Mercurial > repos > bgruening > fpocket

annotate test-data/2brc_info.txt @ 0:4cd02040265c draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
author bgruening
date Mon, 12 Aug 2019 13:26:50 -0400
parents
children eb097462d74c
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
1 Pocket 1 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
2 Score : 0.408
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
3 Druggability Score : 0.180
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
4 Number of Alpha Spheres : 32
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
5 Total SASA : 96.965
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
6 Polar SASA : 25.715
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
7 Apolar SASA : 71.250
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
8 Volume : 382.870
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
9 Mean local hydrophobic density : 25.556
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
10 Mean alpha sphere radius : 3.999
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
11 Mean alp. sph. solvent access : 0.537
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
12 Apolar alpha sphere proportion : 0.844
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
13 Hydrophobicity score: 61.500
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
14 Volume score: 3.875
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
15 Polarity score: 2
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
16 Charge score : 0
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
17 Proportion of polar atoms: 31.818
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
18 Alpha sphere density : 3.752
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
19 Cent. of mass - Alpha Sphere max dist: 8.155
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
20 Flexibility : 0.497
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
21
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
22 Pocket 2 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
23 Score : 0.369
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
24 Druggability Score : 0.054
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
25 Number of Alpha Spheres : 30
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
26 Total SASA : 86.527
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
27 Polar SASA : 22.523
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
28 Apolar SASA : 64.004
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
29 Volume : 253.729
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
30 Mean local hydrophobic density : 14.875
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
31 Mean alpha sphere radius : 3.824
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
32 Mean alp. sph. solvent access : 0.418
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
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diff changeset
33 Apolar alpha sphere proportion : 0.533
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
34 Hydrophobicity score: 54.333
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
35 Volume score: 4.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
36 Polarity score: 3
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
37 Charge score : -1
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
38 Proportion of polar atoms: 31.818
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
39 Alpha sphere density : 3.241
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
40 Cent. of mass - Alpha Sphere max dist: 7.463
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
41 Flexibility : 0.061
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
42
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
43 Pocket 3 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
44 Score : 0.324
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
45 Druggability Score : 0.026
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
46 Number of Alpha Spheres : 24
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
47 Total SASA : 84.602
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
48 Polar SASA : 21.805
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
49 Apolar SASA : 62.797
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
50 Volume : 303.063
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
51 Mean local hydrophobic density : 13.500
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
52 Mean alpha sphere radius : 3.858
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
53 Mean alp. sph. solvent access : 0.517
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
54 Apolar alpha sphere proportion : 0.667
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
55 Hydrophobicity score: 13.600
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
56 Volume score: 5.600
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
57 Polarity score: 4
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
58 Charge score : 1
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
59 Proportion of polar atoms: 33.333
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
60 Alpha sphere density : 3.743
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
61 Cent. of mass - Alpha Sphere max dist: 8.961
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
62 Flexibility : 0.624
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
63
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
64 Pocket 4 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
65 Score : 0.304
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
66 Druggability Score : 0.023
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
67 Number of Alpha Spheres : 24
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
68 Total SASA : 131.017
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
69 Polar SASA : 37.634
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
70 Apolar SASA : 93.383
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
71 Volume : 454.302
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
72 Mean local hydrophobic density : 11.143
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
73 Mean alpha sphere radius : 4.002
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
74 Mean alp. sph. solvent access : 0.676
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
75 Apolar alpha sphere proportion : 0.583
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
76 Hydrophobicity score: 31.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
77 Volume score: 3.556
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
78 Polarity score: 4
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
79 Charge score : -1
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
80 Proportion of polar atoms: 45.833
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
81 Alpha sphere density : 5.452
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
82 Cent. of mass - Alpha Sphere max dist: 12.168
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
83 Flexibility : 0.430
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
84
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
85 Pocket 5 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
86 Score : 0.242
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
87 Druggability Score : 0.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
88 Number of Alpha Spheres : 25
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
89 Total SASA : 71.098
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
90 Polar SASA : 32.454
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
91 Apolar SASA : 38.644
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
92 Volume : 248.857
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
93 Mean local hydrophobic density : 6.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
94 Mean alpha sphere radius : 4.116
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
95 Mean alp. sph. solvent access : 0.593
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
96 Apolar alpha sphere proportion : 0.280
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
97 Hydrophobicity score: 4.286
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
98 Volume score: 3.857
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
99 Polarity score: 6
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
100 Charge score : 0
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
101 Proportion of polar atoms: 55.556
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
102 Alpha sphere density : 2.064
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
103 Cent. of mass - Alpha Sphere max dist: 4.963
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
104 Flexibility : 0.458
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
105
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
106 Pocket 6 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
107 Score : 0.214
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
108 Druggability Score : 0.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
109 Number of Alpha Spheres : 15
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
110 Total SASA : 60.464
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
111 Polar SASA : 27.858
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
112 Apolar SASA : 32.606
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
113 Volume : 227.733
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
114 Mean local hydrophobic density : 2.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
115 Mean alpha sphere radius : 3.730
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
116 Mean alp. sph. solvent access : 0.433
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
117 Apolar alpha sphere proportion : 0.200
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
118 Hydrophobicity score: 46.667
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
119 Volume score: 4.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
120 Polarity score: 3
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
121 Charge score : 0
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
122 Proportion of polar atoms: 40.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
123 Alpha sphere density : 2.986
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
124 Cent. of mass - Alpha Sphere max dist: 6.120
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
125 Flexibility : 0.447
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
126
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
127 Pocket 7 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
128 Score : 0.173
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
129 Druggability Score : 0.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
130 Number of Alpha Spheres : 19
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
131 Total SASA : 66.915
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
132 Polar SASA : 34.309
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
133 Apolar SASA : 32.606
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
134 Volume : 236.449
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
135 Mean local hydrophobic density : 3.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
136 Mean alpha sphere radius : 4.040
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
137 Mean alp. sph. solvent access : 0.553
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
138 Apolar alpha sphere proportion : 0.211
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
139 Hydrophobicity score: 22.111
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
140 Volume score: 3.889
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
141 Polarity score: 6
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
142 Charge score : 1
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
143 Proportion of polar atoms: 56.250
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
144 Alpha sphere density : 2.154
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
145 Cent. of mass - Alpha Sphere max dist: 5.576
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
146 Flexibility : 0.571
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
147
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
148 Pocket 8 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
149 Score : 0.140
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
150 Druggability Score : 0.001
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
151 Number of Alpha Spheres : 18
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
152 Total SASA : 67.693
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
153 Polar SASA : 33.879
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
154 Apolar SASA : 33.814
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
155 Volume : 222.256
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
156 Mean local hydrophobic density : 7.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
157 Mean alpha sphere radius : 3.970
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
158 Mean alp. sph. solvent access : 0.559
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
159 Apolar alpha sphere proportion : 0.444
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
160 Hydrophobicity score: 19.833
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
161 Volume score: 5.167
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
162 Polarity score: 4
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
163 Charge score : 2
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
164 Proportion of polar atoms: 43.750
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
165 Alpha sphere density : 2.012
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
166 Cent. of mass - Alpha Sphere max dist: 4.964
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
167 Flexibility : 0.333
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
168
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
169 Pocket 9 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
170 Score : 0.133
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
171 Druggability Score : 0.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
172 Number of Alpha Spheres : 17
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
173 Total SASA : 54.304
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
174 Polar SASA : 20.490
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
175 Apolar SASA : 33.814
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
176 Volume : 183.135
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
177 Mean local hydrophobic density : 2.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
178 Mean alpha sphere radius : 4.035
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
179 Mean alp. sph. solvent access : 0.729
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
180 Apolar alpha sphere proportion : 0.176
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
181 Hydrophobicity score: -26.333
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
182 Volume score: 3.667
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
183 Polarity score: 6
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
184 Charge score : -1
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
185 Proportion of polar atoms: 50.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
186 Alpha sphere density : 1.532
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
187 Cent. of mass - Alpha Sphere max dist: 3.484
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
188 Flexibility : 0.621
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
189
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
190 Pocket 10 :
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
191 Score : 0.114
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
192 Druggability Score : 0.001
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
193 Number of Alpha Spheres : 19
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
194 Total SASA : 86.620
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
195 Polar SASA : 32.277
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
196 Apolar SASA : 54.343
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
197 Volume : 190.741
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
198 Mean local hydrophobic density : 6.000
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
199 Mean alpha sphere radius : 3.840
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
200 Mean alp. sph. solvent access : 0.424
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
201 Apolar alpha sphere proportion : 0.368
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
202 Hydrophobicity score: 22.857
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
203 Volume score: 3.857
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
204 Polarity score: 2
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
205 Charge score : -1
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
206 Proportion of polar atoms: 37.500
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
207 Alpha sphere density : 2.412
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
208 Cent. of mass - Alpha Sphere max dist: 5.289
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
209 Flexibility : 0.728
4cd02040265c "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
bgruening
parents:
diff changeset
210