1WBY

crystal structures of murine mhc class i h-2 db and kb molecules in complex with ctl epitopes from influenza a virus: implications for tcr repertoire selection and immunodominance

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 89
  • Norm. En. per Res.: -4.6775
• 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	-31.7211	-67.5912	-355.27	-454.5823	118	22	1	12205	4	39	37
A-C	-80.9974	2.6568	-337.955	-416.2956	89	17	7	10601	0	8	11

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ARG121A, ARG12B, ARG14A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN24B, ASN30A, ASP102A, ASP122A, ASP238A, ASP37A, ASP53B, ASP59B, ASP85B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN8B, GLN96A, GLN97A, GLU119A, GLU229A, GLU232A, GLU32A, GLU9A, GLY120A, GLY207A, GLY237A, GLY239A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE23A, ILE64B, ILE7B, LEU114A, LEU206A, LEU230A, LEU65B, LEU95A, LYS186A, LYS243A, LYS3B, LYS58B, MET54B, MET5A, MET98A, MET99B, PHE116A, PHE241A, PHE30B, PHE56B, PHE62B, PHE74A, PHE8A, PRO14B, PRO15B, PRO193A, PRO235A, PRO32B, PRO33B, SER11B, SER13A, SER246A, SER24A, SER4A, SER52B, SER55B, SER57B, SER61B, SER92A, SER99A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR7A, VAL12A, VAL231A, VAL25A, VAL27B, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA152A, ALA153A, ALA158A, ALA67A, ALA8C, ARG144A, ARG170A, ARG62A, ARG6A, ARG75A, ARG79A, ARG7C, ASN5C, ASN80A, CYS164A, GLN115A, GLN149A, GLN65A, GLN70A, GLN72A, GLN96A, GLN97A, GLU154A, GLU163A, GLU166A, GLU4C, GLU63A, GLU9A, GLY100A, GLY151A, GLY26A, GLY69A, HIS155A, ILE124A, ILE142A, LEU114A, LEU126A, LEU160A, LEU168A, LEU3C, LEU78A, LEU81A, LEU82A, LEU95A, LYS146A, LYS157A, LYS66A, LYS68A, MET52A, MET5A, MET98A, PHE116A, PHE33A, PHE36A, PHE6C, PHE74A, SER150A, SER1C, SER24A, SER2C, SER77A, SER99A, THR143A, THR64A, TRP133A, TRP147A, TRP167A, TRP73A, TYR113A, TYR118A, TYR123A, TYR156A, TYR159A, TYR171A, TYR22A, TYR45A, TYR59A, TYR7A, TYR84A, TYR85A, TYR9C, VAL10C, VAL165A, VAL28A, VAL34A, VAL76A