2EYT

a structural basis for selection and cross-species reactivity of the semi-invariant nkt cell receptor in cd1d/glycolipid recognition

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 7
  • Norm. En. per Res.: -0.0314
• 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	-69.7939	-63.9425	189.289	55.5526	218	39	13	24281	8	55	44
A-D	0.0	0.0	-0.0706	-0.0706	5	0	0	17	0	0	0
B-C	0.0	0.0	-0.0007	-0.0007	3	0	0	2	0	0	0
B-D	0.0	0.0	-0.22	-0.22	7	0	0	32	0	2	3
C-D	-69.288	-66.8731	176.911	40.75	218	27	13	23802	9	52	42

Interface residues

• A-B: ALA124A, ALA129B, ALA136B, ALA144B, ALA150B, ALA178A, ALA180A, ALA185B, ALA192B, ALA201B, ALA240B, ALA242B, ALA93B, ARG100B, ARG103A, ARG108A, ARG113B, ARG129A, ARG169A, ARG190B, ARG196B, ARG198B, ARG245B, ARG33A, ARG41A, ARG95A, ARG98B, ARG9B, ASN176A, ASN1A, ASN31A, ASP122A, ASP130A, ASP135A, ASP143A, ASP155A, ASP157A, ASP162A, ASP167A, ASP172A, ASP176B, ASP247B, ASP30B, ASP38A, ASP38B, ASP59B, ASP99B, CYS139A, CYS148B, CYS164A, CYS174B, CYS92B, GLN106B, GLN111A, GLN127A, GLN142B, GLN152A, GLN178B, GLN183B, GLN37A, GLN37B, GLN5A, GLN6B, GLN89B, GLU105B, GLU127B, GLU132B, GLU135B, GLU137B, GLU159B, GLU182B, GLU241B, GLU42B, GLU53A, GLY100A, GLY101B, GLY107A, GLY109A, GLY109B, GLY111B, GLY152B, GLY172B, GLY40A, GLY40B, GLY42A, GLY58B, GLY96A, GLY96B, HIS140B, HIS170B, HIS44B, ILE138B, ILE160A, ILE48A, ILE89A, LEU102B, LEU104A, LEU128A, LEU140A, LEU146B, LEU149B, LEU166A, LEU180B, LEU193B, LEU197B, LEU32A, LEU43B, LEU45B, LEU46A, LEU60B, LEU82A, LEU91B, LEU97B, LEU99A, LYS132A, LYS136A, LYS143B, LYS154A, LYS163A, LYS174A, LYS181B, LYS31B, LYS56A, LYS57B, MET168A, MET171A, MET41B, MET49A, PHE106A, PHE108B, PHE131B, PHE141A, PHE144A, PHE153B, PHE173A, PHE193A, PHE203A, PHE203B, PHE204A, PHE51A, PRO110B, PRO121A, PRO123A, PRO133B, PRO177B, PRO179B, PRO184B, PRO205A, PRO39B, PRO43A, SER131A, SER133A, SER134A, SER134B, SER137A, SER139B, SER153A, SER156A, SER170A, SER171B, SER175A, SER177A, SER182A, SER189B, SER194B, SER195B, SER200B, SER30A, SER45A, SER57A, SER85A, SER87A, SER93A, SER94B, SER95B, SER97A, THR113A, THR141B, THR142A, THR145B, THR151B, THR161A, THR175B, THR202B, THR39A, THR47A, THR50A, THR98A, TRP162B, TRP181A, TRP204B, TRP243B, TYR103B, TYR105A, TYR107B, TYR10B, TYR126A, TYR159A, TYR191B, TYR33B, TYR35A, TYR35B, TYR48B, TYR50B, VAL125A, VAL128B, VAL130B, VAL138A, VAL147B, VAL150A, VAL158A, VAL165A, VAL169B, VAL173B, VAL179A, VAL199B, VAL44A, VAL91A
• A-D: ARG83D, GLU63D, GLY96A, PHE51A, SER61D
• B-C: GLN2C, THR25C, VAL52B
• B-D: ARG100B, ASP99B, GLY101B, LEU102B, LEU97B, LYS57D, SER61D
• C-D: ALA124C, ALA129D, ALA136D, ALA144D, ALA150D, ALA178C, ALA180C, ALA192D, ALA201D, ALA240D, ALA242D, ALA246D, ALA93D, ARG100D, ARG103C, ARG108C, ARG113D, ARG129C, ARG169C, ARG190D, ARG196D, ARG198D, ARG245D, ARG33C, ARG41C, ARG95C, ARG98D, ARG9D, ASN176C, ASN1C, ASN31C, ASN58C, ASP122C, ASP130C, ASP135C, ASP143C, ASP157C, ASP162C, ASP167C, ASP172C, ASP176D, ASP201C, ASP247D, ASP30D, ASP38C, ASP59D, ASP99D, CYS139C, CYS148D, CYS164C, CYS174D, CYS92D, GLN106D, GLN111C, GLN127C, GLN142D, GLN152C, GLN178D, GLN183D, GLN205D, GLN37C, GLN37D, GLN5C, GLN6D, GLN89D, GLU105D, GLU127D, GLU132D, GLU135D, GLU137D, GLU159D, GLU182D, GLU241D, GLU42D, GLU53C, GLY100C, GLY101D, GLY107C, GLY109C, GLY109D, GLY111D, GLY152D, GLY172D, GLY244D, GLY40C, GLY40D, GLY42C, GLY51D, GLY58D, GLY96C, GLY96D, HIS140D, HIS170D, HIS44D, ILE118C, ILE138D, ILE160C, ILE48C, ILE89C, LEU102D, LEU104C, LEU128C, LEU140C, LEU146D, LEU149D, LEU166C, LEU180D, LEU193D, LEU197D, LEU32C, LEU43D, LEU45D, LEU46C, LEU60D, LEU82C, LEU91D, LEU97D, LEU99C, LYS132C, LYS136C, LYS143D, LYS154C, LYS163C, LYS174C, LYS181D, LYS31D, LYS56C, LYS57D, MET168C, MET171C, MET41D, MET49C, PHE106C, PHE108D, PHE131D, PHE141C, PHE144C, PHE173C, PHE193C, PHE203C, PHE203D, PHE204C, PHE51C, PRO110D, PRO121C, PRO123C, PRO133D, PRO177D, PRO179D, PRO184D, PRO205C, PRO39D, PRO43C, SER131C, SER133C, SER134C, SER134D, SER137C, SER139D, SER153C, SER156C, SER170C, SER171D, SER175C, SER177C, SER182C, SER194D, SER195D, SER200D, SER239D, SER30C, SER45C, SER49D, SER57C, SER87C, SER93C, SER95D, SER97C, THR141D, THR142C, THR145D, THR151D, THR161C, THR175D, THR202D, THR39C, THR47C, THR50C, THR98C, TRP181C, TRP204D, TRP243D, TYR103D, TYR105C, TYR107D, TYR10D, TYR126C, TYR159C, TYR191D, TYR33D, TYR35C, TYR35D, TYR48D, TYR50D, VAL125C, VAL128D, VAL130D, VAL138C, VAL147D, VAL150C, VAL158C, VAL165C, VAL169D, VAL173D, VAL179C, VAL199D, VAL44C, VAL91C