2SEB

x-ray crystal structure of hla-dr4 complexed with a peptide from human collagen ii

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 198
  • Norm. En. per Res.: -5.7277
• 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	-210.3411	-115.062	-808.672	-1134.0752	198	49	10	29205	9	84	76
A-D	-49.6299	-17.0473	-197.248	-263.9252	71	16	6	7665	2	20	22
A-E	-45.209	5.5481	-135.792	-175.4528	47	4	7	4550	0	2	4
B-D	0.0	0.0	-0.0596	-0.0596	2	0	0	20	0	0	0
B-E	-43.1259	6.6049	-166.752	-203.273	53	11	5	5253	3	14	10

Interface residues

• A-B: ALA10A, ALA52A, ALA58B, ALA68A, ARG140A, ARG146A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG76A, ARG80B, ARG93B, ASN103A, ASN120B, ASN150B, ASN15A, ASN19B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN94A, ASP142A, ASP152B, ASP17A, ASP25A, ASP27A, ASP28B, ASP29A, ASP2B, ASP57B, ASP66A, CYS117B, CYS15B, CYS79B, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU11A, GLU141A, GLU14B, GLU21A, GLU22B, GLU30A, GLU35B, GLU36B, GLU3A, GLU47A, GLU4A, GLU52B, GLU71A, GLU87B, GLU98A, GLU98B, GLU9B, GLY121B, GLY125B, GLY151B, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY84B, GLY86B, HIS13B, HIS143A, HIS149A, HIS167A, HIS16B, HIS33B, HIS5A, HIS81B, ILE106A, ILE148B, ILE1A, ILE31A, ILE63A, ILE72A, ILE7A, ILE82A, ILE8A, LEU138A, LEU144A, LEU14A, LEU158B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LYS111A, LYS12B, LYS147A, LYS2A, LYS67A, LYS71B, LYS75A, MET23A, MET73A, PHE108A, PHE112A, PHE12A, PHE137A, PHE145A, PHE148A, PHE155B, PHE17B, PHE18B, PHE22A, PHE24A, PHE26A, PHE26B, PHE31B, PHE32A, PHE48A, PHE51A, PHE54A, PHE7B, PHE89B, PRO114A, PRO115A, PRO124B, PRO139A, PRO16A, PRO56B, PRO5B, PRO81A, PRO96A, SER118B, SER126B, SER133A, SER19A, SER53A, SER77A, SER88B, SER95A, THR100B, THR113A, THR135A, THR145B, THR154B, THR157B, THR21B, THR3B, THR51B, THR74A, THR80A, THR83A, THR90A, THR90B, THR93A, TRP153B, TRP168A, TRP43A, TRP61B, TYR102B, TYR123B, TYR13A, TYR150A, TYR30B, TYR32B, TYR37B, TYR60B, TYR78B, TYR79A, TYR83B, VAL101B, VAL104A, VAL116A, VAL116B, VAL119B, VAL11B, VAL136A, VAL24B, VAL38B, VAL50B, VAL65A, VAL6A, VAL85A, VAL85B, VAL91A, VAL91B, VAL95B, VAL97A, VAL99B
• 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, LEU70A, LYS111D, LYS207D, LYS212D, LYS38A, LYS39A, LYS67A, LYS69D, LYS71D, LYS78D, LYS97D, MET114D, MET215D, MET36A, PHE12A, PHE44D, PHE47D, PHE68D, PHE95D, PRO16A, SER19A, SER211D, SER96D, TYR115D, TYR13A, TYR46D, TYR89D, TYR90D, TYR91D, TYR94D, VAL34A, VAL65A
• A-E: ALA1168E, ALA1172E, ALA1174E, ALA1175E, ALA1176E, ALA1179E, ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG1171E, ARG50A, ARG76A, ASN62A, ASN69A, ASP1173E, ASP66A, GLN57A, GLN9A, GLU11A, GLU55A, GLY1177E, GLY1178E, GLY58A, ILE31A, ILE63A, ILE72A, ILE7A, LEU70A, LYS67A, MET1170E, MET73A, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, SER53A, THR41A, TRP43A, TYR1169E, VAL34A, VAL65A
• B-D: ARG4B, LYS71D
• B-E: ALA1168E, ALA1172E, ALA1174E, ALA1175E, ALA1176E, ALA1179E, ALA58B, ALA73B, ALA74B, ARG1171E, ARG29B, ARG80B, ASN82B, ASP1173E, ASP28B, ASP57B, ASP76B, CYS15B, CYS79B, GLN64B, GLN70B, GLU14B, GLU87B, GLU9B, GLY1177E, GLY1178E, GLY84B, GLY86B, HIS13B, HIS81B, LEU27B, LEU67B, LYS12B, LYS71B, MET1170E, PHE26B, PHE40B, PHE89B, PRO56B, THR77B, THR90B, TRP153B, TRP61B, TYR1169E, TYR30B, TYR37B, TYR47B, TYR60B, TYR78B, TYR83B, VAL11B, VAL38B, VAL85B