3QQ4

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: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 130
  • Norm. En. per Res.: -3.9495
• 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	-47.7102	-82.5	-383.23	-513.4403	130	16	3	13340	4	36	40
A-C	-37.4637	-8.8464	-250.436	-296.7461	87	13	5	8810	1	7	6

Interface residues

• A-B: ALA117A, ALA11A, ALA121A, ALA125A, ALA17B, ALA246A, ALA24A, ALA4B, ARG114A, ARG14B, ARG191A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG5B, ARG82A, ARG98B, ASN23B, ASN26B, ASN86A, ASP116A, ASP119A, ASP122A, ASP238A, ASP37A, ASP54B, ASP60B, ASP97B, ASP99B, CYS27B, GLN10B, GLN115A, GLN242A, GLN32A, GLN36B, GLN52B, GLN87A, GLN96A, GLU229A, GLU232A, GLU46A, GLU51B, GLY120A, GLY207A, GLY237A, GLY239A, GLY26A, GLY31B, GLY91A, HIS100B, HIS15B, HIS188A, HIS192A, HIS33B, HIS68B, HIS93A, ILE124A, ILE23A, ILE37B, LEU206A, LEU230A, LEU25B, LEU55B, LEU65B, LEU66B, LEU95A, LYS186A, LYS211A, LYS243A, LYS59B, LYS8B, MET98A, PHE22A, PHE241A, PHE2B, PHE32B, PHE36A, PHE57B, PHE63B, PHE8A, PRO16B, PRO235A, PRO34B, PRO35B, PRO47A, SER13A, SER13B, SER236A, SER30B, SER53B, SER56B, SER58B, SER62B, SER88A, SER92A, SER97A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP61B, TRP96B, TYR102A, TYR113A, TYR118A, TYR123A, TYR12B, TYR24B, TYR27A, TYR28B, TYR64B, TYR7A, TYR85A, TYR99A, TYR9A, VAL11B, VAL12A, VAL231A, VAL25A, VAL29B, VAL34A, VAL3B, VAL67B, VAL9B
• A-C: ALA117A, ALA11A, ALA139A, ALA140A, ALA149A, ALA150A, ALA153A, ALA1C, ALA24A, ALA3C, ALA4C, ALA5C, ALA71A, ALA8C, ARG114A, ARG145A, ARG155A, ARG156A, ARG170A, ARG62A, ARG65A, ASN66A, ASN79A, ASP116A, ASP151A, CYS164A, GLN115A, GLN72A, GLN96A, GLU148A, GLU152A, GLU166A, GLU55A, GLU63A, GLU69A, GLU7C, GLY26A, GLY75A, GLY77A, ILE124A, ILE142A, ILE52A, LEU160A, LEU163A, LEU168A, LEU5A, LEU78A, LEU81A, LEU95A, LYS144A, LYS146A, LYS68A, MET45A, MET98A, PHE22A, PHE33A, PHE36A, PHE8A, SER167A, SER6A, SER97A, THR143A, THR2C, THR64A, THR6C, THR70A, THR73A, THR80A, TRP133A, TRP147A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR74A, TYR7A, TYR84A, TYR99A, TYR9A, TYR9C, VAL165A, VAL25A, VAL28A, VAL34A, VAL67A, VAL76A