3CPL

crystal structure of h-2db in complex with a variant m6a of the np366 peptide from influenza a virus

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 85
  • Norm. En. per Res.: -4.5337
• Hub Node: A(4)

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	-34.1293	-83.1103	-351.372	-468.6116	118	18	1	12392	3	40	39
A-E	-65.7163	-12.8531	-306.793	-385.3624	85	14	1	9446	0	14	8
A-C	-39.2989	0.0	-38.3559	-77.6548	26	6	0	1602	0	2	4
A-D	-8.7264	4.2106	-82.9675	-87.4833	34	2	3	2778	0	12	6
B-C	-6.2361	4.2887	-51.0395	-52.9869	27	3	3	2186	0	11	8
B-D	0.0	0.0	-4.3068	-4.3068	4	0	1	270	0	0	0
C-D	-52.8308	-67.8303	-356.226	-476.887	122	20	1	12714	4	41	37
C-F	-65.5061	-12.6153	-304.332	-382.4534	87	18	1	9423	0	14	7

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA66B, ARG121A, ARG12B, ARG14A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN21B, ASN24B, ASN30A, ASP122A, ASP238A, ASP37A, ASP53B, ASP59B, ASP85B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN87A, 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, LEU114A, LEU206A, LEU230A, LEU65B, LEU95A, LYS186A, LYS243A, LYS3B, LYS58B, MET54B, MET98A, MET99B, PHE116A, PHE241A, PHE30B, PHE56B, PHE62B, PHE74A, PHE8A, PRO14B, PRO15B, PRO193A, PRO235A, PRO32B, PRO33B, SER11B, SER13A, SER246A, SER24A, 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, TYR85A, VAL12A, VAL231A, VAL25A, VAL27B, VAL9B
• A-E: ALA117A, ALA139A, ALA140A, ALA152A, ALA153A, ALA158A, ALA1E, ALA67A, ALA6E, ARG144A, ARG170A, ARG62A, ARG6A, ARG75A, ARG79A, ASN3E, ASN5E, ASN80A, CYS164A, GLN115A, GLN149A, GLN65A, GLN70A, GLN72A, GLN96A, GLN97A, GLU148A, GLU154A, GLU163A, GLU166A, GLU4E, GLU63A, GLU71A, GLU7E, GLU9A, GLY100A, GLY151A, GLY26A, GLY69A, HIS155A, ILE124A, ILE142A, LEU114A, LEU160A, LEU168A, LEU78A, LEU81A, LEU95A, LYS146A, LYS157A, LYS66A, LYS68A, MET52A, MET5A, MET9E, PHE116A, PHE33A, PHE36A, PHE74A, SER150A, SER24A, SER2E, SER77A, SER99A, THR143A, THR64A, THR8E, TRP133A, TRP147A, TRP167A, TRP73A, TYR118A, TYR123A, TYR156A, TYR159A, TYR171A, TYR22A, TYR45A, TYR59A, TYR7A, TYR84A, VAL25A, VAL28A, VAL34A, VAL76A
• A-C: ALA89A, ALA89C, ARG121A, ARG121C, ASN86A, ASN86C, GLN87A, GLN87C, GLY83A, GLY83C, GLY90A, GLY90C, GLY91A, GLY91C, HIS93A, HIS93C, LEU82A, LEU82C, PRO15A, PRO15C, SER88A, SER88C, SER92A, SER92C, TYR85A, TYR85C
• A-D: ALA135A, ALA136A, ALA139A, ALA140A, ALA88D, ARG121A, ARG144A, ARG145A, ASP122A, ASP137A, ASP85D, GLN141A, GLN2D, GLN87A, GLU119A, GLU36D, GLU89D, HIS34D, HIS84D, ILE124A, ILE142A, ILE1D, LYS3D, LYS83D, MET138A, MET87D, PRO90D, SER86D, THR134A, THR4D, TRP133A, TYR118A, TYR123A, TYR85A
• B-C: ALA135C, ALA136C, ALA139C, ALA140C, ALA88B, ARG121C, ARG144C, ASP122C, ASP137C, ASP85B, GLN141C, GLN2B, GLU119C, GLU89B, HIS34B, HIS84B, ILE124C, ILE1B, LYS83B, MET138C, MET87B, PRO90B, SER86B, THR134C, TRP133C, TYR123C, TYR85C
• B-D: GLN2B, GLN2D, ILE1B, ILE1D
• C-D: ALA117C, ALA11C, ALA125C, ALA211C, ALA236C, ALA66D, ARG121C, ARG12D, ARG14C, ARG202C, ARG21C, ARG234C, ARG35C, ARG48C, ARG6C, ARG97D, ASN21D, ASN24D, ASN30C, ASP122C, ASP238C, ASP37C, ASP39C, ASP53D, ASP59D, ASP85D, ASP96D, ASP98D, CYS25D, GLN115C, GLN242C, GLN29D, GLN2D, GLN6D, GLN87C, GLN8D, GLN96C, GLN97C, GLU119C, GLU229C, GLU232C, GLU32C, GLU9C, GLY120C, GLY207C, GLY237C, GLY239C, HIS13D, HIS188C, HIS191C, HIS192C, HIS31D, HIS34D, HIS67D, HIS93C, ILE124C, ILE1D, ILE22D, ILE23C, ILE35D, ILE64D, ILE7D, LEU114C, LEU206C, LEU230C, LEU23D, LEU65D, LEU95C, LYS243C, LYS3D, LYS58D, MET54D, MET98C, MET99D, PHE116C, PHE241C, PHE30D, PHE56D, PHE62D, PHE74C, PHE8C, PRO14D, PRO15D, PRO193C, PRO235C, PRO32D, PRO33D, SER11D, SER13C, SER246C, SER24C, SER52D, SER55D, SER57D, SER61D, SER92C, SER99C, THR10C, THR190C, THR200C, THR233C, THR240C, THR28D, THR94C, TRP204C, TRP244C, TRP60D, TRP95D, TYR10D, TYR113C, TYR118C, TYR123C, TYR26D, TYR27C, TYR63D, TYR7C, TYR85C, VAL12C, VAL231C, VAL25C, VAL27D, VAL9D
• C-F: ALA117C, ALA125C, ALA140C, ALA152C, ALA153C, ALA158C, ALA1F, ALA67C, ALA6F, ARG144C, ARG170C, ARG62C, ARG6C, ARG75C, ARG79C, ASN3F, ASN5F, ASN80C, CYS101C, CYS164C, GLN115C, GLN149C, GLN65C, GLN70C, GLN72C, GLN96C, GLN97C, GLU148C, GLU154C, GLU163C, GLU166C, GLU4F, GLU55C, GLU63C, GLU71C, GLU7F, GLU9C, GLY100C, GLY151C, GLY26C, GLY69C, HIS155C, ILE124C, ILE142C, LEU114C, LEU160C, LEU168C, LEU78C, LEU81C, LEU95C, LYS146C, LYS157C, LYS66C, LYS68C, MET52C, MET5C, MET9F, PHE116C, PHE33C, PHE36C, PHE74C, SER150C, SER24C, SER2F, SER77C, SER99C, THR143C, THR64C, THR8F, TRP133C, TRP147C, TRP167C, TRP73C, TYR118C, TYR123C, TYR156C, TYR159C, TYR171C, TYR22C, TYR45C, TYR59C, TYR7C, TYR84C, TYR85C, VAL28C, VAL34C, VAL76C