3FON

crystal structure of the class i mhc molecule h-2kwm7 with a single self peptide vndifeai

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 86
  • Norm. En. per Res.: -4.547
• 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	-54.3111	-48.3507	-403.85	-506.5118	123	11	1	13660	2	39	40
A-P	-64.4391	-39.3975	-269.478	-373.3145	86	16	5	9256	2	15	11
A-C	-8.6967	-76.4434	-35.9324	-121.0725	28	5	0	1266	5	13	8
C-D	-40.5763	-50.2565	-405.096	-495.9288	125	11	1	13650	2	40	40
C-E	-73.8624	-37.8669	-279.317	-391.0463	86	19	5	9240	2	15	12

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA66B, ARG111A, ARG121A, ARG12B, ARG14A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97A, ARG97B, ARG99A, ASN21B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP37A, ASP39A, ASP53B, ASP59B, ASP85B, ASP96B, ASP98B, CYS25B, GLN114A, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN87A, GLN8B, GLN96A, GLU102A, GLU229A, GLU232A, GLU24A, GLU32A, GLY120A, GLY207A, GLY237A, GLY239A, GLY91A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE64B, ILE95A, LEU206A, LEU230A, LEU65B, LYS186A, LYS243A, LYS3B, LYS58B, MET0B, MET23A, MET51B, MET54B, MET98A, MET99B, PHE241A, PHE30B, PHE56B, PHE62B, PHE8A, PRO14B, PRO15B, PRO235A, PRO32B, PRO33B, SER11B, SER13A, SER246A, SER38A, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR118A, TYR123A, TYR22A, TYR26B, TYR27A, TYR63B, TYR7A, VAL116A, VAL12A, VAL231A, VAL25A, VAL27B, VAL9A, VAL9B
• A-P: ALA117A, ALA139A, ALA140A, ALA150A, ALA152A, ALA153A, ALA158A, ALA163A, ALA67A, ALA7P, ALA81A, ARG155A, ARG170A, ARG6A, ARG79A, ARG83A, ARG97A, ARG99A, ASN2P, ASN70A, ASP156A, ASP3P, ASP77A, CYS164A, GLN114A, GLN115A, GLN63A, GLN65A, GLU154A, GLU166A, GLU24A, GLU6P, GLU71A, GLY100A, GLY151A, GLY26A, GLY62A, GLY69A, ILE124A, ILE142A, ILE4P, ILE66A, ILE8P, ILE95A, LEU160A, LEU168A, LEU5A, LEU78A, LEU82A, LYS144A, LYS146A, MET23A, MET52A, MET98A, PHE33A, PHE36A, PHE5P, PHE8A, SER73A, SER74A, THR10A, THR143A, THR80A, TRP133A, TRP147A, TRP167A, TRP60A, TYR113A, TYR118A, TYR123A, TYR159A, TYR171A, TYR22A, TYR45A, TYR59A, TYR7A, TYR84A, TYR85A, VAL116A, VAL1P, VAL25A, VAL28A, VAL34A, VAL55A, VAL76A, VAL9A
• A-C: ARG75C, ARG79C, ARG83C, ASN42A, ASN86C, GLN149C, GLN65A, GLN72C, GLN87C, GLU41A, GLU56A, GLU58A, GLU61A, GLY62A, ILE142C, ILE66A, LEU82C, LYS146C, LYS19C, LYS68A, PRO57A, THR64A, THR80C, TRP60A, TYR59A, TYR84C, TYR85C, VAL76C
• C-D: ALA117C, ALA11C, ALA125C, ALA236C, ALA66D, ARG111C, ARG121C, ARG12D, ARG14C, ARG194C, ARG202C, ARG21C, ARG234C, ARG35C, ARG48C, ARG6C, ARG97C, ARG97D, ARG99C, ASN21D, ASN24D, ASP119C, ASP122C, ASP238C, ASP30C, ASP37C, ASP39C, ASP53D, ASP59D, ASP85D, ASP96D, ASP98D, CYS25D, GLN114C, GLN115C, GLN242C, GLN29D, GLN2D, GLN6D, GLN87C, GLN8D, GLN96C, GLU102C, GLU229C, GLU232C, GLU24C, GLU32C, GLY120C, GLY207C, GLY237C, GLY239C, GLY91C, HIS13D, HIS188C, HIS191C, HIS192C, HIS31D, HIS34D, HIS67D, HIS93C, ILE124C, ILE1D, ILE22D, ILE64D, ILE95C, LEU206C, LEU230C, LEU65D, LYS186C, LYS243C, LYS3D, LYS58D, MET0D, MET23C, MET51D, MET54D, MET98C, MET99D, PHE241C, PHE30D, PHE36C, PHE56D, PHE62D, PHE8C, PRO14D, PRO15D, PRO235C, PRO32D, PRO33D, SER11D, SER13C, SER246C, SER38C, SER52D, SER55D, SER57D, SER61D, SER92C, THR10C, THR190C, THR200C, THR233C, THR240C, THR28D, THR94C, TRP204C, TRP244C, TRP60D, TRP95D, TYR10D, TYR113C, TYR118C, TYR123C, TYR22C, TYR26D, TYR27C, TYR63D, TYR7C, VAL116C, VAL12C, VAL231C, VAL25C, VAL27D, VAL9C, VAL9D
• C-E: ALA117C, ALA139C, ALA140C, ALA150C, ALA152C, ALA153C, ALA158C, ALA163C, ALA67C, ALA7E, ALA81C, ARG155C, ARG170C, ARG6C, ARG79C, ARG83C, ARG97C, ARG99C, ASN2E, ASN70C, ASP156C, ASP3E, ASP77C, CYS164C, GLN114C, GLN115C, GLN63C, GLN65C, GLU154C, GLU166C, GLU24C, GLU6E, GLU71C, GLY100C, GLY151C, GLY26C, GLY62C, GLY69C, ILE124C, ILE142C, ILE4E, ILE66C, ILE8E, ILE95C, LEU160C, LEU168C, LEU5C, LEU78C, LEU82C, LYS144C, LYS146C, MET23C, MET52C, MET98C, PHE33C, PHE36C, PHE5E, PHE8C, SER73C, SER74C, THR10C, THR143C, THR80C, TRP133C, TRP147C, TRP167C, TRP60C, TYR113C, TYR118C, TYR123C, TYR159C, TYR171C, TYR22C, TYR45C, TYR59C, TYR7C, TYR84C, TYR85C, VAL116C, VAL1E, VAL25C, VAL28C, VAL34C, VAL55C, VAL76C, VAL9C