3PDO

crystal structure of hla-dr1 with clip102-120

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 228
  • Norm. En. per Res.: -5.3276
• 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	-234.474	-120.3952	-859.828	-1214.6972	228	30	11	31272	10	74	60
A-C	-62.7284	-1.1847	-188.311	-252.2241	61	8	5	6933	0	3	1
B-C	-32.9133	15.7108	-190.215	-207.4175	59	8	4	6149	0	5	5

Interface residues

• A-B: ALA10A, ALA182A, ALA52A, ALA58B, ALA68A, ARG140A, ARG146A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG71B, ARG76A, ARG80B, ARG93B, ARG94B, ASN113B, ASN118A, ASN150B, ASN15A, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN94A, ASP142A, ASP152B, ASP171A, ASP17A, ASP181A, ASP25A, ASP27A, ASP29A, ASP2B, ASP57B, ASP66A, CYS117B, CYS15B, CYS30B, CYS79B, GLN107B, GLN10B, GLN110B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU11A, GLU128B, GLU141A, GLU14B, GLU166A, GLU172A, GLU179A, GLU21A, GLU28B, GLU30A, GLU35B, GLU36B, GLU3A, GLU47A, GLU4A, GLU52B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, GLY169A, GLY1B, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY84B, GLY86B, HIS112B, HIS143A, HIS167A, HIS16B, HIS177B, HIS5A, HIS81B, ILE106A, ILE127B, ILE148B, ILE1A, ILE31A, ILE31B, ILE63A, ILE72A, ILE7A, ILE82A, ILE8A, LEU109B, LEU114B, LEU11B, LEU138A, LEU144A, LEU147B, LEU14A, LEU158B, LEU170A, LEU26B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LYS105B, LYS111A, LYS12B, LYS147A, LYS2A, LYS67A, LYS75A, LYS98B, MET0A, MET0B, MET160B, MET23A, MET73A, PHE108A, PHE112A, PHE12A, PHE13B, PHE145A, PHE148A, PHE155B, PHE17B, PHE180A, PHE18B, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PHE7B, PHE89B, PRO103B, PRO108B, PRO114A, PRO115A, PRO124B, PRO139A, PRO16A, PRO173A, PRO178B, PRO183A, PRO56B, PRO5B, PRO81A, PRO96A, SER104B, SER118B, SER120B, SER126B, SER184A, SER19A, SER37B, SER53A, SER77A, SER88B, SER95A, THR100B, THR106B, THR113A, THR135A, THR145B, THR154B, THR157B, THR21B, THR3B, THR51B, THR74A, THR80A, THR83A, THR90A, THR90B, THR93A, TRP153B, TRP168A, TRP43A, TRP61B, TRP9B, TYR102B, TYR123B, TYR13A, TYR150A, TYR32B, TYR60B, TYR78B, TYR79A, TYR83B, VAL101B, VAL104A, VAL116A, VAL116B, VAL117A, VAL119B, VAL143B, VAL165A, VAL24B, VAL38B, VAL50B, VAL65A, VAL6A, VAL85A, VAL85B, VAL91B, VAL95B, VAL97A, VAL99B
• A-C: ALA110C, ALA117C, ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG108C, ARG50A, ARG76A, ASN62A, ASN69A, ASN78A, ASP66A, GLN116C, GLN57A, GLN9A, GLU11A, GLU47A, GLU55A, GLU71A, GLY49A, GLY58A, ILE31A, ILE63A, ILE72A, ILE7A, LEU113C, LEU114C, LEU118C, LEU60A, LEU70A, LYS106C, LYS67A, LYS75A, MET107C, MET109C, MET115C, MET73A, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PRO103C, PRO112C, PRO119C, SER105C, SER53A, SER77A, THR111C, THR41A, THR74A, TRP43A, TYR79A, VAL104C, VAL34A, VAL65A
• B-C: ALA110C, ALA117C, ALA58B, ALA74B, ARG108C, ARG71B, ARG80B, ASN62B, ASN82B, ASP57B, ASP66B, ASP76B, CYS15B, CYS30B, CYS79B, GLN116C, GLN64B, GLN70B, GLU28B, GLU59B, GLU87B, GLY54B, GLY84B, GLY86B, HIS81B, ILE31B, LEU113C, LEU114C, LEU11B, LEU26B, LEU53B, LEU67B, LEU68B, LYS106C, LYS12B, MET107C, MET109C, MET115C, PHE13B, PHE40B, PHE89B, PRO112C, PRO56B, SER105C, SER37B, SER63B, THR111C, THR77B, THR90B, TRP61B, TRP9B, TYR32B, TYR47B, TYR60B, TYR78B, TYR83B, VAL104C, VAL38B, VAL85B