3L6F

structure of mhc class ii molecule hla-dr1 complexed with phosphopeptide mart-1

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 216
  • Norm. En. per Res.: -5.3158
• Hub Node: A(2)

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	-222.187	-96.7542	-829.263	-1148.2041	216	39	11	29600	11	71	57
A-C	-75.6526	-0.7045	-175.628	-251.9851	53	10	6	6256	0	6	6
B-C	-12.3942	-18.7506	-172.948	-204.0928	56	14	5	6026	0	13	14

Interface residues

• A-B: ALA10A, ALA49B, ALA52A, ALA58B, ALA68A, ARG140A, ARG146A, ARG164A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG71B, ARG76A, ARG80B, ARG93B, ASN103A, ASN118A, ASN150B, ASN15A, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN94A, ASP142A, ASP152B, ASP171A, ASP17A, ASP25A, ASP27A, ASP29A, ASP2B, ASP57B, ASP66A, CB5.88400-68.22213, CB9.40478-41.46217, CB9.86440-35.96885, CYS117B, CYS15B, CYS30B, CYS79B, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU11A, GLU141A, GLU14B, GLU166A, GLU172A, GLU21A, GLU22B, GLU28B, GLU30A, GLU35B, GLU36B, GLU3A, GLU3A5, GLU47A, GLU4A, GLU52B, GLU59B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, GLY169A, GLY1B, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY84B, GLY86B, HIS143A, HIS149A, HIS167A, HIS16B, HIS5A, HIS81B, ILE106A, ILE148B, ILE31A, ILE31B, ILE63A, ILE72A, ILE7A, ILE82A, ILE8A, LEU11B, LEU138A, LEU144A, LEU147B, LEU14A, LEU158B, LEU170A, LEU26B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LEU99A, LYS105B, LYS111A, LYS12B, LYS147A, LYS67A, LYS75A, LYS98B, MET0B, MET23A, MET73A, PHE108A, PHE112A, PHE122B, PHE12A, PHE13B, PHE145A, PHE148A, PHE155B, PHE17B, PHE180A, PHE18B, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PHE7B, PHE89B, PRO114A, PRO115A, PRO124B, PRO139A, PRO16A, PRO173A, PRO56B, PRO5B, PRO81A, PRO96A, SER118B, SER120B, SER19A, SER37B, SER53A, SER77A, SER88B, SER95A, THR100B, THR113A, THR135A, THR145B, THR154B, THR157B, THR21B, THR3B, THR51B, THR74A, THR80A, THR83A, THR90A, THR90B, THR93A, TRP153B, TRP168A, TRP178A, TRP43A, TRP61B, TRP9B, TYR102B, TYR123B, TYR13A, TYR150A, TYR32B, TYR60B, TYR78B, TYR79A, TYR83B, VAL101B, VAL104A, VAL116A, VAL116B, VAL117A, VAL119B, VAL165A, VAL24B, VAL38B, VAL50B, VAL65A, VAL6A, VAL85A, VAL85B, VAL91A, VAL91B, VAL95B, VAL97A, VAL99B
• A-C: ALA10C, ALA1C, ALA4C, ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG50A, ARG76A, ASN62A, ASN69A, ASP25A, ASP66A, GLN12C, GLN57A, GLN9A, GLU11A, GLU11C, GLU55A, GLU6C, GLY49A, GLY58A, ILE31A, ILE63A, ILE72A, ILE7A, LEU60A, LEU70A, LEU8C, LYS67A, LYS75A, LYS7C, MET73A, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PRO14C, PRO15C, PRO2C, PRO3C, SER13C, SER53A, THR41A, TRP43A, TYR5C, VAL34A, VAL65A
• B-C: ALA10C, ALA4C, ALA58B, ALA73B, ALA74B, ARG55B, ARG71B, ASN82B, ASP57B, CYS15B, CYS30B, CYS79B, GLN12C, GLN64B, GLN70B, GLU11C, GLU14B, GLU28B, GLU59B, GLU6C, GLU87B, GLY54B, GLY84B, GLY86B, HIS81B, LEU11B, LEU26B, LEU27B, LEU53B, LEU67B, LEU68B, LEU8C, LYS12B, LYS7C, PHE13B, PHE40B, PHE89B, PRO14C, PRO15C, PRO2C, PRO3C, PRO56B, SER13C, THR77B, THR90B, TRP153B, TRP61B, TRP9B, TYR47B, TYR5C, TYR60B, TYR78B, TYR83B, VAL38B, VAL75B, VAL85B