IID

Q8NGG3_A6NKK0.1 contacts (residues)

Receptor	R: Secondary Structure	R: Residue	R; Chain	R: Residue number	Ligand	L: Secondary Structure	L: Residue	L: Chain	L: Residue Number
R	H	PHE	A	143	L	H	GLU	V	96
R	H	VAL	A	164	L	-	LYS	V	88
R	H	SER	A	165	L	-	LYS	V	88
R	-	SER	A	167	L	-	LYS	V	88
R	H	ARG	A	169	L	-	ALA	V	87
R	H	ARG	A	169	L	-	LYS	V	88
R	H	VAL	A	170	L	-	LYS	V	88
R	H	PRO	A	173	L	H	ASN	V	83
R	H	PRO	A	173	L	-	ALA	V	87
R	H	VAL	A	180	L	H	SER	V	75
R	H	VAL	A	180	L	H	PRO	V	79
R	H	ALA	A	181	L	H	GLU	V	96
R	H	ALA	A	181	L	H	ILE	V	99
R	H	LEU	A	184	L	H	GLN	V	100
R	H	LEU	A	184	L	H	SER	V	103
R	H	LEU	A	184	L	H	TRP	V	72
R	H	LEU	A	184	L	H	THR	V	76
R	H	LEU	A	184	L	H	ILE	V	99
R	H	HIS	A	185	L	H	ILE	V	99
R	H	THR	A	187	L	H	PHE	V	68
R	H	THR	A	187	L	H	TRP	V	72
R	H	ILE	A	188	L	H	PHE	V	102
R	H	ILE	A	188	L	H	SER	V	103
R	H	ILE	A	188	L	H	ILE	V	106
R	H	ILE	A	188	L	H	TRP	V	72
R	H	ILE	A	188	L	H	ILE	V	99
R	H	VAL	A	191	L	H	TYR	V	149
R	H	VAL	A	191	L	H	ILE	V	153
R	H	VAL	A	191	L	H	PHE	V	68
R	H	VAL	A	191	L	H	TRP	V	72
R	H	ALA	A	192	L	H	ILE	V	153
R	-	SER	A	195	L	H	ILE	V	146
R	-	SER	A	195	L	H	TYR	V	149
R	H	THR	A	224	L	H	ILE	V	153
R	H	THR	A	224	L	H	LEU	V	154
R	H	THR	A	224	L	H	LEU	V	157
R	H	LEU	A	228	L	H	PHE	V	102
R	H	LEU	A	228	L	H	LEU	V	157
R	H	TYR	A	231	L	H	PHE	V	164
R	H	PHE	A	232	L	H	PHE	V	102
R	H	PHE	A	232	L	H	ILE	V	99
R	H	SER	A	235	L	H	SER	V	95
R	H	ILE	A	236	L	H	ILE	V	99
R	H	VAL	A	239	L	S	SER	V	93
R	H	VAL	A	239	L	H	SER	V	95

- Title of columns started by 'R:' means Receptor, 'L:' means Ligand
- In the Secondary Structure columns: 'H' means that residues in that row are part of Alpha Helix; 'S' - Beta Sheet

Q8NGG3_A6NKK0.1 contacts (residues & atoms)

Receptor	R: Secondary Structure	R: Atom	R: Residue	R; Chain	R: Residue number	Ligand	L: Secondary Structure	L; Atom	L: Residue	L: Chain	L: Residue Number
R	H	CE1	PHE	A	143	L	H	HG3	GLU	V	96
R	H	CZ	PHE	A	143	L	H	HG3	GLU	V	96
R	H	C	VAL	A	164	L	-	HZ1	LYS	V	88
R	H	C	VAL	A	164	L	-	HZ3	LYS	V	88
R	H	O	VAL	A	164	L	-	NZ	LYS	V	88
R	H	O	VAL	A	164	L	-	HZ1	LYS	V	88
R	H	O	VAL	A	164	L	-	HZ2	LYS	V	88
R	H	O	VAL	A	164	L	-	HZ3	LYS	V	88
R	H	C	SER	A	165	L	-	HZ3	LYS	V	88
R	H	O	SER	A	165	L	-	HZ3	LYS	V	88
R	-	N	SER	A	167	L	-	HZ3	LYS	V	88
R	-	CB	SER	A	167	L	-	NZ	LYS	V	88
R	-	CB	SER	A	167	L	-	HE3	LYS	V	88
R	-	CB	SER	A	167	L	-	HZ1	LYS	V	88
R	-	CB	SER	A	167	L	-	HZ3	LYS	V	88
R	-	OG	SER	A	167	L	-	CE	LYS	V	88
R	-	OG	SER	A	167	L	-	NZ	LYS	V	88
R	-	OG	SER	A	167	L	-	HD3	LYS	V	88
R	-	OG	SER	A	167	L	-	HE2	LYS	V	88
R	-	OG	SER	A	167	L	-	HE3	LYS	V	88
R	-	OG	SER	A	167	L	-	HZ1	LYS	V	88
R	-	OG	SER	A	167	L	-	HZ2	LYS	V	88
R	-	OG	SER	A	167	L	-	HZ3	LYS	V	88
R	H	CA	ARG	A	169	L	-	HA	ALA	V	87
R	H	CA	ARG	A	169	L	-	HG3	LYS	V	88
R	H	CA	ARG	A	169	L	-	HE3	LYS	V	88
R	H	C	ARG	A	169	L	-	HA	ALA	V	87
R	H	C	ARG	A	169	L	-	H	LYS	V	88
R	H	C	ARG	A	169	L	-	HG3	LYS	V	88
R	H	CB	ARG	A	169	L	-	CG	LYS	V	88
R	H	CB	ARG	A	169	L	-	CE	LYS	V	88
R	H	CB	ARG	A	169	L	-	HG3	LYS	V	88
R	H	CB	ARG	A	169	L	-	HE3	LYS	V	88
R	H	O	ARG	A	169	L	-	CA	ALA	V	87
R	H	O	ARG	A	169	L	-	C	ALA	V	87
R	H	O	ARG	A	169	L	-	CB	ALA	V	87
R	H	O	ARG	A	169	L	-	HA	ALA	V	87
R	H	O	ARG	A	169	L	-	HB1	ALA	V	87
R	H	O	ARG	A	169	L	-	HB2	ALA	V	87
R	H	O	ARG	A	169	L	-	N	LYS	V	88
R	H	O	ARG	A	169	L	-	H	LYS	V	88
R	H	O	ARG	A	169	L	-	HG3	LYS	V	88
R	H	CG	ARG	A	169	L	-	HE3	LYS	V	88
R	H	CD	ARG	A	169	L	-	HE2	LYS	V	88
R	H	CD	ARG	A	169	L	-	HE3	LYS	V	88
R	H	CB	VAL	A	170	L	-	HD3	LYS	V	88
R	H	CG2	VAL	A	170	L	-	CG	LYS	V	88
R	H	CG2	VAL	A	170	L	-	CD	LYS	V	88
R	H	CG2	VAL	A	170	L	-	HB2	LYS	V	88
R	H	CG2	VAL	A	170	L	-	HG3	LYS	V	88
R	H	CG2	VAL	A	170	L	-	HD3	LYS	V	88
R	H	CG2	VAL	A	170	L	-	HE3	LYS	V	88
R	H	CG2	VAL	A	170	L	-	HZ3	LYS	V	88
R	H	N	PRO	A	173	L	H	OD1	ASN	V	83
R	H	CA	PRO	A	173	L	H	CG	ASN	V	83
R	H	CA	PRO	A	173	L	H	ND2	ASN	V	83
R	H	CA	PRO	A	173	L	H	OD1	ASN	V	83
R	H	CA	PRO	A	173	L	H	HD22	ASN	V	83
R	H	C	PRO	A	173	L	H	OD1	ASN	V	83
R	H	C	PRO	A	173	L	H	HD22	ASN	V	83
R	H	CB	PRO	A	173	L	H	CG	ASN	V	83
R	H	CB	PRO	A	173	L	H	ND2	ASN	V	83
R	H	CB	PRO	A	173	L	H	OD1	ASN	V	83
R	H	CB	PRO	A	173	L	H	HD22	ASN	V	83
R	H	CB	PRO	A	173	L	-	CB	ALA	V	87
R	H	CB	PRO	A	173	L	-	HB1	ALA	V	87
R	H	CB	PRO	A	173	L	-	HB2	ALA	V	87
R	H	O	PRO	A	173	L	H	OD1	ASN	V	83
R	H	O	PRO	A	173	L	H	HD22	ASN	V	83
R	H	CG	PRO	A	173	L	H	CG	ASN	V	83
R	H	CG	PRO	A	173	L	H	OD1	ASN	V	83
R	H	CG	PRO	A	173	L	H	HD22	ASN	V	83
R	H	CG	PRO	A	173	L	-	CA	ALA	V	87
R	H	CG	PRO	A	173	L	-	CB	ALA	V	87
R	H	CG	PRO	A	173	L	-	HA	ALA	V	87
R	H	CG	PRO	A	173	L	-	HB1	ALA	V	87
R	H	CG	PRO	A	173	L	-	HB2	ALA	V	87
R	H	CD	PRO	A	173	L	H	OD1	ASN	V	83
R	H	CB	VAL	A	180	L	H	HB2	PRO	V	79
R	H	CG1	VAL	A	180	L	H	O	SER	V	75
R	H	CG1	VAL	A	180	L	H	HB2	PRO	V	79
R	H	CG1	VAL	A	180	L	H	HG2	PRO	V	79
R	H	CG2	VAL	A	180	L	H	CB	PRO	V	79
R	H	CG2	VAL	A	180	L	H	CG	PRO	V	79
R	H	CG2	VAL	A	180	L	H	HB2	PRO	V	79
R	H	CG2	VAL	A	180	L	H	HB3	PRO	V	79
R	H	CG2	VAL	A	180	L	H	HG2	PRO	V	79
R	H	CB	ALA	A	181	L	H	HG2	GLU	V	96
R	H	O	ALA	A	181	L	H	HG22	ILE	V	99
R	H	CB	LEU	A	184	L	H	HG21	ILE	V	99
R	H	CB	LEU	A	184	L	H	HG22	ILE	V	99
R	H	CG	LEU	A	184	L	H	CA	THR	V	76
R	H	CG	LEU	A	184	L	H	OG1	THR	V	76
R	H	CG	LEU	A	184	L	H	HA	THR	V	76
R	H	CG	LEU	A	184	L	H	HG23	THR	V	76
R	H	CD1	LEU	A	184	L	H	CA	THR	V	76
R	H	CD1	LEU	A	184	L	H	O	THR	V	76
R	H	CD1	LEU	A	184	L	H	CG2	THR	V	76
R	H	CD1	LEU	A	184	L	H	HA	THR	V	76
R	H	CD1	LEU	A	184	L	H	HG23	THR	V	76
R	H	CD1	LEU	A	184	L	H	HA	GLN	V	100
R	H	CD2	LEU	A	184	L	H	HD1	TRP	V	72
R	H	CD2	LEU	A	184	L	H	HE1	TRP	V	72
R	H	CD2	LEU	A	184	L	H	N	THR	V	76
R	H	CD2	LEU	A	184	L	H	CA	THR	V	76
R	H	CD2	LEU	A	184	L	H	CB	THR	V	76
R	H	CD2	LEU	A	184	L	H	CG2	THR	V	76
R	H	CD2	LEU	A	184	L	H	OG1	THR	V	76
R	H	CD2	LEU	A	184	L	H	HA	THR	V	76
R	H	CD2	LEU	A	184	L	H	HG1	THR	V	76
R	H	CD2	LEU	A	184	L	H	HG23	THR	V	76
R	H	CD2	LEU	A	184	L	H	OG	SER	V	103
R	H	CD2	LEU	A	184	L	H	HG	SER	V	103
R	H	N	HIS	A	185	L	H	HG22	ILE	V	99
R	H	CA	HIS	A	185	L	H	HG22	ILE	V	99
R	H	CB	HIS	A	185	L	H	HG22	ILE	V	99
R	H	CB	HIS	A	185	L	H	HD13	ILE	V	99
R	H	CG2	THR	A	187	L	H	HZ	PHE	V	68
R	H	CG2	THR	A	187	L	H	CD2	TRP	V	72
R	H	CG2	THR	A	187	L	H	CE2	TRP	V	72
R	H	CG2	THR	A	187	L	H	NE1	TRP	V	72
R	H	CG2	THR	A	187	L	H	CH2	TRP	V	72
R	H	CG2	THR	A	187	L	H	CZ2	TRP	V	72
R	H	CG2	THR	A	187	L	H	HZ2	TRP	V	72
R	H	N	ILE	A	188	L	H	HZ2	TRP	V	72
R	H	CA	ILE	A	188	L	H	HZ2	TRP	V	72
R	H	CB	ILE	A	188	L	H	HD1	PHE	V	102
R	H	CB	ILE	A	188	L	H	HE1	PHE	V	102
R	H	CG1	ILE	A	188	L	H	HZ2	TRP	V	72
R	H	CG1	ILE	A	188	L	H	CD1	PHE	V	102
R	H	CG1	ILE	A	188	L	H	HD1	PHE	V	102
R	H	CG1	ILE	A	188	L	H	HE1	PHE	V	102
R	H	CG1	ILE	A	188	L	H	HB3	SER	V	103
R	H	CG1	ILE	A	188	L	H	HD12	ILE	V	106
R	H	CG2	ILE	A	188	L	H	CD1	PHE	V	102
R	H	CG2	ILE	A	188	L	H	CE1	PHE	V	102
R	H	CG2	ILE	A	188	L	H	HD1	PHE	V	102
R	H	CG2	ILE	A	188	L	H	HE1	PHE	V	102
R	H	CD1	ILE	A	188	L	H	O	ILE	V	99
R	H	CD1	ILE	A	188	L	H	CG2	ILE	V	99
R	H	CD1	ILE	A	188	L	H	HG23	ILE	V	99
R	H	CD1	ILE	A	188	L	H	CD1	PHE	V	102
R	H	CD1	ILE	A	188	L	H	HB3	PHE	V	102
R	H	CD1	ILE	A	188	L	H	HD1	PHE	V	102
R	H	CD1	ILE	A	188	L	H	HE1	PHE	V	102
R	H	CD1	ILE	A	188	L	H	HB3	SER	V	103
R	H	C	VAL	A	191	L	H	HD11	ILE	V	153
R	H	CB	VAL	A	191	L	H	CH2	TRP	V	72
R	H	CB	VAL	A	191	L	H	HH2	TRP	V	72
R	H	CB	VAL	A	191	L	H	HZ3	TRP	V	72
R	H	CG1	VAL	A	191	L	H	CZ3	TRP	V	72
R	H	CG1	VAL	A	191	L	H	HH2	TRP	V	72
R	H	CG1	VAL	A	191	L	H	HZ3	TRP	V	72
R	H	CG1	VAL	A	191	L	H	HB2	TYR	V	149
R	H	CG1	VAL	A	191	L	H	HD1	TYR	V	149
R	H	CG1	VAL	A	191	L	H	HD11	ILE	V	153
R	H	CG2	VAL	A	191	L	H	HE1	PHE	V	68
R	H	CG2	VAL	A	191	L	H	HZ	PHE	V	68
R	H	CG2	VAL	A	191	L	H	CH2	TRP	V	72
R	H	CG2	VAL	A	191	L	H	CZ3	TRP	V	72
R	H	CG2	VAL	A	191	L	H	HH2	TRP	V	72
R	H	CG2	VAL	A	191	L	H	HZ3	TRP	V	72
R	H	N	ALA	A	192	L	H	HD11	ILE	V	153
R	H	CA	ALA	A	192	L	H	HD11	ILE	V	153
R	H	CA	ALA	A	192	L	H	HD13	ILE	V	153
R	H	CB	ALA	A	192	L	H	HD13	ILE	V	153
R	-	O	SER	A	195	L	H	HG23	ILE	V	146
R	-	OG	SER	A	195	L	H	HB2	TYR	V	149
R	H	CB	THR	A	224	L	H	HD12	LEU	V	157
R	H	CG2	THR	A	224	L	H	CG2	ILE	V	153
R	H	CG2	THR	A	224	L	H	HG21	ILE	V	153
R	H	CG2	THR	A	224	L	H	HG23	ILE	V	153
R	H	CG2	THR	A	224	L	H	CD1	LEU	V	157
R	H	CG2	THR	A	224	L	H	HD11	LEU	V	157
R	H	CG2	THR	A	224	L	H	HD12	LEU	V	157
R	H	CG2	THR	A	224	L	H	HD13	LEU	V	157
R	H	OG1	THR	A	224	L	H	HD22	LEU	V	154
R	H	OG1	THR	A	224	L	H	HD12	LEU	V	157
R	H	CG	LEU	A	228	L	H	HZ	PHE	V	102
R	H	CG	LEU	A	228	L	H	HD23	LEU	V	157
R	H	CD1	LEU	A	228	L	H	HZ	PHE	V	102
R	H	CD2	LEU	A	228	L	H	CE1	PHE	V	102
R	H	CD2	LEU	A	228	L	H	CZ	PHE	V	102
R	H	CD2	LEU	A	228	L	H	HE1	PHE	V	102
R	H	CD2	LEU	A	228	L	H	HZ	PHE	V	102
R	H	CD2	LEU	A	228	L	H	CD2	LEU	V	157
R	H	CD2	LEU	A	228	L	H	HD23	LEU	V	157
R	H	CB	TYR	A	231	L	H	HZ	PHE	V	164
R	H	CG	TYR	A	231	L	H	HZ	PHE	V	164
R	H	CD1	TYR	A	231	L	H	CZ	PHE	V	164
R	H	CD1	TYR	A	231	L	H	HZ	PHE	V	164
R	H	CG	PHE	A	232	L	H	HG12	ILE	V	99
R	H	CD1	PHE	A	232	L	H	CG1	ILE	V	99
R	H	CD1	PHE	A	232	L	H	HA	ILE	V	99
R	H	CD1	PHE	A	232	L	H	HG12	ILE	V	99
R	H	CD1	PHE	A	232	L	H	HG13	ILE	V	99
R	H	CD1	PHE	A	232	L	H	HG23	ILE	V	99
R	H	CD1	PHE	A	232	L	H	HD11	ILE	V	99
R	H	CE1	PHE	A	232	L	H	CA	ILE	V	99
R	H	CE1	PHE	A	232	L	H	CB	ILE	V	99
R	H	CE1	PHE	A	232	L	H	CG1	ILE	V	99
R	H	CE1	PHE	A	232	L	H	HA	ILE	V	99
R	H	CE1	PHE	A	232	L	H	HG12	ILE	V	99
R	H	CE1	PHE	A	232	L	H	HG13	ILE	V	99
R	H	CE1	PHE	A	232	L	H	HG23	ILE	V	99
R	H	CE1	PHE	A	232	L	H	HB3	PHE	V	102
R	H	CE1	PHE	A	232	L	H	HD1	PHE	V	102
R	H	CE2	PHE	A	232	L	H	CG	PHE	V	102
R	H	CE2	PHE	A	232	L	H	CD1	PHE	V	102
R	H	CE2	PHE	A	232	L	H	CE1	PHE	V	102
R	H	CZ	PHE	A	232	L	H	HA	ILE	V	99
R	H	CZ	PHE	A	232	L	H	HG12	ILE	V	99
R	H	CZ	PHE	A	232	L	H	CB	PHE	V	102
R	H	CZ	PHE	A	232	L	H	CG	PHE	V	102
R	H	CZ	PHE	A	232	L	H	CD1	PHE	V	102
R	H	CZ	PHE	A	232	L	H	CD2	PHE	V	102
R	H	CZ	PHE	A	232	L	H	CE1	PHE	V	102
R	H	CZ	PHE	A	232	L	H	HB2	PHE	V	102
R	H	CZ	PHE	A	232	L	H	HB3	PHE	V	102
R	H	CZ	PHE	A	232	L	H	HD1	PHE	V	102
R	H	C	SER	A	235	L	H	HB2	SER	V	95
R	H	CB	SER	A	235	L	H	HB2	SER	V	95
R	H	O	SER	A	235	L	H	HB2	SER	V	95
R	H	OG	SER	A	235	L	H	HB3	SER	V	95
R	H	CG1	ILE	A	236	L	H	CD1	ILE	V	99
R	H	CG1	ILE	A	236	L	H	HD11	ILE	V	99
R	H	CG1	ILE	A	236	L	H	HD12	ILE	V	99
R	H	CG1	ILE	A	236	L	H	HD13	ILE	V	99
R	H	CD1	ILE	A	236	L	H	CD1	ILE	V	99
R	H	CD1	ILE	A	236	L	H	HD11	ILE	V	99
R	H	CD1	ILE	A	236	L	H	HD12	ILE	V	99
R	H	CD1	ILE	A	236	L	H	HD13	ILE	V	99
R	H	CB	VAL	A	239	L	H	OG	SER	V	95
R	H	CB	VAL	A	239	L	H	HB2	SER	V	95
R	H	CB	VAL	A	239	L	H	HG	SER	V	95
R	H	CG1	VAL	A	239	L	S	HB2	SER	V	93
R	H	CG1	VAL	A	239	L	H	OG	SER	V	95
R	H	CG1	VAL	A	239	L	H	HG	SER	V	95
R	H	CG2	VAL	A	239	L	H	CB	SER	V	95
R	H	CG2	VAL	A	239	L	H	OG	SER	V	95
R	H	CG2	VAL	A	239	L	H	H	SER	V	95
R	H	CG2	VAL	A	239	L	H	HB2	SER	V	95
R	H	CG2	VAL	A	239	L	H	HG	SER	V	95

- Title of columns started by 'R:' means Receptor, 'L:' means Ligand
- In the Secondary Structure columns: 'H' means that residues/atoms in that row are part of Alpha Helix; 'S' - Beta Sheet

Krembil, Jurisica Lab. July 16, 2025 Database: 1.0.4.1