3KYO

crystal structure of hla-g presenting klpaqfyil peptide

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 83
  • Norm. En. per Res.: -4.0119
• 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	-67.0446	-83.6293	-331.549	-482.2228	125	22	3	12643	3	42	34
A-C	0.0	0.0	-2.8036	-2.8036	10	0	1	140	0	2	2
A-D	0.0	-5.9282	-14.025	-19.9532	17	0	0	677	0	14	12
A-P	-37.422	-21.4675	-274.098	-332.9875	83	5	7	9973	2	9	8
B-C	0.0	-7.3249	-4.6537	-11.9786	15	0	0	417	0	13	11
C-D	-56.1608	-79.4963	-344.067	-479.7241	124	16	3	12568	3	43	37
C-Q	-43.0184	-11.434	-266.754	-321.2063	84	19	5	9822	0	8	7

Interface residues

• A-B: ALA10A, ALA117A, ALA11A, ALA125A, ALA236A, ALA246A, ALA24A, ARG111A, ARG115A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97B, ASN24B, ASP102A, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU114A, GLU212A, GLU229A, GLU232A, GLY120A, GLY207A, GLY237A, GLY239A, GLY26A, GLY29B, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS93A, ILE1B, ILE23A, ILE35B, ILE7B, ILE99A, LEU124A, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LEU95A, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET0B, MET25A, MET98A, MET99B, PHE22B, PHE241A, PHE30B, PHE56B, PHE62B, PHE8A, PRO14B, PRO235A, PRO32B, PRO47A, SER11B, SER28B, SER33B, SER4A, SER52B, SER55B, SER57B, SER61B, SER91A, SER92A, SER9A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TRP97A, TYR10B, TYR113A, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR85A, VAL12A, VAL231A, VAL27B, VAL34A, VAL9B
• A-C: ALA41A, ALA41C, ARG17A, ARG17C, PRO43A, PRO43C, SER40A, SER40C, SER42A, SER42C
• A-D: ALA90A, ARG14A, ARG17A, ARG45D, ARG81D, ARG82A, ASP38D, GLU36D, GLU44D, GLU89A, GLY16A, GLY18A, LYS48D, PRO15A, SER88A, SER91A, VAL37D
• A-P: ALA117A, ALA139A, ALA140A, ALA150A, ALA153A, ALA24A, ALA4P, ALA69A, ALA71A, ARG156A, ARG170A, ARG65A, ARG6A, ASN151A, ASN66A, ASN77A, ASP74A, CYS147A, CYS164A, GLN155A, GLN5P, GLN72A, GLN96A, GLU114A, GLU154A, GLU166A, GLU55A, GLU58A, GLU62A, GLU63A, GLY100A, GLY26A, HIS70A, ILE142A, ILE8P, ILE99A, LEU124A, LEU160A, LEU168A, LEU2P, LEU78A, LEU81A, LEU95A, LEU9P, LYS144A, LYS146A, LYS1P, LYS68A, MET25A, MET45A, MET5A, MET76A, PHE22A, PHE33A, PHE36A, PHE6P, PHE8A, PRO3P, SER143A, SER9A, THR163A, THR64A, THR67A, THR73A, THR80A, TRP133A, TRP167A, TRP51A, TRP97A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR7A, TYR7P, TYR84A, TYR85A, VAL152A, VAL28A, VAL34A, VAL52A
• B-C: ALA90C, ARG17C, ARG45B, ARG81B, ARG82C, ASP38B, GLN79C, GLU36B, GLU44B, GLU89C, GLY16C, GLY18C, PRO15C, SER88C, VAL37B
• C-D: ALA10C, ALA117C, ALA11C, ALA125C, ALA236C, ALA246C, ALA24C, ARG115C, ARG12D, ARG14C, ARG17C, ARG202C, ARG21C, ARG234C, ARG35C, ARG3D, ARG48C, ARG6C, ARG97D, ASN24D, ASP119C, ASP122C, ASP238C, ASP30C, ASP34D, ASP37C, ASP53D, ASP59D, ASP96D, ASP98D, CYS203C, CYS25D, GLN242C, GLN2D, GLN32C, GLN87C, GLN8D, GLN96C, GLU114C, GLU212C, GLU229C, GLU232C, GLY120C, GLY207C, GLY237C, GLY239C, GLY29D, HIS13D, HIS188C, HIS191C, HIS192C, HIS31D, HIS51D, HIS93C, ILE1D, ILE23C, ILE35D, ILE7D, ILE99C, LEU124C, LEU206C, LEU230C, LEU54D, LEU64D, LEU65D, LEU95C, LYS121C, LYS186C, LYS243C, LYS58D, LYS6D, MET0D, MET25C, MET98C, MET99D, PHE22D, PHE241C, PHE30D, PHE36C, PHE56D, PHE62D, PHE8C, PRO14D, PRO235C, PRO32D, PRO47C, SER11D, SER13C, SER28D, SER33D, SER52D, SER55D, SER57D, SER61D, SER91C, SER92C, SER9C, THR190C, THR200C, THR233C, THR240C, THR94C, TRP204C, TRP244C, TRP60D, TRP95D, TRP97C, TYR10D, TYR113C, TYR116C, TYR118C, TYR123C, TYR26D, TYR27C, TYR63D, TYR66D, TYR67D, TYR7C, VAL12C, VAL189C, VAL231C, VAL27D, VAL34C, VAL9D
• C-Q: ALA117C, ALA139C, ALA140C, ALA150C, ALA153C, ALA24C, ALA4Q, ALA69C, ALA71C, ARG156C, ARG157C, ARG170C, ARG65C, ARG6C, ASN151C, ASN66C, ASN77C, ASP74C, CYS147C, CYS164C, GLN155C, GLN5Q, GLN72C, GLN96C, GLU114C, GLU154C, GLU166C, GLU55C, GLU58C, GLU62C, GLU63C, GLY100C, GLY26C, HIS70C, ILE142C, ILE8Q, ILE99C, LEU124C, LEU160C, LEU168C, LEU2Q, LEU78C, LEU81C, LEU95C, LEU9Q, LYS144C, LYS146C, LYS1Q, LYS68C, MET25C, MET45C, MET5C, MET76C, PHE22C, PHE33C, PHE36C, PHE6Q, PHE8C, PRO3Q, SER143C, SER9C, THR163C, THR64C, THR67C, THR73C, THR80C, TRP133C, TRP167C, TRP51C, TRP97C, TYR116C, TYR118C, TYR123C, TYR159C, TYR171C, TYR59C, TYR7C, TYR7Q, TYR84C, TYR85C, VAL152C, VAL28C, VAL34C, VAL52C