2MHA

crystal structure of the major histocompatibility complex class i h-2kb molecule containing a single viral peptide: implications for peptide binding and t-cell receptor recognition

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 110
  • Norm. En. per Res.: -3.5098
• 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	-54.6098	-48.8851	-282.578	-386.0729	110	16	1	10981	2	31	31
A-C	0.0	0.0	-32.6396	-32.6396	23	2	0	1392	0	5	8
A-E	-27.9955	-1.0365	-215.262	-244.294	88	10	2	8539	0	7	9
B-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
C-D	-34.3124	-38.2144	-277.33	-349.8568	115	22	1	11264	3	32	31
C-F	-8.2908	2.7405	-218.107	-223.6573	79	25	3	8592	0	7	7

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA66B, ARG12B, ARG14A, ARG194A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP37A, ASP53B, ASP59B, ASP85B, ASP96B, ASP98B, CYS121A, CYS25B, GLN114A, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN8B, GLN96A, GLU229A, GLU232A, GLU24A, GLU32A, GLY120A, GLY237A, GLY239A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE64B, ILE95A, ILE98A, LEU206A, LEU65B, LYS243A, LYS3B, LYS58B, MET23A, MET54B, MET99B, PHE241A, PHE30B, PHE56B, PHE62B, PHE8A, PRO14B, PRO15A, PRO15B, PRO235A, PRO32B, PRO33B, SER11B, SER246A, SER52B, SER55B, SER57B, SER61B, SER92A, SER99A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR7A, VAL12A, VAL231A, VAL25A, VAL97A, VAL9A, VAL9B
• A-C: ALA135A, ALA136A, ALA139A, ALA140A, ARG44C, ARG62C, ASP137A, GLN54C, GLU55C, GLU58C, GLU61C, GLY56C, HIS145A, ILE142A, LEU141A, LYS144A, MET138A, PRO57C, THR134A, THR64C, TRP60C, TYR45C, TYR59C
• A-E: ALA117A, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA67A, ARG155A, ARG157A, ARG169A, ARG170A, ARG1E, ARG62A, ARG79A, ASN70A, ASP77A, CYS164A, GLN114A, GLN115A, GLN65A, GLN6E, GLN72A, GLN96A, GLU152A, GLU154A, GLU166A, GLU24A, GLU55A, GLU58A, GLU61A, GLU63A, GLY100A, GLY151A, GLY26A, GLY2E, GLY69A, GLY7E, ILE124A, ILE142A, ILE95A, ILE98A, LEU156A, LEU160A, LEU168A, LEU5A, LEU78A, LEU81A, LEU8E, LYS144A, LYS146A, LYS66A, MET23A, MET52A, PHE33A, PHE74A, PHE8A, SER73A, SER99A, THR10A, THR143A, THR163A, THR80A, TRP133A, TRP147A, TRP167A, TRP60A, TYR113A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR22A, TYR3E, TYR45A, TYR59A, TYR5E, TYR7A, TYR84A, TYR85A, VAL165A, VAL25A, VAL28A, VAL34A, VAL4E, VAL76A, VAL97A, VAL9A
• B-E: PHE56B, TYR5E
• C-D: ALA117C, ALA11C, ALA125C, ALA136C, ALA236C, ALA40C, ARG111C, ARG12D, ARG14C, ARG202C, ARG21C, ARG234C, ARG35C, ARG48C, ARG6C, ARG97D, ASN24D, ASP119C, ASP122C, ASP238C, ASP37C, ASP53D, ASP59D, ASP96D, ASP98D, CYS121C, CYS25D, GLN114C, GLN115C, GLN242C, GLN29D, GLN2D, GLN6D, GLN8D, GLN96C, GLU102C, GLU128C, GLU229C, GLU232C, GLU24C, GLU32C, GLY120C, GLY237C, GLY239C, HIS13D, HIS188C, HIS191C, HIS192C, HIS31D, HIS34D, HIS67D, HIS93C, ILE124C, ILE1D, ILE22D, ILE64D, ILE7D, ILE95C, ILE98C, LEU17C, LEU206C, LEU230C, LEU65D, LYS243C, LYS3D, LYS58D, MET23C, MET54D, MET99D, PHE241C, PHE30D, PHE56D, PHE62D, PHE8C, PRO14D, PRO15C, PRO15D, PRO235C, PRO32D, PRO33D, SER11D, SER13C, SER246C, SER52D, SER55D, SER57D, SER61D, SER92C, SER99C, THR10C, THR190C, THR200C, THR233C, THR240C, THR28D, THR94C, TRP204C, TRP244C, TRP60D, TRP95D, TYR10D, TYR113C, TYR116C, TYR118C, TYR123C, TYR26D, TYR27C, TYR63D, TYR7C, VAL12C, VAL231C, VAL25C, VAL97C, VAL9C, VAL9D
• C-F: ALA117C, ALA139C, ALA140C, ALA158C, ALA67C, ARG155C, ARG157C, ARG170C, ARG1F, ARG62C, ASN70C, ASP77C, CYS164C, GLN114C, GLN115C, GLN65C, GLN6F, GLN96C, GLU152C, GLU154C, GLU166C, GLU24C, GLU55C, GLU58C, GLU61C, GLU63C, GLU71C, GLY100C, GLY2F, GLY69C, GLY7F, ILE124C, ILE142C, ILE95C, ILE98C, LEU126C, LEU156C, LEU160C, LEU168C, LEU5C, LEU78C, LEU81C, LEU8F, LYS144C, LYS146C, LYS66C, MET52C, PHE33C, PHE74C, PHE8C, SER73C, SER99C, THR143C, THR163C, THR80C, TRP133C, TRP147C, TRP167C, TRP60C, TYR113C, TYR116C, TYR118C, TYR123C, TYR159C, TYR171C, TYR22C, TYR3F, TYR45C, TYR59C, TYR5F, TYR7C, TYR84C, TYR85C, VAL165C, VAL34C, VAL4F, VAL76C, VAL97C, VAL9C