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#
# $RCSfile: AminoAcidsData.csv,v $
# $Date: 2015/02/28 20:48:22 $
# $Revision: 1.20 $
#
# Author: Manish Sud <[e-mail]>
#
# Copyright (C) 2015 Manish Sud. All rights reserved.
#
# This file is part of MayaChemTools.
#
# MayaChemTools is free software; you can redistribute it and/or modify it under
# the terms of the GNU Lesser General Public License as published by the Free
# Software Foundation; either version 3 of the License, or (at your option) any
# later version.
#
# MayaChemTools is distributed in the hope that it will be useful, but without
# any warranty; without even the implied warranty of merchantability of fitness
# for a particular purpose.  See the GNU Lesser General Public License for more
# details.
#
# You should have received a copy of the GNU Lesser General Public License
# along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or
# write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,
# Boston, MA, 02111-1307, USA.
#
#
# Original data sources:
#     o http://www.expasy.ch
#            o http://www.expasy.ch/cgi-bin/protscale.pl
#            o http://www.expasy.ch/tools/pscale/<PropertyName>.html
#     o Various other web sites and text books...
#
# Notes:
#     o Data file generated using a set of home-grown web crawling and
#       data processing scripts developed in Perl
#     o Data validation performed by manual spot checks and Perl scripts
#
#
"ThreeLetterCode","OneLetterCode","AminoAcid","DNACodons","RNACodons","AcidicBasic","PolarNonpolar","Charged","Aromatic","HydrophobicHydophilic","IsoelectricPoint","pKCOOH","pKNH3+","ChemicalFormula","MolecularWeight","ExactMass","ChemicalFormulaMinusH2O","MolecularWeightMinusH2O(18.01524)","ExactMassMinusH2O(18.01056)","vanderWaalsVolume","%AccessibleResidues","%BuriedResidues","AlphaHelixChouAndFasman","AlphaHelixDeleageAndRoux","AlphaHelixLevitt","AminoAcidsComposition","AminoAcidsCompositionInSwissProt","AntiparallelBetaStrand","AverageAreaBuried","AverageFlexibility","BetaSheetChouAndFasman","BetaSheetDeleageAndRoux","BetaSheetLevitt","BetaTurnChouAndFasman","BetaTurnDeleageAndRoux","BetaTurnLevitt","Bulkiness","CoilDeleageAndRoux","HPLCHFBARetention","HPLCRetentionAtpH2.1","HPLCRetentionAtpH7.4","HPLCTFARetention","HydrophobicityAbrahamAndLeo","HydrophobicityBlack","HydrophobicityBullAndBreese","HydrophobicityChothia","HydrophobicityEisenbergAndOthers","HydrophobicityFauchereAndOthers","HydrophobicityGuy","HydrophobicityHPLCAtpH3.4Cowan","HydrophobicityHPLCAtpH7.5Cowan","HydrophobicityHPLCParkerAndOthers","HydrophobicityHPLCWilsonAndOthers","HydrophobicityHoppAndWoods","HydrophobicityJanin","HydrophobicityKyteAndDoolittle","HydrophobicityManavalanAndOthers","HydrophobicityMiyazawaAndOthers","HydrophobicityOMHSweetAndOthers","HydrophobicityRaoAndArgos","HydrophobicityRfMobility","HydrophobicityRoseAndOthers","HydrophobicityRoseman","HydrophobicityWellingAndOthers","HydrophobicityWolfendenAndOthers","ParallelBetaStrand","PolarityGrantham","PolarityZimmerman","RatioHeteroEndToSide","RecognitionFactors","Refractivity","RelativeMutability","TotalBetaStrand","LinearStructure","LinearStructureAtpH7.4"
"Ala","A","Alanine","GCT, GCC, GCA, GCG","GCA, GCC, GCG, GCU","Neutral","Non-polar","Neutral","No","In between","6.01","2.35","9.87","C3H7O2N","89.09404","89.04767","C3H5ON","71.0788","71.03711","67","6.600","11.200","1.420","1.489","1.290","8.300","7.800","0.900","86.600","0.360","0.830","0.709","0.900","0.660","0.788","0.770","11.500","0.824","3.900","-0.100","0.500","7.300","0.440","0.616","0.610","0.380","0.620","0.310","0.100","0.420","0.350","2.100","-0.300","-0.500","0.300","1.800","12.970","5.330","-0.400","1.360","5.100","0.740","0.390","1.150","1.940","1.000","8.100","0.000","0.000","78.000","4.340","100.000","0.920","CH3--CH(NH2)--COOH","CH3--CH(NH3+)--COO-"
"Arg","R","Arginine","CGT, CGC, CGA, CGG, AGA, AGG","AGA, AGG, CGA, CGC, CGG, CGU","Basic","Polar","Positive","No","Hydrophilic","10.76","1.82","8.99","C6H14O2N4","174.20274","174.11167","C6H12ON4","156.1875","156.10111","148","4.500","0.500","0.980","1.224","0.960","5.700","5.290","1.020","162.200","0.530","0.930","0.920","0.990","0.950","0.912","0.880","14.280","0.893","3.200","-4.500","0.800","-3.600","-2.420","0.000","0.690","0.010","-2.530","-1.010","1.910","-1.560","-1.500","4.200","-1.100","3.000","-1.400","-4.500","11.720","4.180","-0.590","0.150","2.000","0.640","-3.950","0.580","-19.920","0.680","10.500","52.000","0.650","95.000","26.660","65.000","0.930","HN==C(NH2)--NH--CH2--CH2--CH2--CH(NH2)--COOH","H2N+==C(NH2)--NH--CH2--CH2--CH2--CH(NH3+)--COO-"
"Asn","N","Asparagine","AAT, AAC","AAC, AAU","Neutral","Polar","Neutral","No","Hydrophilic","5.41","2.14","8.72","C4H8O3N2","132.11904","132.05349","C4H6O2N2","114.1038","114.04293","96","6.700","2.900","0.670","0.772","0.900","4.400","4.220","0.620","103.300","0.460","0.890","0.604","0.760","1.560","1.572","1.280","12.820","1.167","-2.800","-1.600","0.800","-5.700","-1.320","0.236","0.890","0.120","-0.780","-0.600","0.480","-1.030","-0.990","7.000","-0.200","0.200","-0.500","-3.500","11.420","3.710","-0.920","0.330","0.600","0.630","-1.910","-0.770","-9.680","0.540","11.600","3.380","1.330","94.000","13.280","134.000","0.600","H2N--CO--CH2--CH(NH2)--COOH","H2N--CO--CH2--CH(NH3+)--COO-"
"Asp","D","Aspartic acid","GAT, GAC","GAC, GAU","Acidic","Polar","Negative","No","In between","2.85","1.99","9.9","C4H7O4N","133.10384","133.0375","C4H5O3N","115.0886","115.02694","91","7.700","2.900","1.010","0.924","1.040","5.300","5.300","0.470","97.800","0.510","0.540","0.541","0.720","1.460","1.197","1.410","11.680","1.197","-2.800","-2.800","-8.200","-2.900","-0.310","0.028","0.610","0.150","-0.900","-0.770","0.780","-0.510","-2.150","10.000","-1.400","3.000","-0.600","-3.500","10.850","3.590","-1.310","0.110","0.700","0.620","-3.810","0.650","-10.950","0.500","13.000","49.700","1.380","81.000","12.000","106.000","0.480","HOOC--CH2--CH(NH2)--COOH","HOOC--CH2--CH(NH3+)--COO-"
"Cys","C","Cysteine ","TGT, TGC","UGC, UGU","Neutral","Slightly polar","Neutral","No","In between","5.05","1.92","10.7","C3H7O2NS","121.15404","121.01975","C3H5ONS","103.1388","103.00919","86","0.900","4.100","0.700","0.966","1.110","1.700","1.570","1.240","132.300","0.350","1.190","1.191","0.740","1.190","0.965","0.810","13.460","0.953","-14.300","-2.200","-6.800","-9.200","0.580","0.680","0.360","0.500","0.290","1.540","-1.420","0.840","0.760","1.400","6.300","-1.000","0.900","2.500","14.630","7.930","0.170","1.270","0.000","0.910","0.250","-1.200","-1.240","0.910","5.500","1.480","2.750","89.000","35.770","20.000","1.160","HS--CH2--CH(NH2)--COOH","HS--CH2--CH(NH3+)--COO-"
"Gln","Q","Glutamine","CAA, CAG","CAA, CAG","Neutral","Polar","Neutral","No","Hydrophilic","5.65","2.17","9.13","C5H10O3N2","146.14594","146.06914","C5H8O2N2","128.1307","128.05858","109","5.200","1.600","1.110","1.164","1.270","4.000","3.930","1.180","119.200","0.490","1.100","0.840","0.800","0.980","0.997","0.980","14.450","0.947","1.800","-2.500","-4.800","-0.300","-0.710","0.251","0.970","0.070","-0.850","-0.220","0.950","-0.960","-0.930","6.000","-0.200","0.200","-0.700","-3.500","11.760","3.870","-0.910","0.330","1.400","0.620","-1.300","-0.110","-9.380","0.280","10.500","3.530","0.890","87.000","17.560","93.000","0.950","H2N--CO--CH2--CH2--CH(NH2)--COOH","H2N--CO--CH2--CH2--CH(NH3+)--COO-"
"Glu","E","Glutamic acid","GAA, GAG","GAA, GAG","Acidic","Polar","Negative","No","Hydrophilic","3.15","2.1","9.47","C5H9O4N","147.13074","147.05315","C5H7O3N","129.1155","129.04259","114","5.700","1.800","1.510","1.504","1.440","6.200","6.590","0.620","113.900","0.500","0.370","0.567","0.750","0.740","1.149","0.990","13.570","0.761","-7.500","-7.500","-16.900","-7.100","-0.340","0.043","0.510","0.180","-0.740","-0.640","0.830","-0.370","-1.950","7.800","0.000","3.000","-0.700","-3.500","11.890","3.650","-1.220","0.250","1.800","0.620","-2.910","-0.710","-10.200","0.590","12.300","49.900","0.920","78.000","17.260","102.000","0.610","HOOC--CH2--CH2--CH(NH2)--COOH","HOOC--CH2--CH2--CH(NH3+)--COO-"
"Gly","G","Glycine","GGT, GGC, GGA, GGG","GGA, GGC, GGG, GGU","Neutral","Non-polar","Neutral","No","In between","6.06","2.35","9.78","C2H5O2N","75.06714","75.03202","C2H3ON","57.0519","57.02146","48","6.700","11.800","0.570","0.510","0.560","7.200","6.930","0.560","62.900","0.540","0.750","0.657","0.920","1.560","1.860","1.640","3.400","1.251","-2.300","-0.500","0.000","-1.200","0.000","0.501","0.810","0.360","0.480","0.000","0.330","0.000","0.000","5.700","1.200","0.000","0.300","-0.400","12.430","4.480","-0.670","1.090","4.100","0.720","0.000","-1.840","2.390","0.790","9.000","0.000","0.740","84.000","0.000","49.000","0.610","CH2(NH3)--COOH","CH2(NH3+)--COO-"
"His","H","Histidine","CAT, CAC","CAC, CAU","Basic","Polar","Positive","Yes","Hydrophilic","7.6","1.8","9.33","C6H9O2N3","155.15634","155.06947","C6H7ON3","137.1411","137.05891","118","2.500","2.000","1.000","1.003","1.220","2.200","2.270","1.120","155.800","0.320","0.870","0.863","1.080","0.950","0.970","0.680","13.690","1.068","2.000","0.800","-3.500","-2.100","-0.010","0.165","0.690","0.170","-0.400","0.130","-0.500","-2.280","-0.650","2.100","-1.300","-0.500","-0.100","-3.200","12.160","5.100","-0.640","0.680","1.600","0.780","-0.640","3.120","-10.270","0.380","10.400","51.600","0.580","84.000","21.810","66.000","0.930","N*H--CH==N--CH==C*--CH2--CH(NH2)--COOH","N*H--CH==NH+--CH==C*--CH2--CH(NH3+)--COO-"
"Ile","I","Isoleucine","ATT, ATC, ATA","AUA, AUC, AUU","Neutral","Non-polar","Neutral","No","Hydophobic","6.05","2.32","9.76","C6H13O2N","131.17464","131.09462","C6H11ON","113.1594","113.08406","124","2.800","8.600","1.080","1.003","0.970","5.200","5.910","1.540","158.000","0.460","1.600","1.799","1.450","0.470","0.240","0.510","21.400","0.886","11.000","11.800","13.900","6.600","2.460","0.943","-1.450","0.600","1.380","1.800","-1.130","1.810","1.830","-8.000","4.300","-1.800","0.700","4.500","15.670","8.830","1.250","1.440","9.300","0.880","1.820","-2.920","2.150","2.600","5.200","0.130","0.000","88.000","19.060","96.000","1.810","CH3--CH2--CH(CH3)--CH(NH2)--COOH","CH3--CH2--CH(CH3)--CH(NH3+)--COO-"
"Leu","L","Leucine","CTT, CTC, CTA, CTG, TTA, TTG","UUA, UUG, CUA, CUC, CUG, CUU","Neutral","Non-polar","Neutral","No","Hydophobic","6.01","2.33","9.74","C6H13O2N","131.17464","131.09462","C6H11ON","113.1594","113.08406","124","4.800","11.700","1.210","1.236","1.300","9.000","9.620","1.260","164.100","0.370","1.300","1.261","1.020","0.590","0.670","0.580","21.400","0.810","15.000","10.000","8.800","20.000","2.460","0.943","-1.650","0.450","1.060","1.700","-1.180","1.800","1.800","-9.200","6.600","-1.800","0.500","3.800","14.900","8.470","1.220","1.470","10.000","0.850","1.820","0.750","2.280","1.420","4.900","0.130","0.000","85.000","18.780","40.000","1.300","(CH3)2--CH--CH2--CH(NH2)--COOH","(CH3)2--CH--CH2--CH(NH3+)--COO-"
"Lys","K","Lysine","AAA, AAG","AAA, AAG","Basic","Polar","Positive","No","Hydrophilic","9.6","2.16","9.06","C6H14O2N2","146.18934","146.10552","C6H12ON2","128.1741","128.09496","135","10.300","0.500","1.160","1.172","1.230","5.700","5.930","0.740","115.500","0.470","0.740","0.721","0.770","1.010","1.302","0.960","15.710","0.897","-2.500","-3.200","0.100","-3.700","-2.450","0.283","0.460","0.030","-1.500","-0.990","1.400","-2.030","-1.540","5.700","-3.600","3.000","-1.800","-3.900","11.360","2.950","-0.670","0.090","1.300","0.520","-2.770","2.060","-9.520","0.590","11.300","49.500","0.330","87.000","21.290","56.000","0.700","H2N--CH2--CH2--CH2--CH2--CH(NH2)--COOH","H3N+--CH2--CH2--CH2--CH2--CH(NH3+)--COO-"
"Met","M","Methionine","ATG (or Start)","AUG (or Start)","Neutral","Non-polar","Neutral","No","Hydophobic","5.74","2.13","9.28","C5H11O2NS","149.20784","149.05105","C5H9ONS","131.1926","131.04049","124","1.000","1.900","1.450","1.363","1.470","2.400","2.370","1.090","172.900","0.300","1.050","1.210","0.970","0.600","0.436","0.410","16.250","0.810","4.100","7.100","4.800","5.600","1.100","0.738","-0.660","0.400","0.640","1.230","-1.590","1.180","1.100","-4.200","2.500","-1.300","0.400","1.900","14.390","8.950","1.020","1.420","8.700","0.850","0.960","-3.850","-1.480","1.490","5.700","1.430","0.000","80.000","21.640","94.000","1.190","CH3--S--CH2--CH2--CH(NH2)--COOH","CH3--S--CH2--CH2--CH(NH3+)--COO-"
"Phe","F","Phenylalanine","TTT, TTC","UUC, UUU","Neutral","Non-polar","Neutral","Yes","Hydophobic","5.49","2.2","9.31","C9H11O2N","165.19184","165.07897","C9H9ON","147.1766","147.06841","135","2.400","5.100","1.130","1.195","1.070","3.900","4.020","1.230","194.100","0.310","1.380","1.393","1.320","0.600","0.624","0.590","19.800","0.797","14.700","13.900","13.200","19.200","2.540","1.000","-1.520","0.500","1.190","1.790","-2.120","1.740","1.690","-9.200","7.500","-2.500","0.500","2.800","14.000","9.030","1.920","1.570","9.600","0.880","2.270","-1.410","-0.760","1.300","5.200","0.350","0.000","81.000","29.400","41.000","1.250","Ph--CH2--CH(NH2)--COOH","Ph--CH2--CH(NH3+)--COO-"
"Pro","P","Proline","CCT, CCC, CCA, CCG","CCA, CCC, CCG, CCU","Neutral","Non-polar","Neutral","No","In between","6.3","1.95","10.64","C5H9O2N","115.13194","115.06332","C5H7ON","97.1167","97.05276","90","4.800","2.700","0.570","0.492","0.520","5.100","4.850","0.420","92.900","0.510","0.550","0.354","0.640","1.520","1.415","1.910","17.430","1.540","5.600","8.000","6.100","5.100","1.290","0.711","-0.170","0.180","0.120","0.720","0.730","0.860","0.840","2.100","2.200","0.000","-0.300","-1.600","11.370","3.870","-0.490","0.540","4.900","0.640","0.990","-0.530","0.000","0.350","8.000","1.580","0.390","91.000","10.930","56.000","0.400","N*H--CH2--CH2--CH2--C*H--COOH","N*H2+--CH2--CH2--CH2--C*H--COO-"
"Ser","S","Serine","TCT, TCC, TCA, TCG, AGT, AGC","AGC, AGU, UCA, UCC, UCG, UCU","Neutral","Polar","Neutral","No","In between","5.68","2.19","9.21","C3H7O3N","105.09344","105.04259","C3H5O2N","87.0782","87.03203","73","9.400","8.000","0.770","0.739","0.820","6.900","6.890","0.870","85.600","0.510","0.750","0.928","0.950","1.430","1.316","1.320","9.470","1.130","-3.500","-3.700","1.200","-4.100","-0.840","0.359","0.420","0.220","-0.180","-0.040","0.520","-0.640","-0.630","6.500","-0.600","0.300","-0.100","-0.800","11.230","4.090","-0.550","0.970","3.100","0.660","-1.240","-0.260","-5.060","0.700","9.200","1.670","1.420","107.000","6.350","120.000","0.820","HO--CH2--CH(NH2)--COOH","HO--CH2--CH(NH3+)--COO-"
"Thr","T","Threonine","ACT, ACC, ACA, ACG","ACA, ACC, ACG, ACU","Neutral","Polar","Neutral","No","In between","5.6","2.09","9.1","C4H9O3N","119.12034","119.05824","C4H7O2N","101.1051","101.04768","93","7.000","4.900","0.830","0.785","0.820","5.800","5.460","1.300","106.500","0.440","1.190","1.221","1.210","0.960","0.739","1.040","15.770","1.148","1.100","1.500","2.700","0.800","-0.410","0.450","0.290","0.230","-0.050","0.260","0.070","-0.260","-0.270","5.200","-2.200","-0.400","-0.200","-0.700","11.690","4.490","-0.280","1.080","3.500","0.700","-1.000","-0.450","-4.880","0.590","8.600","1.660","0.710","93.000","11.010","97.000","1.120","CH3--CH(OH)--CH(NH2)--COOH","CH3--CH(OH)--CH(NH3+)--COO-"
"Trp","W","Tryptophan","TGG","UGG","Neutral","Slightly polar","Neutral","Yes","In between","5.89","2.46","9.41","C11H12O2N2","204.22844","204.08987","C11H10ON2","186.2132","186.07931","163","1.400","2.200","1.080","1.090","0.990","1.300","1.160","1.750","224.600","0.310","1.370","1.306","1.140","0.960","0.546","0.760","21.670","0.941","17.800","18.100","14.900","16.300","2.560","0.878","-1.200","0.270","0.810","2.250","-0.510","1.460","1.350","-10.000","7.900","-3.400","0.300","-0.900","13.930","7.660","0.500","1.000","9.200","0.850","2.130","-1.140","-5.880","0.890","5.400","2.100","0.130","104.000","42.530","18.000","1.540","Ph*--NH--CH=C*--CH2--CH(NH2)--COOH","Ph*--NH--CH==C*--CH2--CH(NH3+)--COO-"
"Tyr","Y","Tyrosine","TAT, TAC","UAC, UAU","Neutral","Polar","Neutral","Yes","In between","5.64","2.2","9.21","C9H11O3N","181.19124","181.07389","C9H9O2N","163.176","163.06333","141","5.100","2.600","0.690","0.787","0.720","3.200","3.090","1.680","177.700","0.420","1.470","1.266","1.250","1.140","0.795","1.050","18.030","1.109","3.800","8.200","6.100","5.900","1.630","0.880","-1.430","0.150","0.260","0.960","-0.210","0.510","0.390","-1.900","7.100","-2.300","-0.400","-1.300","13.420","5.890","1.670","0.830","8.000","0.760","1.470","0.130","-6.110","1.080","6.200","1.610","0.200","84.000","31.530","41.000","1.530","HO--Ph--CH2--CH(NH2)--COOH","HO--Ph--CH2--CH(NH3+)--COO-"
"Val","V","Valine","GTT, GTC, GTA, GTG","GUA, GUC, GUG, GUU","Neutral","Non-polar","Neutral","No","Hydophobic","6","2.39","9.74","C5H11O2N","117.14784","117.07897","C5H9ON","99.1326","99.06841","105","4.500","12.900","1.060","0.990","0.910","6.600","6.690","1.530","141.000","0.390","1.700","1.965","1.490","0.500","0.387","0.470","21.570","0.772","2.100","3.300","2.700","3.500","1.730","0.825","-0.750","0.540","1.080","1.220","-1.270","1.340","1.320","-3.700","5.900","-1.500","0.600","4.200","15.710","7.630","0.910","1.370","8.500","0.860","1.300","-0.130","1.990","2.630","5.900","0.130","0.000","89.000","13.920","74.000","1.810","(CH3)2--CH--CH(NH2)--COOH","(CH3)2--CH--CH(NH3+)--COO-"