2HJL

crystal structure of hla-b5703 and hiv-1 peptide

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 125
  • Norm. En. per Res.: -3.9396
• 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	-44.6832	-106.2289	-341.533	-492.4452	125	15	2	12371	5	44	39
A-C	-36.2559	-5.9741	-264.48	-306.71	88	17	7	9382	0	10	7

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA246A, ALA24A, ALA46A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG239A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97B, ASN24B, ASP102A, ASP114A, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN8B, GLN96A, GLU212A, GLU229A, GLU232A, GLU50B, GLY120A, GLY207A, GLY237A, GLY26A, GLY29B, HIS113A, HIS13B, HIS188A, HIS192A, HIS31B, HIS51B, HIS84B, HIS93A, ILE124A, ILE1B, ILE23A, ILE35B, ILE7B, ILE94A, ILE95A, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET12A, MET98A, MET99B, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PRO14B, PRO235A, PRO32B, PRO47A, SER116A, SER11B, SER13A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR99A, TYR9A, VAL231A, VAL25A, VAL27B, VAL34A, VAL85B, VAL97A, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA24A, ALA2C, ALA69A, ALA71A, ALA81A, ARG157A, ARG170A, ARG65A, ARG79A, ARG83A, ASN4C, ASN66A, ASN77A, ASP114A, ASP119A, ASP61A, CYS101A, CYS164A, GLN144A, GLN155A, GLN72A, GLN96A, GLU154A, GLU166A, GLU55A, GLU58A, GLU63A, GLU6C, GLU76A, GLY100A, GLY26A, GLY62A, ILE124A, ILE142A, ILE143A, ILE52A, ILE7C, ILE80A, ILE8C, ILE94A, ILE95A, LEU156A, LEU160A, LEU163A, LEU168A, LEU78A, LEU82A, LYS146A, LYS1C, MET10C, MET45A, MET5A, MET67A, PHE11C, PHE22A, PHE33A, PHE3C, PRO5C, PRO9C, SER116A, SER70A, THR73A, TRP133A, TRP147A, TRP167A, TRP51A, TRP60A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR74A, TYR7A, TYR84A, TYR85A, TYR99A, TYR9A, VAL152A, VAL28A, VAL34A, VAL97A