1SEB

complex of the human mhc class ii glycoprotein hla-dr1 and the bacterial superantigen seb

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 204
  • Norm. En. per Res.: -5.3072
• Hub Node: A(5)

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	-189.9559	-108.8758	-783.832	-1082.6637	204	58	11	28986	8	68	66
A-C	-54.4715	0.0	-109.482	-163.9535	47	5	0	4578	0	0	0
A-D	-43.6372	-19.9591	-178.372	-241.9683	68	11	5	7536	2	23	24
A-E	0.0	31.9009	-11.0229	20.878	23	0	0	485	2	18	23
A-F	-3.1531	-23.4101	-41.904	-68.4672	53	3	2	3173	2	24	20
B-C	-18.7722	0.0	-102.592	-121.3642	48	2	0	4614	0	0	0
B-D	0.0	0.0	-0.0489	-0.0489	5	0	0	31	0	2	1
B-E	0.0	-17.2026	-62.8942	-80.0968	51	1	2	3217	3	26	21
B-F	-9.8989	34.6858	90.544	115.3309	31	9	0	1638	0	15	21
E-F	-187.8137	-115.5891	-787.384	-1090.7868	207	62	11	29114	8	70	65
E-G	-54.4828	0.0	-109.834	-164.3168	47	5	0	4579	0	0	0
E-H	-29.6148	-21.142	-174.518	-225.2748	69	5	5	7428	2	24	23
F-G	-19.3946	0.0	-102.837	-122.2316	47	2	0	4521	0	0	0
F-H	0.0	0.0	-0.0469	-0.0469	4	0	0	28	0	2	1

Interface residues

• A-B: ALA10A, ALA52A, ALA58B, ALA68A, ARG140A, ARG146A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG71B, ARG76A, ARG80B, ARG93B, ASN103A, 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, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU11A, GLU141A, GLU14B, GLU166A, GLU21A, GLU22B, GLU28B, GLU30A, GLU35B, GLU36B, GLU3A, GLU47A, GLU4A, GLU52B, GLU59B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, GLY1B, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY84B, GLY86B, HIS143A, HIS149A, HIS167A, HIS16B, HIS5A, HIS81B, ILE106A, ILE148B, ILE1A, ILE31A, ILE31B, ILE63A, ILE72A, ILE7A, ILE82A, ILE8A, LEU11B, LEU138A, LEU144A, LEU14A, LEU158B, LEU170A, LEU26B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LYS105B, LYS111A, LYS12B, LYS147A, LYS2A, 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, SER104B, SER118B, SER120B, SER126B, SER133A, 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: ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG50A, ARG76A, ASN62A, ASN69A, ASP66A, GLN9A, GLU11A, GLU55A, GLU71A, GLY58A, ILE31A, ILE63A, ILE72A, ILE7A, LEU70A, LYS67A, LYS75A, MET73A, PHE22A, PHE24A, PHE32A, PHE51A, PHE54A, SER53A, THR41A, TRP43A, UNK10C, UNK11C, UNK12C, UNK13C, UNK1C, UNK2C, UNK3C, UNK4C, UNK5C, UNK6C, UNK7C, UNK8C, UNK9C, VAL34A, VAL65A
• A-D: ALA37A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG65D, ASN15A, ASN218D, ASN62A, ASN69A, ASN70D, ASP17A, ASP209D, ASP35A, ASP42D, ASP48D, ASP66A, CYS113D, CYS93D, GLN18A, GLN210D, GLN43D, GLN57A, GLN92D, GLU21A, GLU40A, GLU55A, GLU67D, GLU71A, GLY20A, GLY58A, ILE50D, ILE63A, LEU14A, LEU214D, LEU45D, LEU49D, LEU60A, LYS207D, LYS212D, LYS38A, LYS39A, LYS67A, LYS69D, LYS71D, LYS78D, LYS97D, LYS98D, MET114D, MET215D, MET36A, PHE12A, PHE44D, PHE47D, PHE68D, PHE95D, PRO16A, SER19A, SER211D, SER96D, TYR115D, TYR13A, TYR46D, TYR89D, TYR91D, TYR94D, VAL65A
• A-E: ARG140A, ARG140E, ASN84A, ASP110A, ASP110E, ASP142A, ASP142E, ASP181A, ASP181E, GLU141A, GLU141E, GLU88A, GLU88E, LEU144A, LEU144E, LYS111A, LYS111E, PRO86A, PRO86E, THR83A, THR83E, VAL85A, VAL85E
• A-F: ALA140F, ARG123A, ARG164A, ARG39F, ASN113F, ASN124A, ASP142A, ASP159A, ASP162A, ASP181A, CYS163A, GLN107F, GLN110F, GLN34F, GLU158A, GLU162F, GLU172A, GLU179A, GLY125A, GLY141F, GLY146F, HIS111F, HIS112F, HIS177A, LEU114F, LEU122A, LEU147F, LEU161F, LEU170A, LEU174A, LEU175A, LYS105F, LYS126A, LYS139F, LYS176A, MET160F, PHE180A, PRO173A, SER104F, SER144F, SER156A, THR145F, THR157A, THR157F, THR163F, THR80A, TRP178A, TYR161A, VAL142F, VAL143F, VAL159F, VAL160A, VAL164F
• B-C: ALA58B, ALA74B, ARG55B, ARG71B, ASN82B, ASP57B, CYS15B, CYS30B, CYS79B, GLN64B, GLN70B, GLU28B, GLU59B, GLY54B, GLY84B, GLY86B, HIS81B, LEU11B, LEU26B, LEU53B, LEU67B, LYS12B, PHE13B, PHE89B, PRO56B, SER37B, THR77B, TRP61B, TRP9B, TYR47B, TYR60B, TYR78B, TYR83B, UNK10C, UNK11C, UNK12C, UNK13C, UNK1C, UNK2C, UNK3C, UNK4C, UNK5C, UNK6C, UNK7C, UNK8C, UNK9C, VAL38B, VAL85B
• B-D: ARG4B, ASP2B, GLN43D, LYS71D, LYS78D
• B-E: ALA140B, ARG164E, ARG39B, ASN113B, ASN124E, ASP142E, ASP159E, ASP162E, ASP171E, ASP181E, CYS163E, GLN107B, GLN110B, GLN34B, GLU158E, GLU162B, GLU172E, GLU179E, GLY125E, GLY141B, GLY146B, HIS111B, HIS112B, HIS177E, LEU114B, LEU122E, LEU161B, LEU170E, LEU174E, LEU175E, LYS105B, LYS139B, LYS176E, MET160B, PHE180E, PRO173E, SER104B, SER144B, SER156E, THR145B, THR157E, THR163B, THR80E, TRP178E, TYR161E, VAL129B, VAL142B, VAL143B, VAL159B, VAL160E, VAL164B
• B-F: ALA49B, ALA49F, ALA58B, ALA58F, ARG39B, ARG39F, ARG48B, ARG48F, ARG55B, ARG55F, GLN34B, GLN34F, GLU35B, GLU35F, GLU36B, GLU36F, GLU52B, GLU52F, GLU59F, GLY54B, GLY54F, LEU53B, LEU53F, PRO56F, SER37B, SER37F, THR51B, THR51F, VAL38B, VAL50B, VAL50F
• E-F: ALA10E, ALA52E, ALA58F, ALA68E, ARG140E, ARG146E, ARG23F, ARG25F, ARG29F, ARG39F, ARG44E, ARG4F, ARG50E, ARG55F, ARG6F, ARG71F, ARG76E, ARG80F, ARG93F, ASN103E, ASN150F, ASN15E, ASN19F, ASN33F, ASN62E, ASN69E, ASN78E, ASN82F, ASN84E, ASN94E, ASP142E, ASP152F, ASP171E, ASP17E, ASP181E, ASP25E, ASP27E, ASP29E, ASP2F, ASP57F, ASP66E, CYS117F, CYS15F, CYS30F, CYS79F, GLN10F, GLN149F, GLN156F, GLN18E, GLN34F, GLN92F, GLN9E, GLU11E, GLU141E, GLU14F, GLU166E, GLU21E, GLU22F, GLU28F, GLU30E, GLU35F, GLU36F, GLU3E, GLU46E, GLU47E, GLU4E, GLU52F, GLU59F, GLU71E, GLU87F, GLU98E, GLY121F, GLY125F, GLY151F, GLY1F, GLY20E, GLY20F, GLY28E, GLY49E, GLY54F, GLY84F, GLY86F, HIS143E, HIS149E, HIS167E, HIS16F, HIS5E, HIS81F, ILE106E, ILE148F, ILE1E, ILE31E, ILE31F, ILE63E, ILE72E, ILE7E, ILE82E, ILE8E, LEU11F, LEU138E, LEU144E, LEU14E, LEU158F, LEU170E, LEU26F, LEU27F, LEU45E, LEU53F, LEU70E, LEU8F, LEU92E, LYS105F, LYS111E, LYS12F, LYS147E, LYS2E, LYS67E, LYS75E, LYS98F, MET23E, MET73E, PHE108E, PHE112E, PHE12E, PHE137E, PHE13F, PHE145E, PHE148E, PHE155F, PHE17F, PHE180E, PHE18F, PHE22E, PHE24E, PHE26E, PHE32E, PHE48E, PHE51E, PHE54E, PHE7F, PHE89F, PRO114E, PRO115E, PRO124F, PRO139E, PRO16E, PRO56F, PRO5F, PRO81E, PRO96E, SER104F, SER118F, SER120F, SER126F, SER133E, SER19E, SER37F, SER53E, SER77E, SER88F, SER95E, THR100F, THR106F, THR113E, THR135E, THR145F, THR154F, THR157F, THR21F, THR3F, THR51F, THR74E, THR80E, THR83E, THR90E, THR90F, THR93E, TRP153F, TRP168E, TRP43E, TRP61F, TRP9F, TYR102F, TYR123F, TYR13E, TYR150E, TYR32F, TYR60F, TYR78F, TYR79E, TYR83F, VAL101F, VAL104E, VAL116E, VAL116F, VAL119F, VAL24F, VAL38F, VAL50F, VAL65E, VAL6E, VAL85E, VAL85F, VAL91F, VAL95F, VAL97E, VAL99F
• E-G: ALA52E, ALA56E, ALA59E, ALA61E, ALA64E, ALA68E, ARG50E, ARG76E, ASN62E, ASN69E, ASP66E, GLN9E, GLU11E, GLU55E, GLU71E, GLY58E, ILE31E, ILE63E, ILE72E, ILE7E, LEU70E, LYS67E, LYS75E, MET73E, PHE22E, PHE24E, PHE32E, PHE51E, PHE54E, SER53E, THR41E, TRP43E, UNK10G, UNK11G, UNK12G, UNK13G, UNK1G, UNK2G, UNK3G, UNK4G, UNK5G, UNK6G, UNK7G, UNK8G, UNK9G, VAL34E, VAL65E
• E-H: ALA37E, ALA56E, ALA59E, ALA61E, ALA64E, ALA68E, ARG65H, ASN15E, ASN218H, ASN62E, ASN69E, ASN70H, ASP17E, ASP209H, ASP35E, ASP42H, ASP48H, ASP66E, CYS113H, CYS93H, GLN18E, GLN210H, GLN43H, GLN57E, GLN92H, GLU21E, GLU40E, GLU55E, GLU67H, GLU71E, GLY20E, GLY58E, ILE50H, ILE63E, LEU14E, LEU214H, LEU45H, LEU49H, LEU60E, LYS207H, LYS212H, LYS38E, LYS39E, LYS67E, LYS69H, LYS71H, LYS78H, LYS97H, LYS98H, MET114H, MET215H, MET36E, PHE12E, PHE44H, PHE47H, PHE68H, PHE95H, PRO16E, SER19E, SER211H, SER96H, TYR115H, TYR13E, TYR46H, TYR89H, TYR91H, TYR94H, VAL34E, VAL65E
• F-G: ALA58F, ALA74F, ARG71F, ASN82F, ASP57F, CYS30F, CYS79F, GLN64F, GLN70F, GLU28F, GLU59F, GLU87F, GLY54F, GLY84F, GLY86F, HIS81F, LEU11F, LEU26F, LEU53F, LEU67F, LYS12F, PHE13F, PHE89F, PRO56F, SER88F, THR77F, TRP61F, TRP9F, TYR47F, TYR60F, TYR78F, TYR83F, UNK10G, UNK11G, UNK12G, UNK13G, UNK1G, UNK2G, UNK3G, UNK4G, UNK5G, UNK6G, UNK7G, UNK8G, UNK9G, VAL38F, VAL85F
• F-H: ARG4F, ASP2F, LYS71H, LYS78H