2G9H

crystal structure of staphylococcal enterotoxin i (sei) in complex with a human mhc class ii molecule

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 198
  • Norm. En. per Res.: -5.337
• Hub Node: A(3)

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	-233.9007	-71.0095	-751.809	-1056.7192	198	28	11	27334	6	68	51
A-C	-69.9953	-4.0206	-187.878	-261.8939	54	9	4	6491	0	11	6
A-D	0.0	-2.0135	-0.547	-2.5605	10	0	0	139	0	4	3
B-C	-48.2845	0.717	-191.133	-238.7005	64	7	3	6684	0	7	7
B-D	-14.0341	-20.0571	-109.099	-143.1902	55	2	0	4329	5	33	32
C-D	0.0	-12.8589	-26.9883	-39.8472	23	0	0	1210	2	3	9

Interface residues

• A-B: ALA10A, ALA52A, ALA58B, ALA68A, ARG140A, ARG146A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG71B, ARG76A, ARG80B, ARG93B, ARG94B, ASN150B, ASN15A, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN94A, ASP142A, ASP152B, ASP17A, ASP181A, ASP25A, ASP27A, ASP29A, ASP2B, ASP57B, ASP66A, CB9.3282312.01946, CYS117B, CYS15B, CYS30B, CYS79B, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU101A, GLU11A, GLU141A, GLU14B, GLU179A, GLU21A, GLU22B, GLU28B, GLU30A, GLU35B, GLU36B, GLU47A, GLU4A, GLU4A5, GLU52B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY84B, GLY86B, HIS143A, HIS167A, HIS16B, HIS5A, HIS81B, ILE106A, ILE148B, ILE31A, ILE31B, ILE63A, ILE72A, ILE7A, ILE82A, ILE8A, LEU11B, LEU138A, LEU144A, LEU14A, LEU158B, LEU26B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LYS105B, LYS111A, LYS12B, LYS147A, LYS67A, LYS75A, LYS98B, MET23A, MET73A, PHE108A, PHE112A, PHE122B, PHE12A, PHE137A, PHE13B, PHE145A, PHE148A, PHE155B, PHE17B, PHE180A, PHE18B, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PHE7B, PHE89B, PRO114A, PRO115A, PRO124B, PRO139A, PRO16A, 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, TRP43A, TRP61B, TRP9B, TYR102B, TYR123B, TYR13A, TYR150A, TYR32B, TYR60B, TYR78B, TYR79A, TYR83B, VAL101B, VAL104A, VAL116A, VAL116B, VAL119B, VAL24B, VAL38B, VAL50B, VAL65A, VAL6A, VAL85A, VAL85B, VAL91B, VAL95B, VAL97A, VAL99B
• A-C: ALA317C, ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG50A, ARG76A, ASN312C, ASN62A, ASN69A, ASP66A, GLN311C, GLN57A, GLN9A, GLU11A, GLU55A, GLU71A, GLY49A, GLY58A, ILE31A, ILE63A, ILE72A, ILE7A, LEU314C, LEU316C, LEU60A, LEU70A, LYS307C, LYS310C, LYS315C, LYS67A, LYS75A, MET73A, PHE12A, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PRO306C, SER53A, THR313C, THR318C, THR41A, THR74A, TRP43A, TYR308C, VAL309C, VAL34A, VAL65A
• A-D: ALA61A, GLN57A, GLU55A, GLY103D, GLY58A, HIS105D, LYS104D, PHE54A, SER53A, TRP100D
• B-C: ALA317C, ALA58B, ALA73B, ALA74B, ARG29B, ARG55B, ARG71B, ARG72B, ASN312C, ASN82B, ASP57B, ASP76B, CYS15B, CYS30B, CYS79B, GLN10B, GLN311C, GLN64B, GLN70B, GLU14B, GLU28B, GLU59B, GLU87B, GLY54B, GLY84B, GLY86B, HIS81B, ILE31B, LEU11B, LEU26B, LEU27B, LEU314C, LEU316C, LEU53B, LEU67B, LEU68B, LYS12B, LYS307C, LYS310C, LYS315C, PHE13B, PHE40B, PHE89B, PRO306C, PRO56B, SER37B, SER88B, THR313C, THR318C, THR77B, THR90B, TRP153B, TRP61B, TRP9B, TYR308C, TYR32B, TYR47B, TYR60B, TYR78B, TYR83B, VAL309C, VAL38B, VAL75B, VAL85B
• B-D: ALA73B, ALA74B, ARG71B, ARG72B, ARG80B, ARG93D, ASN171D, ASN19B, ASN82B, ASN98D, ASP111D, ASP172D, ASP209D, ASP66B, ASP76B, CYS79B, GLN70B, GLN92B, GLU204D, GLU22B, GLU69B, GLU87B, GLY20B, GLY84B, GLY86B, HIS105D, HIS169D, HIS207D, HIS81B, ILE108D, ILE95D, ILE97D, LEU167D, LEU170D, LEU208D, LEU99D, LYS106D, LYS174D, LYS205D, LYS94D, PHE206D, PRO96D, SER109D, SER175D, THR107D, THR110D, THR21B, THR77B, TRP100D, TYR78B, TYR83B, VAL210D, VAL24B, VAL75B, VAL85B
• C-D: ASN312C, ASN98D, ASP209D, GLN311C, GLU211D, GLY103D, HIS105D, HIS169D, HIS207D, ILE212D, LEU167D, LEU99D, LYS104D, LYS106D, LYS165D, LYS307C, LYS310C, PRO306C, THR107D, TRP100D, TYR308C, VAL210D, VAL309C