3FF8

structure of nk cell receptor klrg1 bound to e-cadherin

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 66
  • Norm. En. per Res.: -3.4071
• 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	0.0	0.0	-63.5422	-63.5422	46	1	0	3119	1	17	23
A-C	-53.3205	4.4946	-169.51	-218.3359	65	12	2	6805	0	7	5
B-D	-58.428	4.3232	-170.766	-224.8708	66	8	2	6842	0	6	4
C-D	-10.9394	26.8908	-160.512	-144.5606	60	10	4	6178	0	6	11

Interface residues

• A-B: ARG55A, ARG55B, ASN20A, ASN20B, ASP29A, ASP29B, GLN23A, GLN23B, GLU54A, GLU54B, GLU56A, GLU56B, GLY15A, GLY15B, GLY58A, GLY58B, ILE24A, ILE24B, ILE52A, ILE52B, LYS14A, LYS19A, LYS19B, LYS25A, LYS25B, LYS30B, LYS33A, LYS33B, LYS61A, LYS61B, PHE17A, PHE17B, PHE35B, PRO16A, PRO16B, PRO18A, PRO18B, SER26B, THR57A, THR57B, TRP59A, TRP59B, TYR36A, TYR36B, VAL34A, VAL34B
• A-C: ALA165C, ALA173C, ALA179C, ARG153C, ARG162C, ARG168C, ARG68A, ASN157C, ASN169C, ASN27A, ASP100A, ASP129C, ASP1A, ASP95C, CYS163C, CYS176C, GLN128C, GLN161C, GLN172C, GLN23A, GLU177C, GLU93A, GLY164C, HIS167C, ILE160C, ILE166C, ILE24A, ILE4A, ILE7A, ILE94A, ILE96A, LEU155C, LEU159C, LEU180C, LEU21A, LEU60A, LEU76A, LEU95A, LEU9A, LYS25A, LYS30A, MET0A, MET92A, PHE130C, PRO10A, PRO5A, PRO6A, PRO91A, SER158C, SER174C, SER175C, SER78A, SER8A, THR156C, THR73A, THR75A, THR97A, THR99A, TRP132C, TRP2A, TYR131C, VAL178C, VAL22A, VAL3A, VAL98A
• B-D: ALA165D, ALA173D, ALA179D, ARG153D, ARG162D, ARG168D, ARG68B, ASN157D, ASN169D, ASN27B, ASP129D, ASP1B, CYS163D, CYS176D, GLN128D, GLN161D, GLN172D, GLN23B, GLU177D, GLU89B, GLU93B, GLY164D, HIS167D, ILE160D, ILE166D, ILE24B, ILE4B, ILE7B, ILE94B, ILE96B, LEU155D, LEU159D, LEU180D, LEU21B, LEU60B, LEU76B, LEU95B, LEU9B, LYS14B, LYS25B, LYS30B, LYS93D, MET0B, MET92B, PHE130D, PHE77B, PRO10B, PRO5B, PRO6B, SER158D, SER174D, SER175D, SER78B, SER8B, THR156D, THR75B, THR97B, THR99B, TRP132D, TRP2B, TRP59B, TYR131D, TYR74B, VAL178D, VAL22B, VAL3B
• C-D: ARG168C, ARG168D, ARG81C, ARG81D, ASN82C, ASN82D, ASP129C, ASP129D, CYS75C, CYS75D, CYS86C, CYS86D, GLN128C, GLN128D, GLN181C, GLN181D, GLU124C, GLU124D, GLU92C, GLU92D, GLY123C, GLY123D, GLY127C, GLY127D, GLY83C, GLY83D, HIS85C, HIS85D, ILE183C, ILE183D, ILE77C, ILE77D, LEU126C, LEU126D, LEU78C, LEU78D, LYS93C, LYS93D, MET91C, MET91D, PHE122C, PHE122D, PHE89C, PHE89D, PRO76C, PRO76D, SER90C, SER90D, THR80C, THR80D, TRP79C, TRP79D, TYR125C, TYR125D, TYR131C, TYR131D, TYR87C, TYR87D, TYR88C, TYR88D