IID

A6NMS3_Q8NGL2.1 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	TYR	A	123	L	H	ASP	V	269
R	H	TYR	A	123	L	H	ALA	V	270
R	H	TYR	A	123	L	H	VAL	V	273
R	-	HIS	A	128	L	-	ASN	V	266
R	-	HIS	A	128	L	-	SER	V	267
R	-	HIS	A	128	L	H	ASP	V	269
R	-	HIS	A	128	L	H	ALA	V	270
R	H	GLN	A	131	L	-	SER	V	264
R	H	GLN	A	131	L	-	ASN	V	266
R	H	GLN	A	131	L	-	SER	V	267
R	H	MET	A	135	L	H	ALA	V	270
R	H	LEU	A	154	L	-	ARG	V	293
R	H	ILE	A	194	L	H	ARG	V	302
R	H	MET	A	198	L	H	LYS	V	298
R	H	ILE	A	201	L	H	VAL	V	288
R	H	ILE	A	201	L	H	LEU	V	292
R	H	PHE	A	202	L	-	ARG	V	293
R	H	PRO	A	205	L	H	MET	V	284
R	H	PRO	A	205	L	H	VAL	V	288
R	H	ILE	A	208	L	H	MET	V	284
R	H	ILE	A	208	L	H	LEU	V	30
R	H	ILE	A	208	L	H	LEU	V	33
R	H	ILE	A	208	L	H	ILE	V	34
R	H	PHE	A	209	L	H	PHE	V	277
R	H	PHE	A	209	L	H	VAL	V	281
R	H	PHE	A	209	L	H	LEU	V	285
R	H	ALA	A	212	L	H	LEU	V	30
R	H	THR	A	213	L	H	PHE	V	277
R	H	LEU	A	215	L	H	LEU	V	23
R	H	LEU	A	215	L	H	CYS	V	26
R	H	LEU	A	215	L	H	LEU	V	30
R	H	ILE	A	216	L	H	VAL	V	273
R	H	ILE	A	216	L	H	VAL	V	276
R	H	ILE	A	216	L	H	PHE	V	31
R	H	LEU	A	219	L	-	LEU	V	17
R	H	LEU	A	219	L	-	SER	V	18
R	H	LEU	A	219	L	-	VAL	V	20
R	H	LEU	A	219	L	H	LEU	V	23
R	H	LEU	A	219	L	H	LEU	V	27
R	H	CYS	A	220	L	H	ASP	V	269
R	H	CYS	A	220	L	H	VAL	V	273
R	H	LEU	A	222	L	-	VAL	V	20
R	H	LEU	A	222	L	H	LEU	V	23
R	H	LEU	A	223	L	-	LEU	V	17
R	H	LEU	A	223	L	-	SER	V	18
R	H	LEU	A	223	L	-	ASP	V	19
R	H	LEU	A	223	L	-	VAL	V	20
R	H	THR	A	224	L	H	ASP	V	269
R	H	PHE	A	226	L	-	VAL	V	20

- 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

A6NMS3_Q8NGL2.1 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	CD2	TYR	A	123	L	H	HG23	VAL	V	273
R	H	CE1	TYR	A	123	L	H	HA	ALA	V	270
R	H	CE1	TYR	A	123	L	H	HB3	ALA	V	270
R	H	CE2	TYR	A	123	L	H	HB2	ASP	V	269
R	H	CE2	TYR	A	123	L	H	HA	ALA	V	270
R	H	CE2	TYR	A	123	L	H	HG23	VAL	V	273
R	H	OH	TYR	A	123	L	H	C	ASP	V	269
R	H	OH	TYR	A	123	L	H	O	ASP	V	269
R	H	OH	TYR	A	123	L	H	HB2	ASP	V	269
R	H	OH	TYR	A	123	L	H	N	ALA	V	270
R	H	OH	TYR	A	123	L	H	CA	ALA	V	270
R	H	OH	TYR	A	123	L	H	C	ALA	V	270
R	H	OH	TYR	A	123	L	H	CB	ALA	V	270
R	H	OH	TYR	A	123	L	H	O	ALA	V	270
R	H	OH	TYR	A	123	L	H	H	ALA	V	270
R	H	OH	TYR	A	123	L	H	HA	ALA	V	270
R	H	OH	TYR	A	123	L	H	HB1	ALA	V	270
R	H	OH	TYR	A	123	L	H	HB2	ALA	V	270
R	H	OH	TYR	A	123	L	H	HB3	ALA	V	270
R	H	OH	TYR	A	123	L	H	HB	VAL	V	273
R	H	OH	TYR	A	123	L	H	HG23	VAL	V	273
R	H	CZ	TYR	A	123	L	H	N	ALA	V	270
R	H	CZ	TYR	A	123	L	H	CA	ALA	V	270
R	H	CZ	TYR	A	123	L	H	CB	ALA	V	270
R	H	CZ	TYR	A	123	L	H	HA	ALA	V	270
R	H	CZ	TYR	A	123	L	H	HB3	ALA	V	270
R	H	CZ	TYR	A	123	L	H	HB	VAL	V	273
R	H	CZ	TYR	A	123	L	H	HG23	VAL	V	273
R	-	CG	HIS	A	128	L	H	HB3	ALA	V	270
R	-	CD2	HIS	A	128	L	H	CB	ALA	V	270
R	-	CD2	HIS	A	128	L	H	H	ALA	V	270
R	-	CD2	HIS	A	128	L	H	HB1	ALA	V	270
R	-	CD2	HIS	A	128	L	H	HB2	ALA	V	270
R	-	CD2	HIS	A	128	L	H	HB3	ALA	V	270
R	-	ND1	HIS	A	128	L	-	O	ASN	V	266
R	-	ND1	HIS	A	128	L	-	HA	SER	V	267
R	-	ND1	HIS	A	128	L	H	H	ALA	V	270
R	-	ND1	HIS	A	128	L	H	HB2	ALA	V	270
R	-	ND1	HIS	A	128	L	H	HB3	ALA	V	270
R	-	CE1	HIS	A	128	L	-	O	ASN	V	266
R	-	CE1	HIS	A	128	L	-	CA	SER	V	267
R	-	CE1	HIS	A	128	L	-	C	SER	V	267
R	-	CE1	HIS	A	128	L	-	O	SER	V	267
R	-	CE1	HIS	A	128	L	-	HA	SER	V	267
R	-	CE1	HIS	A	128	L	H	H	ASP	V	269
R	-	CE1	HIS	A	128	L	H	HB3	ASP	V	269
R	-	CE1	HIS	A	128	L	H	N	ALA	V	270
R	-	CE1	HIS	A	128	L	H	CA	ALA	V	270
R	-	CE1	HIS	A	128	L	H	CB	ALA	V	270
R	-	CE1	HIS	A	128	L	H	H	ALA	V	270
R	-	CE1	HIS	A	128	L	H	HB2	ALA	V	270
R	-	CE1	HIS	A	128	L	H	HB3	ALA	V	270
R	-	NE2	HIS	A	128	L	H	HB3	ASP	V	269
R	-	NE2	HIS	A	128	L	H	N	ALA	V	270
R	-	NE2	HIS	A	128	L	H	CA	ALA	V	270
R	-	NE2	HIS	A	128	L	H	CB	ALA	V	270
R	-	NE2	HIS	A	128	L	H	H	ALA	V	270
R	-	NE2	HIS	A	128	L	H	HA	ALA	V	270
R	-	NE2	HIS	A	128	L	H	HB1	ALA	V	270
R	-	NE2	HIS	A	128	L	H	HB2	ALA	V	270
R	-	NE2	HIS	A	128	L	H	HB3	ALA	V	270
R	H	NE2	GLN	A	131	L	-	OG	SER	V	264
R	H	NE2	GLN	A	131	L	-	HB2	SER	V	264
R	H	NE2	GLN	A	131	L	-	HG	SER	V	264
R	H	NE2	GLN	A	131	L	-	HB3	ASN	V	266
R	H	OE1	GLN	A	131	L	-	HB2	SER	V	267
R	H	CE	MET	A	135	L	H	HB1	ALA	V	270
R	H	CD2	LEU	A	154	L	-	HH12	ARG	V	293
R	H	CD2	LEU	A	154	L	-	HH22	ARG	V	293
R	H	CG1	ILE	A	194	L	H	NH2	ARG	V	302
R	H	CG1	ILE	A	194	L	H	HH21	ARG	V	302
R	H	CG1	ILE	A	194	L	H	HH22	ARG	V	302
R	H	CD1	ILE	A	194	L	H	NH2	ARG	V	302
R	H	CD1	ILE	A	194	L	H	HH21	ARG	V	302
R	H	CD1	ILE	A	194	L	H	HH22	ARG	V	302
R	H	SD	MET	A	198	L	H	NZ	LYS	V	298
R	H	SD	MET	A	198	L	H	HZ3	LYS	V	298
R	H	CE	MET	A	198	L	H	CE	LYS	V	298
R	H	CE	MET	A	198	L	H	NZ	LYS	V	298
R	H	CE	MET	A	198	L	H	HE2	LYS	V	298
R	H	CE	MET	A	198	L	H	HZ3	LYS	V	298
R	H	CA	ILE	A	201	L	H	HD13	LEU	V	292
R	H	CB	ILE	A	201	L	H	HD13	LEU	V	292
R	H	O	ILE	A	201	L	H	HG12	VAL	V	288
R	H	CG1	ILE	A	201	L	H	HD13	LEU	V	292
R	H	CG1	ILE	A	201	L	H	HD23	LEU	V	292
R	H	CG2	ILE	A	201	L	H	CB	LEU	V	292
R	H	CG2	ILE	A	201	L	H	CD1	LEU	V	292
R	H	CG2	ILE	A	201	L	H	HB2	LEU	V	292
R	H	CG2	ILE	A	201	L	H	HB3	LEU	V	292
R	H	CG2	ILE	A	201	L	H	HD11	LEU	V	292
R	H	CG2	ILE	A	201	L	H	HD13	LEU	V	292
R	H	CD1	ILE	A	201	L	H	HB3	LEU	V	292
R	H	CD1	ILE	A	201	L	H	HD13	LEU	V	292
R	H	CD1	ILE	A	201	L	H	HD23	LEU	V	292
R	H	CD1	PHE	A	202	L	-	NH2	ARG	V	293
R	H	CD1	PHE	A	202	L	-	HE	ARG	V	293
R	H	CD1	PHE	A	202	L	-	HH21	ARG	V	293
R	H	CE1	PHE	A	202	L	-	NE	ARG	V	293
R	H	CE1	PHE	A	202	L	-	NH2	ARG	V	293
R	H	CE1	PHE	A	202	L	-	CZ	ARG	V	293
R	H	CE1	PHE	A	202	L	-	HG3	ARG	V	293
R	H	CE1	PHE	A	202	L	-	HE	ARG	V	293
R	H	CE1	PHE	A	202	L	-	HH21	ARG	V	293
R	H	CZ	PHE	A	202	L	-	HG3	ARG	V	293
R	H	CZ	PHE	A	202	L	-	HE	ARG	V	293
R	H	CB	PRO	A	205	L	H	HE2	MET	V	284
R	H	CB	PRO	A	205	L	H	HG13	VAL	V	288
R	H	CB	PRO	A	205	L	H	HG22	VAL	V	288
R	H	O	PRO	A	205	L	H	HE1	MET	V	284
R	H	CG	PRO	A	205	L	H	HG13	VAL	V	288
R	H	CG	PRO	A	205	L	H	HG22	VAL	V	288
R	H	CA	ILE	A	208	L	H	HD12	LEU	V	30
R	H	O	ILE	A	208	L	H	HD12	LEU	V	30
R	H	CG1	ILE	A	208	L	H	HD21	LEU	V	33
R	H	CG1	ILE	A	208	L	H	HD23	LEU	V	33
R	H	CG2	ILE	A	208	L	H	CD1	LEU	V	30
R	H	CG2	ILE	A	208	L	H	HD11	LEU	V	30
R	H	CG2	ILE	A	208	L	H	HD12	LEU	V	30
R	H	CG2	ILE	A	208	L	H	CG1	ILE	V	34
R	H	CG2	ILE	A	208	L	H	CD1	ILE	V	34
R	H	CG2	ILE	A	208	L	H	HG12	ILE	V	34
R	H	CG2	ILE	A	208	L	H	HG13	ILE	V	34
R	H	CG2	ILE	A	208	L	H	HD11	ILE	V	34
R	H	CG2	ILE	A	208	L	H	HE1	MET	V	284
R	H	CD1	ILE	A	208	L	H	CD2	LEU	V	33
R	H	CD1	ILE	A	208	L	H	HG	LEU	V	33
R	H	CD1	ILE	A	208	L	H	HD21	LEU	V	33
R	H	CD1	ILE	A	208	L	H	HD23	LEU	V	33
R	H	CG	PHE	A	209	L	H	HG13	VAL	V	281
R	H	CD2	PHE	A	209	L	H	HD1	PHE	V	277
R	H	CD2	PHE	A	209	L	H	HE1	PHE	V	277
R	H	CD2	PHE	A	209	L	H	CG1	VAL	V	281
R	H	CD2	PHE	A	209	L	H	HG11	VAL	V	281
R	H	CD2	PHE	A	209	L	H	HG12	VAL	V	281
R	H	CD2	PHE	A	209	L	H	HG13	VAL	V	281
R	H	CD2	PHE	A	209	L	H	HD12	LEU	V	285
R	H	CE2	PHE	A	209	L	H	CD1	PHE	V	277
R	H	CE2	PHE	A	209	L	H	CE1	PHE	V	277
R	H	CE2	PHE	A	209	L	H	HD1	PHE	V	277
R	H	CE2	PHE	A	209	L	H	HE1	PHE	V	277
R	H	CE2	PHE	A	209	L	H	HG13	VAL	V	281
R	H	CZ	PHE	A	209	L	H	HE1	PHE	V	277
R	H	N	ALA	A	212	L	H	HD23	LEU	V	30
R	H	CA	ALA	A	212	L	H	CD2	LEU	V	30
R	H	CA	ALA	A	212	L	H	HD22	LEU	V	30
R	H	CA	ALA	A	212	L	H	HD23	LEU	V	30
R	H	CB	ALA	A	212	L	H	CD2	LEU	V	30
R	H	CB	ALA	A	212	L	H	HD12	LEU	V	30
R	H	CB	ALA	A	212	L	H	HD22	LEU	V	30
R	H	CB	ALA	A	212	L	H	HD23	LEU	V	30
R	H	CA	THR	A	213	L	H	HZ	PHE	V	277
R	H	CB	THR	A	213	L	H	HZ	PHE	V	277
R	H	CG2	THR	A	213	L	H	HZ	PHE	V	277
R	H	OG1	THR	A	213	L	H	CE1	PHE	V	277
R	H	OG1	THR	A	213	L	H	CZ	PHE	V	277
R	H	OG1	THR	A	213	L	H	HE1	PHE	V	277
R	H	OG1	THR	A	213	L	H	HZ	PHE	V	277
R	H	O	LEU	A	215	L	H	HD22	LEU	V	23
R	H	O	LEU	A	215	L	H	HD23	LEU	V	23
R	H	CD1	LEU	A	215	L	H	HB3	CYS	V	26
R	H	CD1	LEU	A	215	L	H	HD22	LEU	V	30
R	H	CD2	LEU	A	215	L	H	HD21	LEU	V	23
R	H	CD2	LEU	A	215	L	H	HD22	LEU	V	23
R	H	CB	ILE	A	216	L	H	HG12	VAL	V	273
R	H	CB	ILE	A	216	L	H	HG22	VAL	V	273
R	H	O	ILE	A	216	L	H	HG22	VAL	V	273
R	H	CG1	ILE	A	216	L	H	HZ	PHE	V	31
R	H	CG1	ILE	A	216	L	H	HG13	VAL	V	276
R	H	CG2	ILE	A	216	L	H	CB	VAL	V	273
R	H	CG2	ILE	A	216	L	H	CG1	VAL	V	273
R	H	CG2	ILE	A	216	L	H	CG2	VAL	V	273
R	H	CG2	ILE	A	216	L	H	HA	VAL	V	273
R	H	CG2	ILE	A	216	L	H	HG12	VAL	V	273
R	H	CG2	ILE	A	216	L	H	HG13	VAL	V	273
R	H	CG2	ILE	A	216	L	H	HG22	VAL	V	273
R	H	CG2	ILE	A	216	L	H	HG23	VAL	V	273
R	H	CD1	ILE	A	216	L	H	HZ	PHE	V	31
R	H	CD1	ILE	A	216	L	H	CG1	VAL	V	276
R	H	CD1	ILE	A	216	L	H	HB	VAL	V	276
R	H	CD1	ILE	A	216	L	H	HG11	VAL	V	276
R	H	CD1	ILE	A	216	L	H	HG13	VAL	V	276
R	H	CD1	ILE	A	216	L	H	HG23	VAL	V	276
R	H	CA	LEU	A	219	L	-	HG	SER	V	18
R	H	CA	LEU	A	219	L	H	HD12	LEU	V	23
R	H	CB	LEU	A	219	L	-	OG	SER	V	18
R	H	CB	LEU	A	219	L	-	HB2	SER	V	18
R	H	CB	LEU	A	219	L	-	HG	SER	V	18
R	H	CB	LEU	A	219	L	H	HD12	LEU	V	23
R	H	CB	LEU	A	219	L	H	HD23	LEU	V	23
R	H	CB	LEU	A	219	L	H	HD13	LEU	V	27
R	H	O	LEU	A	219	L	-	HG22	VAL	V	20
R	H	CG	LEU	A	219	L	-	O	LEU	V	17
R	H	CG	LEU	A	219	L	-	CA	SER	V	18
R	H	CG	LEU	A	219	L	-	CB	SER	V	18
R	H	CG	LEU	A	219	L	-	OG	SER	V	18
R	H	CG	LEU	A	219	L	-	HA	SER	V	18
R	H	CG	LEU	A	219	L	-	HB2	SER	V	18
R	H	CG	LEU	A	219	L	-	HB3	SER	V	18
R	H	CG	LEU	A	219	L	-	HG	SER	V	18
R	H	CG	LEU	A	219	L	H	HD12	LEU	V	23
R	H	CG	LEU	A	219	L	H	HD23	LEU	V	23
R	H	CG	LEU	A	219	L	H	HD13	LEU	V	27
R	H	CD1	LEU	A	219	L	-	CA	SER	V	18
R	H	CD1	LEU	A	219	L	-	CB	SER	V	18
R	H	CD1	LEU	A	219	L	-	OG	SER	V	18
R	H	CD1	LEU	A	219	L	-	HA	SER	V	18
R	H	CD1	LEU	A	219	L	-	HB2	SER	V	18
R	H	CD1	LEU	A	219	L	-	HB3	SER	V	18
R	H	CD1	LEU	A	219	L	-	HG	SER	V	18
R	H	CD1	LEU	A	219	L	-	CB	VAL	V	20
R	H	CD1	LEU	A	219	L	-	CG2	VAL	V	20
R	H	CD1	LEU	A	219	L	-	H	VAL	V	20
R	H	CD1	LEU	A	219	L	-	HB	VAL	V	20
R	H	CD1	LEU	A	219	L	-	HG21	VAL	V	20
R	H	CD1	LEU	A	219	L	-	HG22	VAL	V	20
R	H	CD1	LEU	A	219	L	H	CD1	LEU	V	23
R	H	CD1	LEU	A	219	L	H	HB2	LEU	V	23
R	H	CD1	LEU	A	219	L	H	HB3	LEU	V	23
R	H	CD1	LEU	A	219	L	H	HD11	LEU	V	23
R	H	CD1	LEU	A	219	L	H	HD12	LEU	V	23
R	H	CD1	LEU	A	219	L	H	HD23	LEU	V	23
R	H	CD1	LEU	A	219	L	H	HD13	LEU	V	27
R	H	CD2	LEU	A	219	L	-	C	LEU	V	17
R	H	CD2	LEU	A	219	L	-	O	LEU	V	17
R	H	CD2	LEU	A	219	L	-	HB3	LEU	V	17
R	H	CD2	LEU	A	219	L	-	N	SER	V	18
R	H	CD2	LEU	A	219	L	-	CA	SER	V	18
R	H	CD2	LEU	A	219	L	-	CB	SER	V	18
R	H	CD2	LEU	A	219	L	-	OG	SER	V	18
R	H	CD2	LEU	A	219	L	-	HA	SER	V	18
R	H	CD2	LEU	A	219	L	-	HB2	SER	V	18
R	H	CD2	LEU	A	219	L	-	HB3	SER	V	18
R	H	CD2	LEU	A	219	L	-	HG	SER	V	18
R	H	CD2	LEU	A	219	L	H	CD1	LEU	V	27
R	H	CD2	LEU	A	219	L	H	HD11	LEU	V	27
R	H	CD2	LEU	A	219	L	H	HD12	LEU	V	27
R	H	CD2	LEU	A	219	L	H	HD13	LEU	V	27
R	H	CD2	LEU	A	219	L	H	HD23	LEU	V	27
R	H	CB	CYS	A	220	L	H	HG23	VAL	V	273
R	H	SG	CYS	A	220	L	H	HB2	ASP	V	269
R	H	SG	CYS	A	220	L	H	CG2	VAL	V	273
R	H	SG	CYS	A	220	L	H	HG21	VAL	V	273
R	H	SG	CYS	A	220	L	H	HG22	VAL	V	273
R	H	SG	CYS	A	220	L	H	HG23	VAL	V	273
R	H	CB	LEU	A	222	L	-	CG2	VAL	V	20
R	H	CB	LEU	A	222	L	-	HG22	VAL	V	20
R	H	CB	LEU	A	222	L	-	HG23	VAL	V	20
R	H	CG	LEU	A	222	L	-	HG22	VAL	V	20
R	H	CD1	LEU	A	222	L	-	HG13	VAL	V	20
R	H	CD1	LEU	A	222	L	-	HG22	VAL	V	20
R	H	CD1	LEU	A	222	L	H	CD1	LEU	V	23
R	H	CD1	LEU	A	222	L	H	HD11	LEU	V	23
R	H	CD1	LEU	A	222	L	H	HD12	LEU	V	23
R	H	CD1	LEU	A	222	L	H	HD13	LEU	V	23
R	H	CG	LEU	A	223	L	-	OG	SER	V	18
R	H	CG	LEU	A	223	L	-	HA	SER	V	18
R	H	CG	LEU	A	223	L	-	H	ASP	V	19
R	H	CG	LEU	A	223	L	-	HG21	VAL	V	20
R	H	CD1	LEU	A	223	L	-	O	LEU	V	17
R	H	CD1	LEU	A	223	L	-	CA	SER	V	18
R	H	CD1	LEU	A	223	L	-	OG	SER	V	18
R	H	CD1	LEU	A	223	L	-	HA	SER	V	18
R	H	CD1	LEU	A	223	L	-	N	ASP	V	19
R	H	CD1	LEU	A	223	L	-	H	ASP	V	19
R	H	CD2	LEU	A	223	L	-	HA	SER	V	18
R	H	CD2	LEU	A	223	L	-	N	ASP	V	19
R	H	CD2	LEU	A	223	L	-	CA	ASP	V	19
R	H	CD2	LEU	A	223	L	-	CB	ASP	V	19
R	H	CD2	LEU	A	223	L	-	H	ASP	V	19
R	H	CD2	LEU	A	223	L	-	HB2	ASP	V	19
R	H	CD2	LEU	A	223	L	-	H	VAL	V	20
R	H	CD2	LEU	A	223	L	-	HG21	VAL	V	20
R	H	OG1	THR	A	224	L	H	OD2	ASP	V	269
R	H	CD2	PHE	A	226	L	-	HG23	VAL	V	20
R	H	CE2	PHE	A	226	L	-	HG23	VAL	V	20

- 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