3QQ3

crystal structure of swine major histocompatibility complex class i sla-1 0401 and identification of 2009 pandemic swine-origin influenza a h1n1 virus cytotoxic t lymphocyte epitope peptides

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 84
  • Norm. En. per Res.: -4.4763
• 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	-43.9638	-95.7816	-367.537	-507.2824	131	16	3	12767	5	35	38
A-C	-29.2438	-42.3804	-284.572	-356.1962	83	23	0	9285	2	7	6
A-D	0.0	-5.6561	-29.9178	-35.5739	25	1	0	1402	0	12	10
B-D	0.0	-15.5095	-34.6118	-50.1213	51	1	0	2108	1	23	21
D-E	-39.4213	-87.7171	-368.825	-495.9634	130	16	3	12889	3	35	37
D-F	-44.1053	-45.9205	-285.983	-376.0087	84	18	0	9237	2	7	6

Interface residues

• A-B: ALA117A, ALA11A, ALA121A, ALA125A, ALA17B, ALA246A, ALA24A, ALA4B, ARG114A, ARG14A, ARG14B, ARG17A, ARG191A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG5B, ARG98B, ASN23B, ASN26B, ASP116A, ASP119A, ASP122A, ASP238A, ASP30A, ASP37A, ASP54B, ASP60B, ASP97B, ASP99B, CYS27B, GLN10B, GLN115A, GLN242A, GLN32A, GLN36B, GLN52B, GLN87A, GLN96A, GLU229A, GLU232A, GLU46A, GLY120A, GLY207A, GLY237A, GLY239A, GLY26A, GLY31B, GLY91A, HIS100B, HIS15B, HIS188A, HIS192A, HIS33B, HIS68B, HIS93A, ILE124A, ILE23A, LEU206A, LEU230A, LEU55B, LEU65B, LEU66B, LEU95A, LYS186A, LYS211A, LYS243A, LYS59B, LYS8B, MET98A, PHE22A, PHE241A, PHE2B, PHE32B, PHE36A, PHE57B, PHE63B, PHE8A, PRO16B, PRO193A, PRO235A, PRO34B, PRO35B, SER13A, SER13B, SER236A, SER30B, SER4A, SER53B, SER56B, SER58B, SER62B, SER6A, SER88A, SER92A, SER97A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP61B, TRP96B, TYR102A, TYR113A, TYR118A, TYR123A, TYR12B, TYR24B, TYR27A, TYR28B, TYR64B, TYR74A, TYR7A, TYR85A, TYR99A, TYR9A, VAL11B, VAL12A, VAL231A, VAL25A, VAL29B, VAL34A, VAL3B, VAL67B, VAL9B
• A-C: ALA117A, ALA11A, ALA139A, ALA140A, ALA149A, ALA150A, ALA24A, ALA71A, ARG114A, ARG155A, ARG156A, ARG157A, ARG170A, ARG62A, ARG65A, ASN1C, ASN66A, ASN79A, ASP116A, ASP151A, ASP3C, CYS164A, GLN115A, GLN72A, GLN96A, GLU152A, GLU166A, GLU55A, GLU63A, GLU69A, GLY100A, GLY26A, GLY6C, GLY75A, GLY77A, ILE124A, ILE142A, ILE52A, LEU160A, LEU163A, LEU168A, LEU5A, LEU78A, LEU81A, LEU95A, LYS144A, LYS146A, LYS68A, MET45A, PHE22A, PHE33A, SER158A, SER167A, SER2C, SER6A, SER8C, SER97A, THR143A, THR4C, THR64A, THR70A, THR73A, THR80A, TRP133A, TRP147A, TRP7C, TRP9C, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR74A, TYR7A, TYR84A, TYR99A, TYR9A, VAL165A, VAL28A, VAL34A, VAL5C, VAL67A, VAL76A
• A-D: ALA90A, ARG131D, ARG14A, ARG157D, ARG169D, ARG17A, ASP106D, ASP16A, GLN161D, GLU166D, GLU89A, GLY107D, GLY162D, GLY18A, GLY91A, HIS93A, LEU103D, LEU108D, LEU109D, PRO15A, SER13A, SER88A, SER92A, VAL12A, VAL165D
• B-D: ALA182D, ARG181D, ARG82B, ASN44B, ASN49B, ASP106D, ASP89B, CYS81B, GLN180D, GLN262D, GLN267D, GLN36B, GLN78B, GLU183D, GLU264D, GLU268D, GLU38B, GLU46B, GLY104D, GLY107D, GLY1D, GLY265D, GLY45B, HIS3D, HIS85B, ILE37B, ILE93B, LEU103D, LEU108D, LEU110D, LEU266D, LEU42B, LEU88B, LYS176D, LYS43B, LYS47B, LYS84B, LYS90B, LYS95B, PRO105D, PRO184D, PRO269D, PRO2D, PRO34B, PRO91B, SER80B, THR87B, TRP96B, TYR79B, VAL86B, VAL94B
• D-E: ALA117D, ALA11D, ALA121D, ALA125D, ALA17E, ALA246D, ALA24D, ALA4E, ARG114D, ARG14D, ARG14E, ARG191D, ARG202D, ARG21D, ARG234D, ARG35D, ARG48D, ARG5E, ARG98E, ASN23E, ASN26E, ASN86D, ASP116D, ASP119D, ASP122D, ASP238D, ASP30D, ASP37D, ASP54E, ASP60E, ASP97E, ASP99E, CYS27E, GLN10E, GLN115D, GLN242D, GLN32D, GLN36E, GLN52E, GLN87D, GLN96D, GLU229D, GLU232D, GLU46D, GLY120D, GLY207D, GLY237D, GLY239D, GLY26D, GLY31E, GLY91D, HIS100E, HIS15E, HIS188D, HIS192D, HIS33E, HIS68E, HIS93D, ILE124D, ILE23D, LEU206D, LEU230D, LEU55E, LEU65E, LEU66E, LEU95D, LYS186D, LYS211D, LYS243D, LYS59E, LYS8E, MET98D, PHE22D, PHE241D, PHE2E, PHE32E, PHE36D, PHE57E, PHE63E, PHE8D, PRO16E, PRO193D, PRO235D, PRO34E, PRO35E, SER13D, SER13E, SER236D, SER30E, SER4D, SER53E, SER56E, SER58E, SER62E, SER6D, SER88D, SER92D, SER97D, THR10D, THR190D, THR200D, THR233D, THR240D, THR94D, TRP204D, TRP244D, TRP61E, TRP96E, TYR102D, TYR113D, TYR118D, TYR123D, TYR12E, TYR24E, TYR27D, TYR28E, TYR64E, TYR7D, TYR85D, TYR99D, TYR9D, VAL11E, VAL12D, VAL231D, VAL25D, VAL29E, VAL34D, VAL3E, VAL67E, VAL9E
• D-F: ALA117D, ALA11D, ALA139D, ALA140D, ALA149D, ALA150D, ALA153D, ALA24D, ALA71D, ARG114D, ARG155D, ARG156D, ARG157D, ARG170D, ARG62D, ARG65D, ASN1F, ASN66D, ASN79D, ASP116D, ASP151D, ASP3F, CYS101D, CYS164D, GLN115D, GLN141D, GLN72D, GLN96D, GLU152D, GLU166D, GLU55D, GLU63D, GLU69D, GLY100D, GLY26D, GLY6F, GLY75D, GLY77D, ILE124D, ILE142D, ILE52D, LEU160D, LEU163D, LEU168D, LEU5D, LEU78D, LEU81D, LEU95D, LYS144D, LYS146D, LYS68D, MET45D, PHE22D, PHE33D, SER167D, SER2F, SER6D, SER8F, SER97D, THR143D, THR4F, THR64D, THR70D, THR73D, THR80D, TRP133D, TRP147D, TRP7F, TRP9F, TYR118D, TYR123D, TYR159D, TYR171D, TYR59D, TYR74D, TYR7D, TYR84D, TYR99D, TYR9D, VAL28D, VAL34D, VAL5F, VAL67D, VAL76D