3L3G

crystal structure of hla-b*4402 in complex with the r5a mutant of a self-peptide derived from dpa*0201

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 88
  • Norm. En. per Res.: -4.2644
• 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	-39.0704	-85.5123	-365.238	-489.8207	123	10	2	12570	2	48	41
A-C	-46.7688	-35.3062	-293.196	-375.271	88	16	4	9288	5	17	18

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA246A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG239A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN21B, ASN24B, ASP102A, ASP114A, ASP116A, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN87A, GLN8B, GLN96A, GLU212A, GLU229A, GLU232A, GLU46A, GLY120A, GLY207A, GLY237A, GLY26A, GLY29B, HIS13B, HIS188A, HIS192A, HIS31B, HIS51B, HIS84B, HIS93A, ILE124A, ILE1B, ILE23A, ILE35B, ILE7B, ILE94A, ILE95A, LEU206A, LEU230A, LEU32A, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET12A, MET98A, MET99B, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PRO14B, PRO235A, PRO32B, SER11B, SER13A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR24A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR99A, TYR9A, VAL231A, VAL25A, VAL27B, VAL34A, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA5C, ALA6C, ALA81A, ARG151A, ARG157A, ARG170A, ARG62A, ARG6A, ARG79A, ARG83A, ARG97A, ASN70A, ASN77A, ASP114A, ASP116A, ASP156A, CYS164A, GLN115A, GLN144A, GLN155A, GLN65A, GLN96A, GLU154A, GLU166A, GLU1C, GLU2C, GLU55A, GLU63A, GLU76A, GLY100A, GLY26A, GLY4C, ILE124A, ILE142A, ILE52A, ILE66A, ILE94A, ILE95A, LEU126A, LEU160A, LEU163A, LEU168A, LEU78A, LEU82A, LYS146A, LYS45A, MET5A, PHE22A, PHE33A, PHE36A, PHE3C, PHE7C, PHE8A, PHE9C, SER167A, SER67A, SER8C, THR143A, THR24A, THR64A, THR69A, THR71A, THR73A, THR80A, TRP133A, TRP147A, TRP51A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR74A, TYR7A, TYR84A, TYR85A, TYR99A, TYR9A, VAL152A, VAL25A, VAL28A, VAL34A