1UVQ

crystal structure of hla-dq0602 in complex with a hypocretin peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 197
  • Norm. En. per Res.: -6.5406
• 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	-267.9704	-182.3299	-838.207	-1288.5073	197	28	20	29121	15	59	41
A-C	-76.2833	2.369	-251.378	-325.2923	66	10	6	8389	0	1	4
B-C	-22.9118	-4.7549	-161.847	-189.5137	70	9	4	5769	0	5	6

Interface residues

• A-B: ALA38B, ALA49B, ALA58B, ALA5A, ALA69A, ALA84A, ALA85A, ALA86B, ALA9A, ARG149B, ARG23B, ARG25B, ARG29B, ARG34B, ARG39B, ARG47A, ARG55B, ARG79A, ARG88B, ARG93B, ARG94B, ASN114A, ASN14A, ASN150B, ASN19B, ASN33B, ASN65A, ASN72A, ASN74A, ASN81A, ASN82B, ASN87A, ASP121B, ASP145A, ASP152B, ASP2A, ASP30A, ASP32A, ASP41B, ASP43B, ASP57B, ASP6A, ASP6B, CYS110A, CYS117B, CYS11A, CYS15B, CYS79B, GLN104A, GLN10B, GLN126B, GLN156B, GLN17A, GLN24A, GLN34A, GLN53B, GLN92B, GLU28A, GLU33A, GLU35B, GLU36B, GLU50A, GLU59B, GLU5B, GLU74B, GLU88A, GLY125B, GLY12A, GLY13B, GLY151B, GLY172A, GLY20A, GLY20B, GLY23A, GLY31A, GLY54B, GLY55A, GLY56A, GLY89B, HIS146A, HIS170A, HIS27A, HIS71A, HIS7A, ILE101B, ILE109A, ILE115A, ILE148B, ILE151A, ILE31B, ILE3A, ILE75A, ILE77A, ILE90B, LEU111A, LEU141A, LEU158B, LEU15A, LEU173A, LEU26B, LEU73A, LEU91B, LYS12B, LYS143A, LYS150A, LYS53A, LYS70A, LYS78A, LYS97A, MET14B, MET66A, MET76A, PHE116A, PHE11B, PHE122B, PHE148A, PHE149A, PHE155B, PHE17B, PHE18A, PHE29A, PHE35A, PHE51A, PHE54A, PHE57A, PHE7B, PHE87B, PHE95A, PHE9B, PRO117A, PRO118A, PRO124B, PRO21A, PRO4B, PRO52B, PRO56B, PRO99A, SER102B, SER10A, SER118B, SER139A, SER142A, SER144A, SER147A, SER152A, SER22A, SER3B, SER82A, SER96A, SER98A, THR100B, THR101A, THR107A, THR120B, THR138A, THR154B, THR18B, THR26A, THR28B, THR51B, THR83A, THR86A, THR93A, THR98B, TRP153B, TRP171A, TRP46A, TRP48A, TRP61B, TYR123B, TYR153A, TYR16A, TYR16B, TYR19A, TYR25A, TYR30B, TYR32B, TYR37B, TYR60B, TYR80A, TYR83B, VAL116B, VAL119A, VAL119B, VAL13A, VAL24B, VAL27B, VAL4A, VAL50B, VAL68A, VAL78B, VAL85B, VAL89A, VAL8A, VAL8B, VAL95B, VAL99B
• A-C: ALA11C, ALA12C, ALA62A, ALA67A, ALA69A, ALA84A, ARG64A, ARG79A, ASN14A, ASN2C, ASN65A, ASN72A, ASN74A, ASN81A, ASP58A, CYS11A, GLN34A, GLY12A, GLY14C, GLY15C, GLY16C, GLY17C, GLY55A, GLY56A, GLY61A, HIS27A, HIS71A, ILE75A, ILE77A, LEU15A, LEU19C, LEU3C, LEU73A, LYS53A, LYS70A, LYS78A, LYS7C, MET1C, MET66A, MET76A, PHE35A, PHE51A, PHE54A, PHE57A, PRO4C, PRO59A, SER10A, SER18C, SER52A, SER5C, SER82A, SER9C, THR26A, THR44A, THR6C, THR83A, TRP10C, TRP46A, TYR16A, TYR25A, TYR80A, VAL13A, VAL13C, VAL20C, VAL68A, VAL8C
• B-C: ALA11C, ALA12C, ALA38B, ALA58B, ALA73B, ALA86B, ARG29B, ARG55B, ARG80B, ASN2C, ASN82B, ASP57B, ASP76B, CYS15B, CYS79B, GLN10B, GLN53B, GLN64B, GLU59B, GLU5B, GLU66B, GLU74B, GLU84B, GLY13B, GLY14C, GLY15C, GLY16C, GLY17C, GLY70B, HIS81B, ILE31B, ILE90B, LEU19C, LEU26B, LEU3C, LEU68B, LEU75B, LYS12B, LYS7C, MET14B, MET1C, PHE11B, PHE40B, PHE7B, PHE87B, PHE9B, PRO4C, PRO52B, PRO56B, SER5C, SER9C, THR28B, THR6C, THR71B, THR77B, TRP10C, TRP61B, TYR30B, TYR32B, TYR37B, TYR47B, TYR60B, TYR83B, VAL13C, VAL20C, VAL27B, VAL67B, VAL78B, VAL85B, VAL8C