3TA3

structure of the mouse cd1d-glc-dag-s2-inkt tcr complex

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 55
  • Norm. En. per Res.: -3.6236
• 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	-8.6266	-54.3479	-327.833	-390.8074	125	8	6	11486	2	27	23
A-C	-31.1906	-54.1271	-113.98	-199.2977	55	10	2	4555	7	13	16
A-D	-23.5191	-10.3667	-71.9129	-105.7986	46	5	0	3047	2	10	16
C-D	-89.8223	-17.885	-488.69	-596.3973	206	16	13	20347	6	43	35

Interface residues

• A-B: ALA102A, ALA119A, ALA191A, ALA19A, ALA241A, ALA66B, ARG11A, ARG127A, ARG12B, ARG25A, ARG39A, ARG97B, ASN21B, ASN240A, ASN24B, ASP236A, ASP242A, ASP27A, ASP34A, ASP53B, ASP59B, ASP96B, CYS12A, CYS25B, GLN121A, GLN14A, GLN248A, GLN2B, GLN36A, GLN8B, GLN99A, GLU187A, GLU243A, GLU50B, GLU97A, GLY122A, GLY212A, GLY235A, HIS117A, HIS13B, HIS209A, HIS31B, HIS34B, HIS38A, HIS67B, ILE22B, ILE64B, ILE7B, ILE96A, ILE98A, LEU100A, LEU116A, LEU13A, LEU193A, LEU238A, LEU23B, LEU247A, LEU277A, LEU65B, LYS123A, LYS185A, LYS188A, LYS58B, MET15A, MET51B, MET54B, PHE115A, PHE120A, PHE18A, PHE213A, PHE237A, PHE30B, PHE56B, PHE62B, PRO14B, PRO15B, PRO189A, PRO197A, PRO239A, PRO32B, PRO33B, PRO95A, SER101A, SER11B, SER16A, SER17A, SER194A, SER195A, SER211A, SER28A, SER41A, SER48A, SER52B, SER55B, SER57B, SER61B, THR244A, THR28B, THR50A, THR68B, TRP192A, TRP23A, TRP245A, TRP31A, TRP40A, TRP60B, TRP95B, TYR10B, TYR124A, TYR214A, TYR246A, TYR26B, TYR63B, VAL118A, VAL125A, VAL126A, VAL136A, VAL190A, VAL196A, VAL207A, VAL210A, VAL27B, VAL29A, VAL30A, VAL9B
• A-C: ALA152A, ALA98C, ARG103C, ARG74A, ARG79A, ARG95C, ASN151A, ASN30C, ASP153A, ASP29C, ASP69C, ASP80A, ASP94C, GLN154A, GLN2C, GLN52C, GLN71A, GLN82A, GLU83A, GLY100C, GLY155A, GLY93C, GLY96C, HIS105C, HIS68A, ILE81A, LEU104C, LEU145A, LEU150A, LEU84A, LEU99C, LYS148A, LYS65A, LYS68C, LYS71C, LYS86A, MET69A, MET87A, MET88A, PHE77A, PRO146A, PRO28C, SER157A, SER76A, SER97C, THR156A, THR27C, THR78A, TYR73A, VAL149A, VAL26C, VAL50C, VAL72A, VAL75A, VAL85A
• A-D: ALA152A, ALA52D, ARG21A, ARG79A, ASN151A, ASN28D, ASN30D, ASN31D, ASP153A, ASP80A, ASP95D, GLN154A, GLN82A, GLU56D, GLU83A, GLU96D, GLY155A, GLY51D, GLY53D, GLY58D, GLY94D, GLY97D, ILE147A, LEU145A, LEU150A, LEU45D, LEU84A, LYS148A, LYS57D, LYS86A, MET87A, MET88A, PRO146A, PRO61D, PRO90A, SER49D, SER54D, SER89A, THR55D, THR99D, TYR33D, TYR48D, TYR50D, TYR98D, VAL149A, VAL85A
• C-D: ALA108C, ALA124C, ALA130D, ALA138D, ALA144D, ALA178C, ALA179D, ALA180C, ALA195D, ALA234D, ALA236D, ALA92D, ALA98C, ARG103C, ARG107D, ARG129C, ARG169C, ARG184D, ARG190D, ARG192D, ARG206D, ARG239D, ARG33C, ARG44D, ARG95C, ARG9D, ASN120C, ASN176C, ASN30C, ASN30D, ASN31D, ASP122C, ASP130C, ASP135C, ASP143C, ASP157C, ASP162C, ASP167C, ASP170D, ASP172C, ASP201C, ASP38C, ASP38D, ASP59D, ASP94C, ASP95D, CYS139C, CYS142D, CYS164C, CYS168D, CYS207D, CYS90C, CYS91D, GLN100D, GLN111C, GLN127C, GLN136D, GLN152C, GLN172D, GLN177D, GLN37C, GLN37D, GLN5C, GLN8C, GLU126D, GLU131D, GLU153D, GLU176D, GLU235D, GLU56D, GLU96D, GLY100C, GLY103D, GLY105D, GLY107C, GLY109C, GLY146D, GLY166D, GLY40C, GLY40D, GLY42C, GLY42D, GLY58D, GLY93C, GLY94D, GLY96C, GLY97D, HIS105C, HIS134D, HIS164D, HIS31C, HIS41D, HIS47D, ILE132D, ILE160C, ILE46D, ILE60D, ILE89C, LEU104C, LEU124D, LEU128C, LEU140C, LEU140D, LEU143D, LEU166C, LEU174D, LEU187D, LEU191D, LEU32C, LEU43C, LEU43D, LEU45D, LEU49C, LEU82C, LEU99C, LYS129D, LYS132C, LYS136C, LYS137D, LYS163C, LYS174C, LYS175D, LYS41C, LYS57D, MET168C, MET171C, PHE102D, PHE106C, PHE125D, PHE141C, PHE144C, PHE173C, PHE197D, PHE203C, PHE204C, PHE205D, PHE35C, PHE90D, PRO104D, PRO123C, PRO127D, PRO171D, PRO173D, PRO178D, PRO205C, PRO61D, SER123D, SER128D, SER131C, SER133C, SER133D, SER137C, SER156C, SER165D, SER170C, SER175C, SER177C, SER182C, SER183D, SER186D, SER188D, SER189D, SER194D, SER206C, SER45C, SER97C, THR135D, THR139D, THR142C, THR145D, THR161C, THR169D, THR196D, THR1C, THR39C, THR39D, THR87C, THR99D, TRP156D, TRP181C, TRP198D, TRP237D, TYR101D, TYR126C, TYR159C, TYR185D, TYR33D, TYR35D, TYR48D, TYR50D, TYR98D, VAL122D, VAL125C, VAL138C, VAL141D, VAL158C, VAL165C, VAL167D, VAL179C, VAL193D, VAL3C, VAL44C, VAL48C, VAL50C, VAL88D, VAL91C