2Q86

structure of the mouse invariant nkt cell receptor valpha14

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 104
  • Norm. En. per Res.: -4.1642
• 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	-104.444	-12.3153	136.719	19.9597	188	23	11	20215	5	33	39
A-C	-131.0959	-40.4124	-261.57	-433.0782	104	15	1	10502	6	18	12
A-D	-3.1738	-15.0884	-57.7208	-75.9831	48	1	0	2235	2	12	13
B-C	0.0	-4.108	-39.8534	-43.9614	32	2	0	1725	0	10	11
C-D	-94.5837	-4.3972	288.93	189.9491	186	32	13	19184	6	31	36

Interface residues

• A-B: ALA103B, ALA117A, ALA129B, ALA132B, ALA137B, ALA143B, ALA171A, ALA173A, ALA190B, ALA191A, ALA229B, ALA231B, ALA92B, ALA97A, ARG106B, ARG125A, ARG144B, ARG185B, ARG187B, ARG234B, ARG33A, ARG36B, ARG44B, ARG94A, ARG9B, ASN113A, ASN133B, ASN169A, ASN176A, ASN190A, ASN30B, ASN31B, ASP123A, ASP128A, ASP136A, ASP155A, ASP160A, ASP169B, ASP38A, ASP38B, ASP59B, ASP93A, CYS132A, CYS141B, CYS157A, CYS167B, CYS181B, CYS89A, CYS91B, GLN104A, GLN120A, GLN135B, GLN171B, GLN2A, GLN37A, GLN37B, GLN5A, GLN8A, GLU115A, GLU125B, GLU130B, GLU152B, GLU175B, GLU230B, GLU56B, GLY100A, GLY102A, GLY102B, GLY104B, GLY145B, GLY150A, GLY165B, GLY170A, GLY40A, GLY40B, GLY42A, GLY42B, GLY51B, GLY58B, GLY92A, GLY94B, GLY95A, GLY95B, GLY96B, GLY97B, HIS163B, HIS31A, HIS41B, HIS47B, ILE106A, ILE131B, ILE153A, ILE172A, LEU121A, LEU123B, LEU131A, LEU133A, LEU139B, LEU142B, LEU159A, LEU182B, LEU186B, LEU43A, LEU43B, LEU45A, LEU45B, LEU98A, LEU99B, LYS120B, LYS122A, LYS128B, LYS134B, LYS136B, LYS145A, LYS156A, LYS162A, LYS167A, LYS174B, LYS41A, LYS57B, MET161A, MET32B, PHE101B, PHE124B, PHE134A, PHE137A, PHE152A, PHE192B, PHE88A, PHE90B, PHE99A, PRO114A, PRO116A, PRO124A, PRO126B, PRO170B, SER101A, SER122B, SER126A, SER127B, SER129A, SER164B, SER166A, SER168A, SER175A, SER176B, SER179B, SER183B, SER184B, SER189B, SER228B, SER49B, SER96A, THR130A, THR135A, THR138B, THR151A, THR154A, THR168B, THR1A, THR39A, THR39B, THR84A, THR86A, THR98B, TRP155B, TRP174A, TRP193B, TRP232B, TYR100B, TYR119A, TYR173B, TYR180B, TYR33B, TYR35A, TYR35B, TYR48B, TYR50B, VAL118A, VAL121B, VAL140B, VAL158A, VAL166B, VAL188B, VAL44A, VAL48A, VAL88B, VAL90A
• A-C: ARG13A, ARG13C, ASN113A, ASN113C, ASN142A, ASN142C, ASN169A, ASN169C, ASN17A, ASN17C, ASN23A, ASN23C, ASP138A, ASP138C, CB6.98982-35.03879, CYS18A, CYS18C, CYS22A, CYS22C, GLN104A, GLN104C, GLN112A, GLN112C, GLN140A, GLN140C, GLN14A, GLN14C, GLN21A, GLN21C, GLN2A, GLN2C, GLN5A, GLN5C, GLN8A, GLN8C, GLU16A, GLU16C, GLU4A, GLU4C, GLY100A, GLY100C, GLY102A, GLY102C, HIS71A, HIS71C, ILE106A, ILE106C, ILE108A, ILE108C, ILE111A, ILE111C, ILE141A, ILE141C, LEU105A, LEU105C, LEU10A, LEU10C, LEU20A, LEU20C, LYS0A, LYS0A5, LYS0C, LYS145A, LYS145C, LYS156A, LYS156C, MET147C, PHE152A, PHE99C, PRO109A, PRO109C, PRO114A, PRO114C, PRO116A, PRO116C, PRO7A, PRO7C, SER101A, SER101C, SER139A, SER139C, SER6A, SER6C, SER9A, SER9C, THR103A, THR103C, THR1A, THR1C, THR73A, THR73C, TYR110A, TYR110C, VAL107A, VAL107C, VAL11A, VAL11C, VAL12A, VAL12C, VAL143A, VAL19A, VAL19C, VAL3A, VAL3C
• A-D: ALA172D, ARG13A, ARG36D, ARG44D, ASN142A, ASN177D, ASP138A, ASP184A, ASP38D, GLN140A, GLN177A, GLN85D, GLU111D, GLU148A, GLU175D, GLU188A, GLY150A, GLY40D, GLY42D, HIS41D, ILE141A, ILE60D, LYS174D, LYS187A, MET147A, PHE134A, PHE137A, PHE147D, PHE180A, PRO116A, PRO144A, PRO83D, SER139A, SER149A, SER176D, SER179D, SER84D, THR146A, THR151A, THR189A, THR39D, THR82D, THR86D, TYR173D, TYR178D, TYR180D, VAL109D, VAL143A
• B-C: ARG44B, ASN142C, ASN177B, ASP138C, ASP38B, GLN140C, GLN177C, GLU148C, GLU175B, GLU188C, GLY40B, GLY42B, HIS41B, ILE141C, LYS145C, LYS174B, LYS187C, MET147C, PHE180C, PRO144C, PRO83B, SER139C, SER149C, SER176B, SER179B, SER84B, THR146C, THR39B, TYR173B, TYR178B, TYR180B, VAL143C
• C-D: ALA103D, ALA117C, ALA129D, ALA132D, ALA137D, ALA143D, ALA171C, ALA173C, ALA190D, ALA191C, ALA229D, ALA231D, ALA92D, ALA97C, ARG106D, ARG125C, ARG144D, ARG185D, ARG187D, ARG234D, ARG33C, ARG36D, ARG44D, ARG94C, ARG9D, ASN113C, ASN133D, ASN169C, ASN176C, ASN190C, ASN30C, ASN31D, ASP123C, ASP128C, ASP136C, ASP155C, ASP160C, ASP169D, ASP38C, ASP38D, ASP59D, ASP93C, CYS132C, CYS141D, CYS157C, CYS167D, CYS181D, CYS89C, CYS91D, GLN104C, GLN120C, GLN135D, GLN171D, GLN37C, GLN37D, GLN5C, GLN8C, GLU115C, GLU125D, GLU130D, GLU152D, GLU175D, GLU230D, GLY100C, GLY102C, GLY102D, GLY104D, GLY145D, GLY150C, GLY165D, GLY170C, GLY40C, GLY40D, GLY42C, GLY42D, GLY58D, GLY92C, GLY94D, GLY95C, GLY95D, GLY96D, GLY97D, HIS163D, HIS31C, HIS41D, ILE106C, ILE131D, ILE153C, ILE172C, LEU121C, LEU123D, LEU131C, LEU133C, LEU139D, LEU142D, LEU159C, LEU182D, LEU186D, LEU43C, LEU43D, LEU45C, LEU45D, LEU98C, LEU99D, LYS122C, LYS128D, LYS134D, LYS136D, LYS145C, LYS156C, LYS162C, LYS167C, LYS174D, LYS41C, MET161C, PHE101D, PHE124D, PHE134C, PHE137C, PHE152C, PHE192D, PHE88C, PHE90D, PHE99C, PRO114C, PRO116C, PRO124C, PRO126D, PRO170D, SER101C, SER122D, SER126C, SER127D, SER129C, SER149C, SER164D, SER166C, SER168C, SER175C, SER176D, SER179D, SER183D, SER184D, SER189D, SER228D, SER49D, SER96C, THR130C, THR135C, THR138D, THR151C, THR154C, THR168D, THR189C, THR192C, THR1C, THR39C, THR39D, THR84C, THR86C, THR98D, TRP155D, TRP174C, TRP193D, TRP232D, TYR100D, TYR119C, TYR173D, TYR180D, TYR33D, TYR35C, TYR35D, TYR48D, TYR50D, VAL118C, VAL121D, VAL140D, VAL158C, VAL166D, VAL188D, VAL44C, VAL48C, VAL50C, VAL88D, VAL90C, VAL91C