IID

A6NMS3_Q8NGI0.14 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	103	L	-	HIS	V	269
R	H	PHE	A	103	L	-	ASN	V	270
R	H	LEU	A	106	L	-	ASN	V	270
R	H	PHE	A	28	L	-	ARG	V	172
R	H	ILE	A	301	L	H	ALA	V	24
R	H	TYR	A	305	L	H	GLU	V	23
R	H	TYR	A	305	L	H	ALA	V	24
R	H	TYR	A	305	L	H	HIS	V	26
R	H	TYR	A	305	L	H	ILE	V	27
R	H	TYR	A	305	L	-	ASN	V	90
R	H	LEU	A	308	L	H	ILE	V	27
R	H	LEU	A	308	L	H	TRP	V	28
R	H	LYS	A	309	L	H	ILE	V	27
R	H	CYS	A	312	L	H	TRP	V	88
R	H	CYS	A	312	L	H	PHE	V	89
R	H	SER	A	313	L	H	PHE	V	89
R	H	ASN	A	316	L	H	PHE	V	89
R	H	VAL	A	40	L	-	GLY	V	21
R	H	LEU	A	43	L	-	PRO	V	272
R	H	LEU	A	43	L	H	ASN	V	273
R	H	LEU	A	43	L	H	HIS	V	274
R	H	GLY	A	44	L	-	GLY	V	21
R	H	VAL	A	46	L	-	PRO	V	272
R	H	ALA	A	47	L	-	LEU	V	22
R	H	ALA	A	47	L	H	HIS	V	274
R	H	LEU	A	68	L	-	ASN	V	270
R	H	LEU	A	68	L	-	PRO	V	272
R	H	CYS	A	72	L	-	HIS	V	269
R	H	CYS	A	72	L	-	ASN	V	270
R	H	CYS	A	75	L	-	HIS	V	269
R	H	ALA	A	76	L	-	HIS	V	269
R	H	LEU	A	82	L	-	ARG	V	172
R	H	GLU	A	83	L	-	ARG	V	172
R	-	PHE	A	86	L	-	CYS	V	171
R	-	PHE	A	86	L	-	CYS	V	191

- 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_Q8NGI0.14 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	28	L	-	HA	ARG	V	172
R	H	CE1	PHE	A	28	L	-	HG2	ARG	V	172
R	H	CE2	PHE	A	28	L	-	HG2	ARG	V	172
R	H	CE2	PHE	A	28	L	-	HE	ARG	V	172
R	H	CZ	PHE	A	28	L	-	CA	ARG	V	172
R	H	CZ	PHE	A	28	L	-	CB	ARG	V	172
R	H	CZ	PHE	A	28	L	-	CG	ARG	V	172
R	H	CZ	PHE	A	28	L	-	HA	ARG	V	172
R	H	CZ	PHE	A	28	L	-	HB3	ARG	V	172
R	H	CZ	PHE	A	28	L	-	HG2	ARG	V	172
R	H	O	VAL	A	40	L	-	HA2	GLY	V	21
R	H	CB	LEU	A	43	L	-	HB3	PRO	V	272
R	H	O	LEU	A	43	L	H	HE1	HIS	V	274
R	H	CG	LEU	A	43	L	-	HA	PRO	V	272
R	H	CG	LEU	A	43	L	-	HB3	PRO	V	272
R	H	CD1	LEU	A	43	L	-	HA	PRO	V	272
R	H	CD1	LEU	A	43	L	-	HB3	PRO	V	272
R	H	CD1	LEU	A	43	L	H	N	ASN	V	273
R	H	CD1	LEU	A	43	L	H	H	ASN	V	273
R	H	CD1	LEU	A	43	L	H	HB2	ASN	V	273
R	H	CD2	LEU	A	43	L	-	CA	PRO	V	272
R	H	CD2	LEU	A	43	L	-	CB	PRO	V	272
R	H	CD2	LEU	A	43	L	-	CG	PRO	V	272
R	H	CD2	LEU	A	43	L	-	HA	PRO	V	272
R	H	CD2	LEU	A	43	L	-	HB3	PRO	V	272
R	H	CD2	LEU	A	43	L	-	HG3	PRO	V	272
R	H	CD2	LEU	A	43	L	H	H	ASN	V	273
R	H	N	GLY	A	44	L	-	HA3	GLY	V	21
R	H	CA	GLY	A	44	L	-	O	GLY	V	21
R	H	CA	GLY	A	44	L	-	HA2	GLY	V	21
R	H	CG1	VAL	A	46	L	-	HG2	PRO	V	272
R	H	CB	ALA	A	47	L	-	HG	LEU	V	22
R	H	CB	ALA	A	47	L	-	HD12	LEU	V	22
R	H	CB	ALA	A	47	L	-	HD22	LEU	V	22
R	H	CB	ALA	A	47	L	H	HE1	HIS	V	274
R	H	CG	LEU	A	68	L	-	O	ASN	V	270
R	H	CD1	LEU	A	68	L	-	O	ASN	V	270
R	H	CD1	LEU	A	68	L	-	HG3	PRO	V	272
R	H	CD1	LEU	A	68	L	-	HD2	PRO	V	272
R	H	CD2	LEU	A	68	L	-	O	ASN	V	270
R	H	CA	CYS	A	72	L	-	O	HIS	V	269
R	H	CA	CYS	A	72	L	-	HB3	HIS	V	269
R	H	C	CYS	A	72	L	-	HB3	HIS	V	269
R	H	CB	CYS	A	72	L	-	O	HIS	V	269
R	H	CB	CYS	A	72	L	-	HB3	HIS	V	269
R	H	O	CYS	A	72	L	-	CD2	HIS	V	269
R	H	O	CYS	A	72	L	-	HB3	HIS	V	269
R	H	O	CYS	A	72	L	-	HD2	HIS	V	269
R	H	SG	CYS	A	72	L	-	CA	HIS	V	269
R	H	SG	CYS	A	72	L	-	C	HIS	V	269
R	H	SG	CYS	A	72	L	-	CB	HIS	V	269
R	H	SG	CYS	A	72	L	-	O	HIS	V	269
R	H	SG	CYS	A	72	L	-	HB2	HIS	V	269
R	H	SG	CYS	A	72	L	-	HB3	HIS	V	269
R	H	SG	CYS	A	72	L	-	OD1	ASN	V	270
R	H	CA	CYS	A	75	L	-	HD2	HIS	V	269
R	H	C	CYS	A	75	L	-	CD2	HIS	V	269
R	H	C	CYS	A	75	L	-	HD2	HIS	V	269
R	H	C	CYS	A	75	L	-	HE2	HIS	V	269
R	H	CB	CYS	A	75	L	-	CD2	HIS	V	269
R	H	CB	CYS	A	75	L	-	HD2	HIS	V	269
R	H	O	CYS	A	75	L	-	NE2	HIS	V	269
R	H	O	CYS	A	75	L	-	HD2	HIS	V	269
R	H	O	CYS	A	75	L	-	HE2	HIS	V	269
R	H	N	ALA	A	76	L	-	CD2	HIS	V	269
R	H	N	ALA	A	76	L	-	HD2	HIS	V	269
R	H	N	ALA	A	76	L	-	HE2	HIS	V	269
R	H	CA	ALA	A	76	L	-	CD2	HIS	V	269
R	H	CA	ALA	A	76	L	-	NE2	HIS	V	269
R	H	CA	ALA	A	76	L	-	HD2	HIS	V	269
R	H	CA	ALA	A	76	L	-	HE2	HIS	V	269
R	H	CB	ALA	A	76	L	-	HD2	HIS	V	269
R	H	CB	ALA	A	76	L	-	HE2	HIS	V	269
R	H	C	LEU	A	82	L	-	HH21	ARG	V	172
R	H	O	LEU	A	82	L	-	HH21	ARG	V	172
R	H	N	GLU	A	83	L	-	NH2	ARG	V	172
R	H	N	GLU	A	83	L	-	HH21	ARG	V	172
R	H	N	GLU	A	83	L	-	HH22	ARG	V	172
R	H	CA	GLU	A	83	L	-	NH2	ARG	V	172
R	H	CA	GLU	A	83	L	-	CZ	ARG	V	172
R	H	CA	GLU	A	83	L	-	HE	ARG	V	172
R	H	CA	GLU	A	83	L	-	HH21	ARG	V	172
R	H	CA	GLU	A	83	L	-	HH22	ARG	V	172
R	H	C	GLU	A	83	L	-	NH2	ARG	V	172
R	H	C	GLU	A	83	L	-	HH21	ARG	V	172
R	H	C	GLU	A	83	L	-	HH22	ARG	V	172
R	H	CB	GLU	A	83	L	-	NH2	ARG	V	172
R	H	CB	GLU	A	83	L	-	CZ	ARG	V	172
R	H	CB	GLU	A	83	L	-	HH12	ARG	V	172
R	H	CB	GLU	A	83	L	-	HH21	ARG	V	172
R	H	CB	GLU	A	83	L	-	HH22	ARG	V	172
R	H	O	GLU	A	83	L	-	NH2	ARG	V	172
R	H	O	GLU	A	83	L	-	HH21	ARG	V	172
R	H	O	GLU	A	83	L	-	HH22	ARG	V	172
R	H	CG	GLU	A	83	L	-	NH2	ARG	V	172
R	H	CG	GLU	A	83	L	-	CZ	ARG	V	172
R	H	CG	GLU	A	83	L	-	HH12	ARG	V	172
R	H	CG	GLU	A	83	L	-	HH21	ARG	V	172
R	H	CG	GLU	A	83	L	-	HH22	ARG	V	172
R	H	CD	GLU	A	83	L	-	HH22	ARG	V	172
R	H	OE2	GLU	A	83	L	-	HH22	ARG	V	172
R	-	CB	PHE	A	86	L	-	HB2	CYS	V	191
R	-	CG	PHE	A	86	L	-	HG	CYS	V	171
R	-	CG	PHE	A	86	L	-	HB2	CYS	V	191
R	-	CD1	PHE	A	86	L	-	HG	CYS	V	171
R	-	CD2	PHE	A	86	L	-	HG	CYS	V	171
R	-	CE1	PHE	A	86	L	-	HG	CYS	V	171
R	-	CE2	PHE	A	86	L	-	HG	CYS	V	171
R	-	CZ	PHE	A	86	L	-	HG	CYS	V	171
R	H	CG	PHE	A	103	L	-	CB	HIS	V	269
R	H	CG	PHE	A	103	L	-	CG	HIS	V	269
R	H	CG	PHE	A	103	L	-	ND1	HIS	V	269
R	H	CG	PHE	A	103	L	-	HB2	HIS	V	269
R	H	CG	PHE	A	103	L	-	HB3	HIS	V	269
R	H	CD1	PHE	A	103	L	-	CB	HIS	V	269
R	H	CD1	PHE	A	103	L	-	CG	HIS	V	269
R	H	CD1	PHE	A	103	L	-	ND1	HIS	V	269
R	H	CD1	PHE	A	103	L	-	HB2	HIS	V	269
R	H	CD1	PHE	A	103	L	-	HB3	HIS	V	269
R	H	CD2	PHE	A	103	L	-	CB	HIS	V	269
R	H	CD2	PHE	A	103	L	-	CG	HIS	V	269
R	H	CD2	PHE	A	103	L	-	CD2	HIS	V	269
R	H	CD2	PHE	A	103	L	-	ND1	HIS	V	269
R	H	CD2	PHE	A	103	L	-	CE1	HIS	V	269
R	H	CD2	PHE	A	103	L	-	NE2	HIS	V	269
R	H	CD2	PHE	A	103	L	-	HB2	HIS	V	269
R	H	CD2	PHE	A	103	L	-	HE1	HIS	V	269
R	H	CE1	PHE	A	103	L	-	CB	HIS	V	269
R	H	CE1	PHE	A	103	L	-	CG	HIS	V	269
R	H	CE1	PHE	A	103	L	-	ND1	HIS	V	269
R	H	CE1	PHE	A	103	L	-	HB2	HIS	V	269
R	H	CE1	PHE	A	103	L	-	HB3	HIS	V	269
R	H	CE1	PHE	A	103	L	-	OD1	ASN	V	270
R	H	CE2	PHE	A	103	L	-	CB	HIS	V	269
R	H	CE2	PHE	A	103	L	-	CG	HIS	V	269
R	H	CE2	PHE	A	103	L	-	ND1	HIS	V	269
R	H	CE2	PHE	A	103	L	-	CE1	HIS	V	269
R	H	CE2	PHE	A	103	L	-	HB2	HIS	V	269
R	H	CE2	PHE	A	103	L	-	HE1	HIS	V	269
R	H	CZ	PHE	A	103	L	-	CB	HIS	V	269
R	H	CZ	PHE	A	103	L	-	CG	HIS	V	269
R	H	CZ	PHE	A	103	L	-	ND1	HIS	V	269
R	H	CZ	PHE	A	103	L	-	HB2	HIS	V	269
R	H	CD2	LEU	A	106	L	-	HD22	ASN	V	270
R	H	C	ILE	A	301	L	H	HB1	ALA	V	24
R	H	CB	ILE	A	301	L	H	HB1	ALA	V	24
R	H	O	ILE	A	301	L	H	HB1	ALA	V	24
R	H	CG2	ILE	A	301	L	H	CB	ALA	V	24
R	H	CG2	ILE	A	301	L	H	O	ALA	V	24
R	H	CG2	ILE	A	301	L	H	HB1	ALA	V	24
R	H	CG2	ILE	A	301	L	H	HB2	ALA	V	24
R	H	CG2	ILE	A	301	L	H	HB3	ALA	V	24
R	H	CA	TYR	A	305	L	H	HD13	ILE	V	27
R	H	C	TYR	A	305	L	H	HD13	ILE	V	27
R	H	CB	TYR	A	305	L	H	O	ALA	V	24
R	H	CB	TYR	A	305	L	H	HA	ALA	V	24
R	H	O	TYR	A	305	L	H	CD1	ILE	V	27
R	H	O	TYR	A	305	L	H	HD11	ILE	V	27
R	H	O	TYR	A	305	L	H	HD12	ILE	V	27
R	H	O	TYR	A	305	L	H	HD13	ILE	V	27
R	H	CG	TYR	A	305	L	H	O	ALA	V	24
R	H	CG	TYR	A	305	L	H	HA	ALA	V	24
R	H	CG	TYR	A	305	L	H	HD13	ILE	V	27
R	H	CD2	TYR	A	305	L	H	O	GLU	V	23
R	H	CD2	TYR	A	305	L	H	C	ALA	V	24
R	H	CD2	TYR	A	305	L	H	O	ALA	V	24
R	H	CD2	TYR	A	305	L	H	HA	ALA	V	24
R	H	CD2	TYR	A	305	L	H	CD1	ILE	V	27
R	H	CD2	TYR	A	305	L	H	H	ILE	V	27
R	H	CD2	TYR	A	305	L	H	HG12	ILE	V	27
R	H	CD2	TYR	A	305	L	H	HD11	ILE	V	27
R	H	CD2	TYR	A	305	L	H	HD13	ILE	V	27
R	H	CE2	TYR	A	305	L	H	O	GLU	V	23
R	H	CE2	TYR	A	305	L	H	HA	ALA	V	24
R	H	CE2	TYR	A	305	L	H	HB2	HIS	V	26
R	H	CE2	TYR	A	305	L	H	H	ILE	V	27
R	H	CE2	TYR	A	305	L	H	HG12	ILE	V	27
R	H	CE2	TYR	A	305	L	H	HD11	ILE	V	27
R	H	CE2	TYR	A	305	L	H	HD13	ILE	V	27
R	H	OH	TYR	A	305	L	-	HB2	ASN	V	90
R	H	N	LEU	A	308	L	H	HD12	ILE	V	27
R	H	CA	LEU	A	308	L	H	CD1	ILE	V	27
R	H	CA	LEU	A	308	L	H	HG22	ILE	V	27
R	H	CA	LEU	A	308	L	H	HD11	ILE	V	27
R	H	CA	LEU	A	308	L	H	HD12	ILE	V	27
R	H	CA	LEU	A	308	L	H	HD13	ILE	V	27
R	H	C	LEU	A	308	L	H	CD1	ILE	V	27
R	H	C	LEU	A	308	L	H	HG22	ILE	V	27
R	H	C	LEU	A	308	L	H	HD11	ILE	V	27
R	H	C	LEU	A	308	L	H	HD12	ILE	V	27
R	H	C	LEU	A	308	L	H	HD13	ILE	V	27
R	H	CB	LEU	A	308	L	H	CB	ILE	V	27
R	H	CB	LEU	A	308	L	H	CG1	ILE	V	27
R	H	CB	LEU	A	308	L	H	CG2	ILE	V	27
R	H	CB	LEU	A	308	L	H	CD1	ILE	V	27
R	H	CB	LEU	A	308	L	H	HB	ILE	V	27
R	H	CB	LEU	A	308	L	H	HG22	ILE	V	27
R	H	CB	LEU	A	308	L	H	HD11	ILE	V	27
R	H	CB	LEU	A	308	L	H	HD12	ILE	V	27
R	H	CB	LEU	A	308	L	H	HD13	ILE	V	27
R	H	O	LEU	A	308	L	H	CD1	ILE	V	27
R	H	O	LEU	A	308	L	H	HD11	ILE	V	27
R	H	O	LEU	A	308	L	H	HD12	ILE	V	27
R	H	CG	LEU	A	308	L	H	CB	ILE	V	27
R	H	CG	LEU	A	308	L	H	CG2	ILE	V	27
R	H	CG	LEU	A	308	L	H	CD1	ILE	V	27
R	H	CG	LEU	A	308	L	H	HB	ILE	V	27
R	H	CG	LEU	A	308	L	H	HG21	ILE	V	27
R	H	CG	LEU	A	308	L	H	HG22	ILE	V	27
R	H	CG	LEU	A	308	L	H	HG23	ILE	V	27
R	H	CG	LEU	A	308	L	H	HD12	ILE	V	27
R	H	CG	LEU	A	308	L	H	HD13	ILE	V	27
R	H	CD1	LEU	A	308	L	H	CG2	ILE	V	27
R	H	CD1	LEU	A	308	L	H	HB	ILE	V	27
R	H	CD1	LEU	A	308	L	H	HG21	ILE	V	27
R	H	CD1	LEU	A	308	L	H	HG22	ILE	V	27
R	H	CD1	LEU	A	308	L	H	HD12	ILE	V	27
R	H	CD1	LEU	A	308	L	H	HD13	ILE	V	27
R	H	CD1	LEU	A	308	L	H	CE2	TRP	V	28
R	H	CD1	LEU	A	308	L	H	NE1	TRP	V	28
R	H	CD1	LEU	A	308	L	H	CZ2	TRP	V	28
R	H	CD1	LEU	A	308	L	H	HZ2	TRP	V	28
R	H	CD1	LEU	A	308	L	H	HE1	TRP	V	28
R	H	CD2	LEU	A	308	L	H	CB	ILE	V	27
R	H	CD2	LEU	A	308	L	H	CG1	ILE	V	27
R	H	CD2	LEU	A	308	L	H	CG2	ILE	V	27
R	H	CD2	LEU	A	308	L	H	CD1	ILE	V	27
R	H	CD2	LEU	A	308	L	H	HB	ILE	V	27
R	H	CD2	LEU	A	308	L	H	HG21	ILE	V	27
R	H	CD2	LEU	A	308	L	H	HG22	ILE	V	27
R	H	CD2	LEU	A	308	L	H	HG23	ILE	V	27
R	H	CD2	LEU	A	308	L	H	HD12	ILE	V	27
R	H	CD2	LEU	A	308	L	H	HD13	ILE	V	27
R	H	N	LYS	A	309	L	H	CD1	ILE	V	27
R	H	N	LYS	A	309	L	H	HD11	ILE	V	27
R	H	N	LYS	A	309	L	H	HD12	ILE	V	27
R	H	N	LYS	A	309	L	H	HD13	ILE	V	27
R	H	CA	LYS	A	309	L	H	CD1	ILE	V	27
R	H	CA	LYS	A	309	L	H	HD11	ILE	V	27
R	H	CA	LYS	A	309	L	H	HD12	ILE	V	27
R	H	CB	LYS	A	309	L	H	HD11	ILE	V	27
R	H	C	CYS	A	312	L	H	HE1	PHE	V	89
R	H	CB	CYS	A	312	L	H	HB3	TRP	V	88
R	H	O	CYS	A	312	L	H	HE1	PHE	V	89
R	H	SG	CYS	A	312	L	H	CB	TRP	V	88
R	H	SG	CYS	A	312	L	H	CG	TRP	V	88
R	H	SG	CYS	A	312	L	H	CD2	TRP	V	88
R	H	SG	CYS	A	312	L	H	CE3	TRP	V	88
R	H	SG	CYS	A	312	L	H	HB3	TRP	V	88
R	H	SG	CYS	A	312	L	H	HE3	TRP	V	88
R	H	CA	SER	A	313	L	H	HE1	PHE	V	89
R	H	CB	ASN	A	316	L	H	HE1	PHE	V	89
R	H	CB	ASN	A	316	L	H	HZ	PHE	V	89
R	H	CG	ASN	A	316	L	H	CE1	PHE	V	89
R	H	CG	ASN	A	316	L	H	CZ	PHE	V	89
R	H	CG	ASN	A	316	L	H	HE1	PHE	V	89
R	H	CG	ASN	A	316	L	H	HZ	PHE	V	89
R	H	ND2	ASN	A	316	L	H	CD1	PHE	V	89
R	H	ND2	ASN	A	316	L	H	CE1	PHE	V	89
R	H	ND2	ASN	A	316	L	H	CE2	PHE	V	89
R	H	ND2	ASN	A	316	L	H	CZ	PHE	V	89
R	H	ND2	ASN	A	316	L	H	HE1	PHE	V	89
R	H	ND2	ASN	A	316	L	H	HE2	PHE	V	89
R	H	ND2	ASN	A	316	L	H	HZ	PHE	V	89
R	H	OD1	ASN	A	316	L	H	CZ	PHE	V	89
R	H	OD1	ASN	A	316	L	H	HE1	PHE	V	89
R	H	OD1	ASN	A	316	L	H	HZ	PHE	V	89

- 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