3CUP

crystal structure of the mhc class ii molecule i-ag7 in complex with the peptide gad221-235

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 226
  • Norm. En. per Res.: -6.2096
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-265.8322	-142.9553	-994.572	-1403.3595	226	59	12	35947	12	75	79

Interface residues

• A-B: ALA100B, ALA125B, ALA2A, ALA58B, ALA64A, ALA65A, ALA78B, ALA82A, ALA86A, ARG141A, ARG149B, ARG225B, ARG23B, ARG25B, ARG29B, ARG34B, ARG39B, ARG44A, ARG55B, ARG5B, ARG76A, ARG80B, ARG93B, ARG94B, ASN103A, ASN111A, ASN140A, ASN150B, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN98B, ASP121B, ASP142A, ASP152B, ASP18A, ASP27A, ASP29A, ASP3A, ASP41B, ASP43B, CYS117B, CYS15B, CYS79B, GLN101A, GLN10B, GLN146B, GLN14A, GLN156B, GLN21A, GLN50A, GLN57A, GLN61A, GLU14B, GLU1A, GLU226B, GLU25A, GLU30A, GLU35B, GLU36B, GLU47A, GLU4B, GLU52B, GLU55A, GLU66A, GLU74B, GLU85A, GLU85B, GLU87B, GLU95B, GLY13B, GLY151B, GLY17A, GLY20A, GLY20B, GLY229B, GLY232B, GLY233B, GLY235B, GLY236B, GLY28A, GLY49A, GLY54B, GLY58A, GLY59A, GLY6A, GLY71A, GLY9A, HIS143A, HIS146A, HIS167A, HIS24A, HIS4A, HIS56B, HIS68A, HIS6B, HIS81B, HIS9B, ILE101B, ILE106A, ILE112A, ILE148B, ILE19A, ILE1A, ILE227B, ILE228B, ILE24B, ILE31B, ILE52A, ILE63A, ILE72A, LEU138A, LEU148A, LEU158B, LEU26B, LEU31A, LEU38B, LEU45A, LEU51A, LEU53A, LEU53B, LEU60A, LEU70A, LEU73A, LEU92B, LEU94B, LEU98A, LYS126B, LYS12B, LYS222B, LYS223B, LYS67A, LYS75A, LYS94A, MET224B, PHE108A, PHE113A, PHE11B, PHE122B, PHE145A, PHE155B, PHE17B, PHE26A, PHE32A, PHE48A, PHE54A, PHE79A, PHE7A, PHE7B, PHE92A, PRO114A, PRO115A, PRO124B, PRO16A, PRO231B, PRO46A, PRO56A, PRO81A, PRO89B, PRO93A, PRO96A, SER102B, SER118B, SER136A, SER144A, SER149A, SER15A, SER234B, SER57B, SER77A, SER91B, SER95A, THR104A, THR10A, THR11A, THR120B, THR135A, THR154B, THR18B, THR21B, THR23A, THR28B, THR41A, THR51B, THR74A, THR80A, THR83A, THR86B, THR90A, THR90B, TRP153B, TRP168A, TRP230B, TRP43A, TYR123B, TYR133A, TYR13A, TYR150A, TYR16B, TYR22A, TYR30B, TYR32B, TYR37B, TYR60B, TYR61B, TYR66B, TYR83B, TYR8A, VAL116A, VAL116B, VAL119B, VAL12A, VAL139A, VAL157B, VAL27B, VAL34A, VAL50B, VAL5A, VAL88B, VAL8B, VAL97A, VAL99B