1LO5

crystal structure of the d227a variant of staphylococcal enterotoxin a in complex with human mhc class ii

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 194
  • Norm. En. per Res.: -4.952
• 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	-199.2537	-91.4212	-670.015	-960.6899	194	64	12	27392	9	64	49
A-C	-30.8696	-9.1804	-169.675	-209.725	54	21	3	6870	0	10	6
A-D	-17.2729	-6.6051	-121.924	-145.8019	68	17	5	5999	2	20	18
B-C	-46.0119	0.4408	-172.968	-218.5391	60	17	3	6384	0	8	7
B-D	0.0	0.0	-0.0474	-0.0474	5	0	0	30	0	0	1
C-D	0.0	0.0	-0.2341	-0.2341	2	0	0	60	0	0	1

Interface residues

• A-B: ALA10A, ALA182A, ALA49B, 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, ASP57B, ASP66A, CYS117B, CYS15B, CYS30B, CYS79B, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU11A, GLU141A, GLU14B, GLU21A, GLU28B, GLU30A, GLU35B, GLU36B, GLU47A, GLU4A, GLU52B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, 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, LEU14A, LEU158B, LEU26B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LYS105B, LYS111A, LYS12B, LYS147A, LYS67A, LYS75A, LYS98B, MET23A, MET73A, PHE108A, PHE112A, PHE12A, PHE137A, PHE13B, PHE145A, PHE148A, PHE155B, PHE17B, PHE18B, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PHE7B, PHE89B, PRO114A, PRO115A, PRO124B, PRO139A, PRO16A, PRO56B, PRO5B, PRO81A, PRO96A, SER118B, SER120B, SER126B, 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, VAL119B, VAL24B, VAL38B, VAL50B, VAL65A, VAL6A, VAL85A, VAL85B, VAL91B, VAL95B, VAL97A
• A-C: ALA317C, ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG50A, ARG76A, ASN312C, ASN62A, ASN69A, ASP25A, ASP66A, GLN311C, GLN57A, GLN9A, GLU11A, GLU55A, GLU71A, GLY49A, GLY58A, ILE31A, ILE63A, ILE72A, ILE7A, LEU314C, LEU316C, LEU60A, LEU70A, LYS307C, LYS310C, LYS315C, LYS67A, MET73A, PHE12A, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PRO306C, SER53A, THR313C, THR318C, THR41A, THR74A, TRP43A, TYR308C, VAL309C, VAL34A, VAL65A
• A-D: ALA37A, ALA59A, ALA61A, ALA64A, ALA68A, ALA97D, ARG211D, ARG214D, ASN15A, ASN207D, ASN62A, ASP17A, ASP35A, ASP45D, ASP66A, ASP70D, ASP72D, CYS106D, CYS96D, GLN18A, GLN46D, GLN49D, GLN57A, GLN95D, GLU21A, GLU40A, GLU55A, GLU71A, GLY20A, GLY58A, GLY93D, GLY98D, GLY99D, HIS44D, HIS50D, ILE52D, ILE63A, LEU14A, LEU48D, LEU53D, LEU60A, LEU68D, LYS38A, LYS39A, LYS55D, LYS67A, LYS74D, LYS75A, LYS81D, MET36A, PHE12A, PHE22A, PHE47D, PHE71D, PRO101D, PRO16A, SER19A, SER73D, THR100D, THR51D, TYR108D, TYR13A, TYR92D, TYR94D, VAL116A, VAL34A, VAL65A, VAL77D
• B-C: ALA317C, ALA58B, ALA73B, ALA74B, ARG55B, ARG71B, ARG72B, ASN312C, ASN82B, ASP57B, CYS15B, CYS30B, CYS79B, GLN311C, GLN64B, GLN70B, GLU14B, GLU28B, GLU59B, GLU87B, GLY54B, GLY84B, GLY86B, HIS81B, ILE31B, LEU11B, LEU26B, 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: ARG4B, ARG6B, GLN49D, LYS74D, LYS81D
• C-D: LYS315C, PRO101D