Mercurial > repos > agpetit > calculate_diameter
view test-data/calculate_pore_diameter_aqp.log @ 10:afd0260e676f draft
"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit 3111e03da3d8644ceaf94e9796f6c4206d3fe440-dirty"
| author | agpetit |
|---|---|
| date | Tue, 07 Jun 2022 12:04:45 +0000 |
| parents | e227d80e53be |
| children |
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INFO - verbose mode on INFO - Load universe : <Universe with 311580 atoms> INFO - Function runForAllFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is None INFO - The fourth input parameter is None INFO - The fifth input parameter is <Universe with 311580 atoms> INFO - Function runForAllFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is 9 INFO - The fourth input parameter is <Universe with 311580 atoms> INFO - The number of frame is 11 INFO - The dimensions of the table of means and standard deviation are as follows (11, 9) INFO - Frame 0 INFO - < Timestep 0 with unit cell dimensions [115.80051 115.80051 225.22 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([63.65, 70.4 , 63.83], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([63.65, 70.4 , 63.83], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([63.65, 70.4 , 63.83], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR2,AQP1,P1': array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR1,AQP1,P2': array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR2,AQP1,P2': array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR1,AQP1,P3': array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR2,AQP1,P3': array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR1,AQP1,P4': array([63.65, 70.4 , 63.83], dtype=float32), 'ArR2,AQP1,P4': array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR1,AQP2,P1': array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR2,AQP2,P1': array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR2,AQP1,P1': array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR1,AQP1,P2': array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR2,AQP1,P2': array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR1,AQP1,P3': array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR2,AQP1,P3': array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR1,AQP1,P4': array([63.65, 70.4 , 63.83], dtype=float32), 'ArR2,AQP1,P4': array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR1,AQP2,P1': array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR2,AQP2,P1': array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [71.590004 52.08 64.29 ] INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.090004 60.330006 61.75 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.592798 INFO - Key ArR1 : ArR1,AQP1,P2 value : [45.49 62.140003 63.670002] INFO - Key ArR2 : ArR2,AQP1,P2 value : [35.210003 54.210007 61.83 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.112926 INFO - Key ArR1 : ArR1,AQP1,P3 value : [53.54 44.090004 63.880005] INFO - Key ArR2 : ArR2,AQP1,P3 value : [61.63 34.39 61.450005] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.862469 INFO - Key ArR1 : ArR1,AQP1,P4 value : [63.65 70.4 63.83] INFO - Key ArR2 : ArR2,AQP1,P4 value : [55.39 81.36001 61.270004] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.960765 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.76 53.93 177.07] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.729996 62.730003 174.47 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.549939 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.47 63.370003 176.26001 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34. 55.300003 174.39001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.350757 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.700005 45.070004 175.95001 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 61.170002 35.29 174.96 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 12.975724 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.340004 72.01 176.75002 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.690002 82.07001 174.12001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.525648 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.592798, 'ArR1-ArR2,AQP1,P2': 13.112926, 'ArR1-ArR2,AQP1,P3': 12.862469, 'ArR1-ArR2,AQP1,P4': 13.960765, 'ArR1-ArR2,AQP2,P1': 13.549939, 'ArR1-ArR2,AQP2,P2': 13.350757, 'ArR1-ArR2,AQP2,P3': 12.975724, 'ArR1-ArR2,AQP2,P4': 13.525648} INFO - Frame 1 INFO - < Timestep 1 with unit cell dimensions [115.76665 115.76665 225.26328 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([53.97, 44.87, 63.72], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([53.97, 44.87, 63.72], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 54.59, 82.08, 174.02], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.59, 82.08, 174.02], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([53.97, 44.87, 63.72], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.59, 82.08, 174.02], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR2,AQP1,P1': array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR1,AQP1,P2': array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR2,AQP1,P2': array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR1,AQP1,P3': array([53.97, 44.87, 63.72], dtype=float32), 'ArR2,AQP1,P3': array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR1,AQP1,P4': array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR2,AQP1,P4': array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR1,AQP2,P1': array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.59, 82.08, 174.02], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR2,AQP1,P1': array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR1,AQP1,P2': array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR2,AQP1,P2': array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR1,AQP1,P3': array([53.97, 44.87, 63.72], dtype=float32), 'ArR2,AQP1,P3': array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR1,AQP1,P4': array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR2,AQP1,P4': array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR1,AQP2,P1': array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.59, 82.08, 174.02], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [71.920006 52.410004 64.03001 ] INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.61001 60.550003 61.57 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.6596985 INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.130005 62.4 63.670002] INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.230003 54.560005 62.420002] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.690078 INFO - Key ArR1 : ArR1,AQP1,P3 value : [53.97 44.87 63.72] INFO - Key ArR2 : ArR2,AQP1,P3 value : [61.760002 34.600002 61.550003] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.071566 INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.2 70.350006 63.920002] INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.230003 81.32 61.280003] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.814165 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 71.020004 54.230003 177.18001 ] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 81.11 62.100006 174.58 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.057756 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.620003 63.560005 176.62001 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.480003 55.100002 174.29001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.409703 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.390003 45.210003 176.65001 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.920006 35.530003 175.12001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 12.992469 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.68 71.71001 176.72 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 54.59 82.08 174.02] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.426648 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.6596985, 'ArR1-ArR2,AQP1,P2': 12.690078, 'ArR1-ArR2,AQP1,P3': 13.071566, 'ArR1-ArR2,AQP1,P4': 13.814165, 'ArR1-ArR2,AQP2,P1': 13.057756, 'ArR1-ArR2,AQP2,P2': 13.409703, 'ArR1-ArR2,AQP2,P3': 12.992469, 'ArR1-ArR2,AQP2,P4': 13.426648} INFO - Frame 2 INFO - < Timestep 2 with unit cell dimensions [115.84053 115.84053 224.66759 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 54.430004, 81.69 , 173.92 ], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.430004, 81.69 , 173.92 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.430004, 81.69 , 173.92 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR2,AQP1,P1': array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR1,AQP1,P2': array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR2,AQP1,P2': array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR1,AQP1,P3': array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR2,AQP1,P3': array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR1,AQP1,P4': array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR2,AQP1,P4': array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR1,AQP2,P1': array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR1,AQP2,P2': array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.430004, 81.69 , 173.92 ], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR2,AQP1,P1': array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR1,AQP1,P2': array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR2,AQP1,P2': array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR1,AQP1,P3': array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR2,AQP1,P3': array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR1,AQP1,P4': array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR2,AQP1,P4': array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR1,AQP2,P1': array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR1,AQP2,P2': array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.430004, 81.69 , 173.92 ], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [72.28 52.840004 64.66 ] INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.45001 61.4 61.61 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.638374 INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.25 62.900005 64.33 ] INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.13 54.950005 62.710003] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.970786 INFO - Key ArR1 : ArR1,AQP1,P3 value : [54.32 45.36 64.350006] INFO - Key ArR2 : ArR2,AQP1,P3 value : [62.800003 34.22 62.000004] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 14.196216 INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.06 70.87 64.03001] INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.160004 81.71001 61.670002] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.619296 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 71.060005 53.08 176.64001 ] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 81.04 62.22 174.87001] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.64818 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.430004 62.68 176.05002 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.46 55.090004 174.11002 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 12.679616 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.700005 45.2 175.89001 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 61.300003 35.280003 174.21002 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.235888 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.72 71.630005 176.31 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 54.430004 81.69 173.92 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.252913 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.638374, 'ArR1-ArR2,AQP1,P2': 12.970786, 'ArR1-ArR2,AQP1,P3': 14.196216, 'ArR1-ArR2,AQP1,P4': 13.619296, 'ArR1-ArR2,AQP2,P1': 13.64818, 'ArR1-ArR2,AQP2,P2': 12.679616, 'ArR1-ArR2,AQP2,P3': 13.235888, 'ArR1-ArR2,AQP2,P4': 13.252913} INFO - Frame 3 INFO - < Timestep 3 with unit cell dimensions [115.5951 115.5951 225.9352 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.8 , 71.42, 62.99], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.8 , 71.42, 62.99], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 54.490005, 81.65 , 174.41 ], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.490005, 81.65 , 174.41 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.8 , 71.42, 62.99], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.490005, 81.65 , 174.41 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR2,AQP1,P1': array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR1,AQP1,P2': array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR2,AQP1,P2': array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR1,AQP1,P3': array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR2,AQP1,P3': array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR1,AQP1,P4': array([64.8 , 71.42, 62.99], dtype=float32), 'ArR2,AQP1,P4': array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR1,AQP2,P1': array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR2,AQP2,P1': array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR1,AQP2,P3': array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.490005, 81.65 , 174.41 ], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR2,AQP1,P1': array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR1,AQP1,P2': array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR2,AQP1,P2': array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR1,AQP1,P3': array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR2,AQP1,P3': array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR1,AQP1,P4': array([64.8 , 71.42, 62.99], dtype=float32), 'ArR2,AQP1,P4': array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR1,AQP2,P1': array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR2,AQP2,P1': array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR1,AQP2,P3': array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.490005, 81.65 , 174.41 ], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [72.55 53.320004 63.120003] INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.83 61.49 60.400005] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.409908 INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.390003 63.110004 63.530003] INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.54 55.420002 61.650005] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.636972 INFO - Key ArR1 : ArR1,AQP1,P3 value : [54.810005 45.070004 63.2 ] INFO - Key ArR2 : ArR2,AQP1,P3 value : [62.47 34.870003 61.050003] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.935921 INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.8 71.42 62.99] INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.580006 82.32001 60.400005] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.895562 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.39001 53.93 176.86002] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.520004 62.250004 174.88 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.2574415 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.65 63.590004 176.73001 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.24 55.25 174.56001] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.514165 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.630005 45.090004 176.57 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 61.510006 35.300003 174.77002 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.339358 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.250004 71.64001 176.71002 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 54.490005 81.65 174.41 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 12.872748 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.409908, 'ArR1-ArR2,AQP1,P2': 12.636972, 'ArR1-ArR2,AQP1,P3': 12.935921, 'ArR1-ArR2,AQP1,P4': 13.895562, 'ArR1-ArR2,AQP2,P1': 13.2574415, 'ArR1-ArR2,AQP2,P2': 13.514165, 'ArR1-ArR2,AQP2,P3': 13.339358, 'ArR1-ArR2,AQP2,P4': 12.872748} INFO - Frame 4 INFO - < Timestep 4 with unit cell dimensions [115.63762 115.63762 225.58952 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([72.81, 52.61, 64.73], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([72.81, 52.61, 64.73], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([72.81, 52.61, 64.73], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([72.81, 52.61, 64.73], dtype=float32), 'ArR2,AQP1,P1': array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR1,AQP1,P2': array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR2,AQP1,P2': array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR1,AQP1,P3': array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR2,AQP1,P3': array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR1,AQP1,P4': array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR2,AQP1,P4': array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR1,AQP2,P3': array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR1,AQP2,P4': array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR2,AQP2,P4': array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([72.81, 52.61, 64.73], dtype=float32), 'ArR2,AQP1,P1': array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR1,AQP1,P2': array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR2,AQP1,P2': array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR1,AQP1,P3': array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR2,AQP1,P3': array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR1,AQP1,P4': array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR2,AQP1,P4': array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR1,AQP2,P3': array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR1,AQP2,P4': array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR2,AQP2,P4': array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [72.81 52.61 64.73] INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.64 61.550003 61.390003] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.700664 INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.940002 62.910004 64.86001 ] INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.690002 54.560005 63.33 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.308865 INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.280003 44.65 64.53 ] INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.230003 34.550003 62.190002] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.064764 INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.340004 71.23 64.44 ] INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.370003 81.950005 61.75 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.626278 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.73 53.490005 177.70999 ] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.17 62.050003 174.84001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.062306 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.620003 62.910004 177.5 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.25 54.6 175.55] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.431144 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.620003 44.960003 177.49 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 61.4 34.83 175.26001] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.589635 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.74 71.26 177.40002] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 54.210007 81.43001 175.01001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.487104 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.700664, 'ArR1-ArR2,AQP1,P2': 13.308865, 'ArR1-ArR2,AQP1,P3': 13.064764, 'ArR1-ArR2,AQP1,P4': 13.626278, 'ArR1-ArR2,AQP2,P1': 13.062306, 'ArR1-ArR2,AQP2,P2': 13.431144, 'ArR1-ArR2,AQP2,P3': 13.589635, 'ArR1-ArR2,AQP2,P4': 13.487104} INFO - Frame 5 INFO - < Timestep 5 with unit cell dimensions [115.78047 115.78047 225.0325 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([72.58, 52.36, 63.72], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([72.58, 52.36, 63.72], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.96, 80.72, 60.56], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.65 , 81.21001, 173.83002], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.96, 80.72, 60.56], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.65 , 81.21001, 173.83002], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([72.58, 52.36, 63.72], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.96, 80.72, 60.56], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.65 , 81.21001, 173.83002], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([72.58, 52.36, 63.72], dtype=float32), 'ArR2,AQP1,P1': array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR1,AQP1,P2': array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR2,AQP1,P2': array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR1,AQP1,P3': array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR2,AQP1,P3': array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR1,AQP1,P4': array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR2,AQP1,P4': array([56.96, 80.72, 60.56], dtype=float32), 'ArR1,AQP2,P1': array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.65 , 81.21001, 173.83002], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([72.58, 52.36, 63.72], dtype=float32), 'ArR2,AQP1,P1': array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR1,AQP1,P2': array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR2,AQP1,P2': array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR1,AQP1,P3': array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR2,AQP1,P3': array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR1,AQP1,P4': array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR2,AQP1,P4': array([56.96, 80.72, 60.56], dtype=float32), 'ArR1,AQP2,P1': array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.65 , 81.21001, 173.83002], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [72.58 52.36 63.72] INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.990005 60.83 60.790005] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.736593 INFO - Key ArR1 : ArR1,AQP1,P2 value : [47.070004 62.100006 64.310005] INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.940002 54.120003 62.520004] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.019274 INFO - Key ArR1 : ArR1,AQP1,P3 value : [54.83 44.420006 63.79 ] INFO - Key ArR2 : ArR2,AQP1,P3 value : [62.81 34.440002 61.180004] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.041968 INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.03 70.82 63.220005] INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.96 80.72 60.56] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.046476 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 69.92 52.840004 176.54001 ] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 79.86001 60.990005 174.44 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.024452 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 43.920002 62.070004 176.06001 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 33.620003 54.550003 173.52002 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.003536 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.060005 44.160004 175.45 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.850006 34.54 173.74 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.142778 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.190002 70.78001 176.7 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.65 81.21001 173.83002] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.782355 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.736593, 'ArR1-ArR2,AQP1,P2': 13.019274, 'ArR1-ArR2,AQP1,P3': 13.041968, 'ArR1-ArR2,AQP1,P4': 13.046476, 'ArR1-ArR2,AQP2,P1': 13.024452, 'ArR1-ArR2,AQP2,P2': 13.003536, 'ArR1-ArR2,AQP2,P3': 13.142778, 'ArR1-ArR2,AQP2,P4': 13.782355} INFO - Frame 6 INFO - < Timestep 6 with unit cell dimensions [115.77599 115.77599 225.05975 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR2,AQP1,P1': array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR1,AQP1,P2': array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR2,AQP1,P2': array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR1,AQP1,P3': array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR2,AQP1,P3': array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR1,AQP1,P4': array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR2,AQP1,P4': array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR1,AQP2,P1': array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR2,AQP2,P1': array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR1,AQP2,P3': array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR2,AQP1,P1': array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR1,AQP1,P2': array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR2,AQP1,P2': array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR1,AQP1,P3': array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR2,AQP1,P3': array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR1,AQP1,P4': array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR2,AQP1,P4': array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR1,AQP2,P1': array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR2,AQP2,P1': array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR1,AQP2,P3': array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.01 52.500004 63.520004] INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.41 60.670006 60.270004] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.618791 INFO - Key ArR1 : ArR1,AQP1,P2 value : [47.17 62.81 64.170006] INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.93 54.980003 62.350002] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.018404 INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.460007 44.86 63.870003] INFO - Key ArR2 : ArR2,AQP1,P3 value : [62.88 34.670002 61.580006] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.811576 INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.36 71.1 63.390003] INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.500004 81.48001 60.670006] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.301226 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.19 53.520004 176.39 ] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 79.450005 60.980003 174.10002 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 12.109633 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 43.760002 63.100006 176.34001 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.100002 55.06 173.68 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 12.846516 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 51.920006 44.87 175.87 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.930004 34.54 173.81 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.861188 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.320004 71.48 176.29001 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.630005 81.76001 173.51001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.744926 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.618791, 'ArR1-ArR2,AQP1,P2': 13.018404, 'ArR1-ArR2,AQP1,P3': 12.811576, 'ArR1-ArR2,AQP1,P4': 13.301226, 'ArR1-ArR2,AQP2,P1': 12.109633, 'ArR1-ArR2,AQP2,P2': 12.846516, 'ArR1-ArR2,AQP2,P3': 13.861188, 'ArR1-ArR2,AQP2,P4': 13.744926} INFO - Frame 7 INFO - < Timestep 7 with unit cell dimensions [115.571434 115.571434 225.80858 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.290005, 81.69 , 175.05002 ], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.290005, 81.69 , 175.05002 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.290005, 81.69 , 175.05002 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR2,AQP1,P1': array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR1,AQP1,P2': array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR2,AQP1,P2': array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR1,AQP1,P3': array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR2,AQP1,P3': array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR1,AQP1,P4': array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR2,AQP1,P4': array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR1,AQP2,P1': array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR1,AQP2,P3': array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR1,AQP2,P4': array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.290005, 81.69 , 175.05002 ], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR2,AQP1,P1': array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR1,AQP1,P2': array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR2,AQP1,P2': array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR1,AQP1,P3': array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR2,AQP1,P3': array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR1,AQP1,P4': array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR2,AQP1,P4': array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR1,AQP2,P1': array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR1,AQP2,P3': array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR1,AQP2,P4': array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.290005, 81.69 , 175.05002 ], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.26 52.980003 63.800003] INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.600006 61.390003 60.800003] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.661763 INFO - Key ArR1 : ArR1,AQP1,P2 value : [47.640003 62.61 64.18 ] INFO - Key ArR2 : ArR2,AQP1,P2 value : [37.68 54.73 63.100006] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.746077 INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.18 44.940002 64.12 ] INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.820004 34.690002 62.08 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.560006 INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.18 71.3 63.460003] INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.010002 81.79001 60.880005] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.544205 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.12 53.600002 176.74002 ] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.490005 61.760002 174.34 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.412035 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 43.800003 63.14 176.76001 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 33.63 55.200005 174.06 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.181902 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 51.780006 45.010002 176.24 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.760002 35.22 174.65 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.379558 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 61.980003 71.8 176.79001 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.290005 81.69 175.05002 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.2799 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.661763, 'ArR1-ArR2,AQP1,P2': 12.746077, 'ArR1-ArR2,AQP1,P3': 13.560006, 'ArR1-ArR2,AQP1,P4': 13.544205, 'ArR1-ArR2,AQP2,P1': 13.412035, 'ArR1-ArR2,AQP2,P2': 13.181902, 'ArR1-ArR2,AQP2,P3': 13.379558, 'ArR1-ArR2,AQP2,P4': 13.2799} INFO - Frame 8 INFO - < Timestep 8 with unit cell dimensions [115.68408 115.68408 225.56488 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([47.36, 62.93, 63.83], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.36, 62.93, 63.83], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.99, 54.72, 61.96], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.93, 81.47, 174.05], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.99, 54.72, 61.96], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.93, 81.47, 174.05], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.36, 62.93, 63.83], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.99, 54.72, 61.96], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.93, 81.47, 174.05], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR2,AQP1,P1': array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR1,AQP1,P2': array([47.36, 62.93, 63.83], dtype=float32), 'ArR2,AQP1,P2': array([36.99, 54.72, 61.96], dtype=float32), 'ArR1,AQP1,P3': array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR2,AQP1,P3': array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR1,AQP1,P4': array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR2,AQP1,P4': array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR1,AQP2,P1': array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR2,AQP2,P1': array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.93, 81.47, 174.05], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR2,AQP1,P1': array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR1,AQP1,P2': array([47.36, 62.93, 63.83], dtype=float32), 'ArR2,AQP1,P2': array([36.99, 54.72, 61.96], dtype=float32), 'ArR1,AQP1,P3': array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR2,AQP1,P3': array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR1,AQP1,P4': array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR2,AQP1,P4': array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR1,AQP2,P1': array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR2,AQP2,P1': array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.93, 81.47, 174.05], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.15001 52.780003 63.960003] INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.740005 61.260002 60.740005] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.943701 INFO - Key ArR1 : ArR1,AQP1,P2 value : [47.36 62.93 63.83] INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.99 54.72 61.96] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.358065 INFO - Key ArR1 : ArR1,AQP1,P3 value : [54.840004 44.83 63.710003] INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.020004 35.190002 61.510006] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.832848 INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.31 71.39001 63.170006] INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.08 81.72 60.810005] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.416825 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 69.94 53.58 176.64001] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.04001 62.170006 173.84001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.551321 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.08 63.190002 176.42 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 33.800003 55.000004 174.18001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.3331175 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.210003 44.86 176.17001 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.71 34.760002 174.25002 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.339651 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.110004 71.23 176.37001 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.93 81.47 174.05] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.309863 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.943701, 'ArR1-ArR2,AQP1,P2': 13.358065, 'ArR1-ArR2,AQP1,P3': 12.832848, 'ArR1-ArR2,AQP1,P4': 13.416825, 'ArR1-ArR2,AQP2,P1': 13.551321, 'ArR1-ArR2,AQP2,P2': 13.3331175, 'ArR1-ArR2,AQP2,P3': 13.339651, 'ArR1-ArR2,AQP2,P4': 13.309863} INFO - Frame 9 INFO - < Timestep 9 with unit cell dimensions [115.729866 115.729866 225.2261 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34. , 54.45, 173.66], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.750004, 81.850006, 173.68 ], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34. , 54.45, 173.66], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.750004, 81.850006, 173.68 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34. , 54.45, 173.66], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.750004, 81.850006, 173.68 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR2,AQP1,P1': array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR1,AQP1,P2': array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR2,AQP1,P2': array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR1,AQP1,P3': array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR2,AQP1,P3': array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR1,AQP1,P4': array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR2,AQP1,P4': array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR2,AQP2,P1': array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR2,AQP2,P2': array([ 34. , 54.45, 173.66], dtype=float32), 'ArR1,AQP2,P3': array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR1,AQP2,P4': array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR2,AQP2,P4': array([ 53.750004, 81.850006, 173.68 ], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR2,AQP1,P1': array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR1,AQP1,P2': array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR2,AQP1,P2': array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR1,AQP1,P3': array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR2,AQP1,P3': array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR1,AQP1,P4': array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR2,AQP1,P4': array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR2,AQP2,P1': array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR2,AQP2,P2': array([ 34. , 54.45, 173.66], dtype=float32), 'ArR1,AQP2,P3': array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR1,AQP2,P4': array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR2,AQP2,P4': array([ 53.750004, 81.850006, 173.68 ], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.51 52.340004 63.700005] INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.520004 60.58 61.200005] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.20408 INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.71 62.710003 63.560005] INFO - Key ArR2 : ArR2,AQP1,P2 value : [37.010002 54.680004 62.230003] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.662532 INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.58 44.550003 63.550003] INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.560005 33.750004 61.050003] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.659079 INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.43 70.740005 63.320004] INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.190002 81.090004 60.91 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.447236 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.23 53.06 176.21] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 79.850006 61.660004 174.13 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.07023 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.13 62.99 176.08002] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34. 54.45 173.66] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.468667 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.070004 45.100002 175.84001 ] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.670006 34.63 174.22 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.64571 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 61.89 71.47 176.24] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.750004 81.850006 173.68 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.437176 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.20408, 'ArR1-ArR2,AQP1,P2': 12.662532, 'ArR1-ArR2,AQP1,P3': 13.659079, 'ArR1-ArR2,AQP1,P4': 13.447236, 'ArR1-ArR2,AQP2,P1': 13.07023, 'ArR1-ArR2,AQP2,P2': 13.468667, 'ArR1-ArR2,AQP2,P3': 13.64571, 'ArR1-ArR2,AQP2,P4': 13.437176} INFO - Frame 10 INFO - < Timestep 10 with unit cell dimensions [115.69314 115.69314 225.31128 90. 90. 90. ] > INFO - Function runForOneFrame INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The third input parameter is <Universe with 311580 atoms> INFO - Function search_amino_acids_pattern INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270] INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] INFO - The length of the protomer 1 is 79 residues INFO - The length of the protomer 2 is 79 residues INFO - The length of the protomer 3 is 79 residues INFO - The length of the protomer 4 is 79 residues INFO - The length of the protomer 5 is 79 residues INFO - The length of the protomer 6 is 79 residues INFO - The length of the protomer 7 is 79 residues INFO - The length of the protomer 8 is 79 residues INFO - Function create_config_file INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] INFO - AQP1,P1 starts at index 0 and finish at index 78 INFO - AQP1,P2 starts at index 78 and finish at index 157 INFO - AQP1,P3 starts at index 157 and finish at index 236 INFO - AQP1,P4 starts at index 236 and finish at index 315 INFO - AQP2,P1 starts at index 315 and finish at index 394 INFO - AQP2,P2 starts at index 394 and finish at index 473 INFO - AQP2,P3 starts at index 473 and finish at index 552 INFO - AQP2,P4 starts at index 552 and finish at index 631 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] INFO - The fourth input argument is ArR1 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [56] INFO - The final index list is [56] INFO - The key of dictionary is AQP1,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P1 INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR1,AQP1,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [135] INFO - The final index list is [135] INFO - The key of dictionary is AQP1,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P2 INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR1,AQP1,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [214] INFO - The final index list is [214] INFO - The key of dictionary is AQP1,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P3 INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR1,AQP1,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [293] INFO - The final index list is [293] INFO - The key of dictionary is AQP1,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP1,P4 INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR1,AQP1,P4'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [372] INFO - The final index list is [372] INFO - The key of dictionary is AQP2,P1,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P1 INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR1,AQP2,P1'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [451] INFO - The final index list is [451] INFO - The key of dictionary is AQP2,P2,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P2 INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR1,AQP2,P2'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [530] INFO - The final index list is [530] INFO - The key of dictionary is AQP2,P3,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P3 INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR1,AQP2,P3'] INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA INFO - The temporary index list is [609] INFO - The final index list is [609] INFO - The key of dictionary is AQP2,P4,HSD,208 INFO - The selected residue is : (resid 208) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> INFO - The key of next dictionary is ArR1,AQP2,P4 INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR1,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR1,AQP2,P4']} INFO - Function search_amino_acids_pattern INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The input universe is <Universe with 311580 atoms> INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265] INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY'] INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - Function calculate_length_proto INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] INFO - The length of the protomer 1 is 64 residues INFO - The length of the protomer 2 is 64 residues INFO - The length of the protomer 3 is 63 residues INFO - The length of the protomer 4 is 62 residues INFO - The length of the protomer 5 is 64 residues INFO - The length of the protomer 6 is 64 residues INFO - The length of the protomer 7 is 63 residues INFO - The length of the protomer 8 is 62 residues INFO - Function create_config_file INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] INFO - AQP1,P1 starts at index 0 and finish at index 63 INFO - AQP1,P2 starts at index 63 and finish at index 127 INFO - AQP1,P3 starts at index 127 and finish at index 190 INFO - AQP1,P4 starts at index 190 and finish at index 252 INFO - AQP2,P1 starts at index 252 and finish at index 316 INFO - AQP2,P2 starts at index 316 and finish at index 380 INFO - AQP2,P3 starts at index 380 and finish at index 443 INFO - AQP2,P4 starts at index 443 and finish at index 505 INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] INFO - The keys for each section of the settings object are: ['start', 'end'] INFO - Function search_pattern INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY'], dtype=object)] INFO - The second input argument is a configParser object INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] INFO - The fourth input argument is ArR2 INFO - The fourth input argument is <Universe with 311580 atoms> INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [52] INFO - The final index list is [52] INFO - The key of dictionary is AQP1,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P1 INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.42, 60.77, 61.61], dtype=float32), 'ArR2,AQP1,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [116] INFO - The final index list is [116] INFO - The key of dictionary is AQP1,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P2 INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR2,AQP1,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [180] INFO - The final index list is [180] INFO - The key of dictionary is AQP1,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P3 INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR2,AQP1,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [243] INFO - The final index list is [243] INFO - The key of dictionary is AQP1,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP1,P4 INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR2,AQP1,P4'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [305] INFO - The final index list is [305] INFO - The key of dictionary is AQP2,P1,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P1 INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR2,AQP2,P1'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY INFO - The temporary index list is [369] INFO - The final index list is [369] INFO - The key of dictionary is AQP2,P2,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P2 INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR2,AQP2,P2'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY INFO - The temporary index list is [433] INFO - The final index list is [433] INFO - The key of dictionary is AQP2,P3,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P3 INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR2,AQP2,P3'] INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG INFO - The temporary index list is [496] INFO - The final index list is [496] INFO - The key of dictionary is AQP2,P4,ARG,223 INFO - The selected residue is : (resid 223) and name CA INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> INFO - The key of next dictionary is ArR2,AQP2,P4 INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.880005, 81.55 , 174.31001 ], dtype=float32), 'ArR2,AQP2,P4'] INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.42, 60.77, 61.61], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.880005, 81.55 , 174.31001 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - Function search_resid_positions INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.42, 60.77, 61.61], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.880005, 81.55 , 174.31001 ], dtype=float32), 'ArR2,AQP2,P4']} INFO - The input universe is <Universe with 311580 atoms> INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR2,AQP1,P1': array([83.42, 60.77, 61.61], dtype=float32), 'ArR1,AQP1,P2': array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR2,AQP1,P2': array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR1,AQP1,P3': array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR2,AQP1,P3': array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR1,AQP1,P4': array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR2,AQP1,P4': array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR2,AQP2,P3': array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.880005, 81.55 , 174.31001 ], dtype=float32)} INFO - Function calculate_euclidean_distance INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR2,AQP1,P1': array([83.42, 60.77, 61.61], dtype=float32), 'ArR1,AQP1,P2': array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR2,AQP1,P2': array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR1,AQP1,P3': array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR2,AQP1,P3': array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR1,AQP1,P4': array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR2,AQP1,P4': array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR2,AQP2,P3': array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.880005, 81.55 , 174.31001 ], dtype=float32)} INFO - The distance will be calculated betweenArR-ArR INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.21001 52.500004 64.16 ] INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.42 60.77 61.61] INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.384293 INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.82 62.170006 64.100006] INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.81 54.440002 62.340004] INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.769128 INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.5 44.760002 63.980003] INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.4 34.670002 62.29 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.92572 INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.880005 70.920006 63.47 ] INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.010002 81.42 60.9 ] INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.371301 INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.04 53.030006 176.85 ] INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.3 61.530003 174.15001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.594395 INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 43.86 62.620003 176.85 ] INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.280003 54.880005 174.26001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 12.585389 INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.3 44.32 175.76001] INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.930004 34.370003 174.19 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.264401 INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.000004 71.03 176.60002 ] INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.880005 81.55 174.31001 ] INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.48514 INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.384293, 'ArR1-ArR2,AQP1,P2': 12.769128, 'ArR1-ArR2,AQP1,P3': 12.92572, 'ArR1-ArR2,AQP1,P4': 13.371301, 'ArR1-ArR2,AQP2,P1': 13.594395, 'ArR1-ArR2,AQP2,P2': 12.585389, 'ArR1-ArR2,AQP2,P3': 13.264401, 'ArR1-ArR2,AQP2,P4': 13.48514}