3D Protein structure predicted de novo from evolutionary sequence variation

Debora S. Marks*, Lucy J. Colwell*, Robert Sheridan, Thomas Hopf, Andrea Pagnani, Riccardo Zecchina, Chris Sander
*Joint first

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Appendix A10

For residue pairs <AA_row,AA_column>, side chain constraint was applied between constituent atoms <atom_AA_row,atom_AA_column>
ACDEFGHIKLMNPQRSTVWY
ACB, CBCB, SGCB, OD1CB, OE1CB, CZCB, CACB, CE1CB, CD1CB, NZCB, CD1CB, CECB, OD1CB, CGCB, OE1CB, NH1CB, OGCB, OG1CB, CG1CB, CH2CB, OH
CSG, CBSG, SGSG, OD1SG, OE1SG, CZSG, CASG, CE1SG, CD1SG, NZSG, CD1SG, CESG, OD1SG, CGSG, OE1SG, NH1SG, OGSG, OG1SG, CG1SG, CH2SG, OH
DOD1, CBOD1, SGOD1, OD1OD1, OE1OD1, CZOD1, CAOD1, CE1OD1, CD1OD1, NZOD1, CD1OD1, CEOD1, OD1OD1, CGOD1, OE1OD1, NH1OD1, OGOD1, OG1OD1, CG1OD1, CH2OD1, OH
EOE1, CBOE1, SGOE1, OD1OE1, OE1OE1, CZOE1, CAOE1, CE1OE1, CD1OE1, NZOE1, CD1OE1, CEOE1, OD1OE1, CGOE1, OE1OE1, NH1OE1, OGOE1, OG1OE1, CG1OE1, CH2OE1, OH
FCZ, CBCZ, SGCZ, OD1CZ, OE1CZ, CZCZ, CACZ, CE1CZ, CD1CZ, NZCZ, CD1CZ, CECZ, OD1CZ, CGCZ, OE1CZ, NH1CZ, OGCZ, OG1CZ, CG1CZ, CH2CZ, OH
GCA, CBCA, SGCA, OD1CA, OE1CA, CZCA, CACA, CE1CA, CD1CA, NZCA, CD1CA, CECA, OD1CA, CGCA, OE1CA, NH1CA, OGCA, OG1CA, CG1CA, CH2CA, OH
HCE1, CBCE1, SGCE1, OD1CE1, OE1CE1, CZCE1, CACE1, CE1CE1, CD1CE1, NZCE1, CD1CE1, CECE1, OD1CE1, CGCE1, OE1CE1, NH1CE1, OGCE1, OG1CE1, CG1CE1, CH2CE1, OH
ICD1, CBCD1, SGCD1, OD1CD1, OE1CD1, CZCD1, CACD1, CE1CD1, CD1CD1, NZCD1, CD1CD1, CECD1, OD1CD1, CGCD1, OE1CD1, NH1CD1, OGCD1, OG1CD1, CG1CD1, CH2CD1, OH
KNZ, CBNZ, SGNZ, OD1NZ, OE1NZ, CZNZ, CANZ, CE1NZ, CD1NZ, NZNZ, CD1NZ, CENZ, OD1NZ, CGNZ, OE1NZ, NH1NZ, OGNZ, OG1NZ, CG1NZ, CH2NZ, OH
LCD1, CBCD1, SGCD1, OD1CD1, OE1CD1, CZCD1, CACD1, CE1CD1, CD1CD1, NZCD1, CD1CD1, CECD1, OD1CD1, CGCD1, OE1CD1, NH1CD1, OGCD1, OG1CD1, CG1CD1, CH2CD1, OH
MCE, CBCE, SGCE, OD1CE, OE1CE, CZCE, CACE, CE1CE, CD1CE, NZCE, CD1CE, CECE, OD1CE, CGCE, OE1CE, NH1CE, OGCE, OG1CE, CG1CE, CH2CE, OH
NOD1, CBOD1, SGOD1, OD1OD1, OE1OD1, CZOD1, CAOD1, CE1OD1, CD1OD1, NZOD1, CD1OD1, CEOD1, OD1OD1, CGOD1, OE1OD1, NH1OD1, OGOD1, OG1OD1, CG1OD1, CH2OD1, OH
PCG, CBCG, SGCG, OD1CG, OE1CG, CZCG, CACG, CE1CG, CD1CG, NZCG, CD1CG, CECG, OD1CG, CGCG, OE1CG, NH1CG, OGCG, OG1CG, CG1CG, CH2CG, OH
QOE1, CBOE1, SGOE1, OD1OE1, OE1OE1, CZOE1, CAOE1, CE1OE1, CD1OE1, NZOE1, CD1OE1, CEOE1, OD1OE1, CGOE1, OE1OE1, NH1OE1, OGOE1, OG1OE1, CG1OE1, CH2OE1, OH
RNH1, CBNH1, SGNH1, OD1NH1, OE1NH1, CZNH1, CANH1, CE1NH1, CD1NH1, NZNH1, CD1NH1, CENH1, OD1NH1, CGNH1, OE1NH1, NH1NH1, OGNH1, OG1NH1, CG1NH1, CH2NH1, OH
SOG, CBOG, SGOG, OD1OG, OE1OG, CZOG, CAOG, CE1OG, CD1OG, NZOG, CD1OG, CEOG, OD1OG, CGOG, OE1OG, NH1OG, OGOG, OG1OG, CG1OG, CH2OG, OH
TOG1, CBOG1, SGOG1, OD1OG1, OE1OG1, CZOG1, CAOG1, CE1OG1, CD1OG1, NZOG1, CD1OG1, CEOG1, OD1OG1, CGOG1, OE1OG1, NH1OG1, OGOG1, OG1OG1, CG1OG1, CH2OG1, OH
VCG1, CBCG1, SGCG1, OD1CG1, OE1CG1, CZCG1, CACG1, CE1CG1, CD1CG1, NZCG1, CD1CG1, CECG1, OD1CG1, CGCG1, OE1CG1, NH1CG1, OGCG1, OG1CG1, CG1CG1, CH2CG1, OH
WCH2, CBCH2, SGCH2, OD1CH2, OE1CH2, CZCH2, CACH2, CE1CH2, CD1CH2, NZCH2, CD1CH2, CECH2, OD1CH2, CGCH2, OE1CH2, NH1CH2, OGCH2, OG1CH2, CG1CH2, CH2CH2, OH
YOH, CBOH, SGOH, OD1OH, OE1OH, CZOH, CAOH, CE1OH, CD1OH, NZOH, CD1OH, CEOH, OD1OH, CGOH, OE1OH, NH1OH, OGOH, OG1OH, CG1OH, CH2OH, OH