IID

A6NMS3_Q8NGD2.1 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	ARG	A	186	L	H	LEU	V	306
R	H	ARG	A	186	L	H	ASN	V	309
R	-	PRO	A	192	L	H	LYS	V	310
R	H	SER	A	193	L	H	LYS	V	310
R	H	GLU	A	196	L	H	LYS	V	310
R	H	TYR	A	200	L	H	LYS	V	302
R	H	TYR	A	200	L	H	LEU	V	306
R	H	ILE	A	204	L	H	ARG	V	299
R	H	ILE	A	208	L	H	ARG	V	299
R	H	LEU	A	215	L	-	ARG	V	290
R	H	LEU	A	219	L	H	THR	V	241
R	H	LEU	A	219	L	H	ILE	V	245
R	H	LEU	A	222	L	H	ILE	V	245
R	H	LEU	A	223	L	H	THR	V	241
R	H	PHE	A	226	L	H	ILE	V	245
R	H	LEU	A	246	L	H	PHE	V	278
R	H	ILE	A	250	L	H	VAL	V	30
R	H	ILE	A	250	L	H	LEU	V	33
R	H	ILE	A	253	L	H	THR	V	281
R	H	ILE	A	253	L	H	ILE	V	285
R	H	ILE	A	253	L	H	ALA	V	37
R	H	CYS	A	254	L	H	LEU	V	33
R	H	LEU	A	256	L	-	LEU	V	289
R	H	MET	A	257	L	H	LEU	V	33
R	H	MET	A	257	L	H	VAL	V	36
R	H	MET	A	257	L	H	ALA	V	37
R	H	MET	A	257	L	H	VAL	V	40
R	H	ILE	A	259	L	H	LYS	V	302
R	-	PRO	A	261	L	H	LEU	V	301
R	-	PRO	A	261	L	H	LYS	V	302
R	-	PRO	A	261	L	H	PHE	V	305
R	-	PRO	A	261	L	H	LEU	V	44
R	-	SER	A	262	L	H	ASN	V	309
R	-	GLU	A	263	L	H	PHE	V	305
R	-	GLU	A	264	L	-	MET	V	312
R	H	PHE	A	274	L	H	MET	V	29
R	H	PHE	A	274	L	H	SER	V	32
R	H	PHE	A	274	L	H	LEU	V	33
R	H	VAL	A	278	L	H	MET	V	29
R	H	LEU	A	281	L	H	MET	V	29
R	H	LEU	A	282	L	H	PHE	V	26
R	H	LEU	A	282	L	H	MET	V	29
R	H	PHE	A	285	L	H	PHE	V	26
R	H	ILE	A	286	L	H	PHE	V	26
R	-	ARG	A	290	L	H	PHE	V	26

- 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_Q8NGD2.1 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	NE	ARG	A	186	L	H	HB3	ASN	V	309
R	H	NH1	ARG	A	186	L	H	HD21	ASN	V	309
R	H	NH2	ARG	A	186	L	H	HD21	LEU	V	306
R	H	NH2	ARG	A	186	L	H	ND2	ASN	V	309
R	H	NH2	ARG	A	186	L	H	HB3	ASN	V	309
R	H	NH2	ARG	A	186	L	H	HD21	ASN	V	309
R	H	NH2	ARG	A	186	L	H	HD22	ASN	V	309
R	H	CZ	ARG	A	186	L	H	ND2	ASN	V	309
R	H	CZ	ARG	A	186	L	H	HB3	ASN	V	309
R	H	CZ	ARG	A	186	L	H	HD21	ASN	V	309
R	-	CG	PRO	A	192	L	H	HE2	LYS	V	310
R	H	OG	SER	A	193	L	H	HZ2	LYS	V	310
R	H	CB	GLU	A	196	L	H	HZ1	LYS	V	310
R	H	CG	GLU	A	196	L	H	HZ1	LYS	V	310
R	H	CD	GLU	A	196	L	H	CE	LYS	V	310
R	H	CD	GLU	A	196	L	H	NZ	LYS	V	310
R	H	CD	GLU	A	196	L	H	HE2	LYS	V	310
R	H	CD	GLU	A	196	L	H	HE3	LYS	V	310
R	H	CD	GLU	A	196	L	H	HZ1	LYS	V	310
R	H	CD	GLU	A	196	L	H	HZ2	LYS	V	310
R	H	CD	GLU	A	196	L	H	HZ3	LYS	V	310
R	H	OE1	GLU	A	196	L	H	CE	LYS	V	310
R	H	OE1	GLU	A	196	L	H	NZ	LYS	V	310
R	H	OE1	GLU	A	196	L	H	HE2	LYS	V	310
R	H	OE1	GLU	A	196	L	H	HE3	LYS	V	310
R	H	OE1	GLU	A	196	L	H	HZ1	LYS	V	310
R	H	OE1	GLU	A	196	L	H	HZ2	LYS	V	310
R	H	OE1	GLU	A	196	L	H	HZ3	LYS	V	310
R	H	OE2	GLU	A	196	L	H	CE	LYS	V	310
R	H	OE2	GLU	A	196	L	H	NZ	LYS	V	310
R	H	OE2	GLU	A	196	L	H	HE2	LYS	V	310
R	H	OE2	GLU	A	196	L	H	HE3	LYS	V	310
R	H	OE2	GLU	A	196	L	H	HZ1	LYS	V	310
R	H	OE2	GLU	A	196	L	H	HZ2	LYS	V	310
R	H	OE2	GLU	A	196	L	H	HZ3	LYS	V	310
R	H	CD1	TYR	A	200	L	H	HZ2	LYS	V	302
R	H	CE1	TYR	A	200	L	H	CE	LYS	V	302
R	H	CE1	TYR	A	200	L	H	NZ	LYS	V	302
R	H	CE1	TYR	A	200	L	H	HD3	LYS	V	302
R	H	CE1	TYR	A	200	L	H	HE2	LYS	V	302
R	H	CE1	TYR	A	200	L	H	HZ1	LYS	V	302
R	H	CE1	TYR	A	200	L	H	HZ2	LYS	V	302
R	H	CE2	TYR	A	200	L	H	HD12	LEU	V	306
R	H	OH	TYR	A	200	L	H	CD	LYS	V	302
R	H	OH	TYR	A	200	L	H	CE	LYS	V	302
R	H	OH	TYR	A	200	L	H	NZ	LYS	V	302
R	H	OH	TYR	A	200	L	H	HG2	LYS	V	302
R	H	OH	TYR	A	200	L	H	HD3	LYS	V	302
R	H	OH	TYR	A	200	L	H	HE2	LYS	V	302
R	H	OH	TYR	A	200	L	H	HE3	LYS	V	302
R	H	OH	TYR	A	200	L	H	HZ1	LYS	V	302
R	H	OH	TYR	A	200	L	H	HZ2	LYS	V	302
R	H	OH	TYR	A	200	L	H	CG	LEU	V	306
R	H	OH	TYR	A	200	L	H	CD1	LEU	V	306
R	H	OH	TYR	A	200	L	H	HD11	LEU	V	306
R	H	OH	TYR	A	200	L	H	HD12	LEU	V	306
R	H	OH	TYR	A	200	L	H	HD13	LEU	V	306
R	H	CZ	TYR	A	200	L	H	CE	LYS	V	302
R	H	CZ	TYR	A	200	L	H	NZ	LYS	V	302
R	H	CZ	TYR	A	200	L	H	HE2	LYS	V	302
R	H	CZ	TYR	A	200	L	H	HZ1	LYS	V	302
R	H	CZ	TYR	A	200	L	H	HZ2	LYS	V	302
R	H	CZ	TYR	A	200	L	H	CD1	LEU	V	306
R	H	CZ	TYR	A	200	L	H	HD11	LEU	V	306
R	H	CZ	TYR	A	200	L	H	HD12	LEU	V	306
R	H	CZ	TYR	A	200	L	H	HD13	LEU	V	306
R	H	CG2	ILE	A	204	L	H	NH2	ARG	V	299
R	H	CG2	ILE	A	204	L	H	HH21	ARG	V	299
R	H	CG2	ILE	A	204	L	H	HH22	ARG	V	299
R	H	CD1	ILE	A	208	L	H	NH2	ARG	V	299
R	H	CD1	ILE	A	208	L	H	HH21	ARG	V	299
R	H	CD1	ILE	A	208	L	H	HH22	ARG	V	299
R	H	CA	LEU	A	215	L	-	HH22	ARG	V	290
R	H	C	LEU	A	215	L	-	HH22	ARG	V	290
R	H	CB	LEU	A	215	L	-	NH2	ARG	V	290
R	H	CB	LEU	A	215	L	-	HH21	ARG	V	290
R	H	CB	LEU	A	215	L	-	HH22	ARG	V	290
R	H	O	LEU	A	215	L	-	HH22	ARG	V	290
R	H	CG	LEU	A	215	L	-	NH2	ARG	V	290
R	H	CG	LEU	A	215	L	-	HH21	ARG	V	290
R	H	CG	LEU	A	215	L	-	HH22	ARG	V	290
R	H	CD1	LEU	A	215	L	-	NH2	ARG	V	290
R	H	CD1	LEU	A	215	L	-	CZ	ARG	V	290
R	H	CD1	LEU	A	215	L	-	HH21	ARG	V	290
R	H	CD1	LEU	A	215	L	-	HH22	ARG	V	290
R	H	CD2	LEU	A	215	L	-	NH2	ARG	V	290
R	H	CD2	LEU	A	215	L	-	HH21	ARG	V	290
R	H	CD2	LEU	A	215	L	-	HH22	ARG	V	290
R	H	CD1	LEU	A	219	L	H	HG21	THR	V	241
R	H	CD1	LEU	A	219	L	H	HG23	THR	V	241
R	H	CD1	LEU	A	219	L	H	HD11	ILE	V	245
R	H	CD1	LEU	A	222	L	H	CD1	ILE	V	245
R	H	CD1	LEU	A	222	L	H	HG23	ILE	V	245
R	H	CD1	LEU	A	222	L	H	HD11	ILE	V	245
R	H	CD1	LEU	A	222	L	H	HD13	ILE	V	245
R	H	CD2	LEU	A	223	L	H	HG21	THR	V	241
R	H	CE2	PHE	A	226	L	H	HG13	ILE	V	245
R	H	CD1	LEU	A	246	L	H	HE1	PHE	V	278
R	H	CD1	LEU	A	246	L	H	HZ	PHE	V	278
R	H	CA	ILE	A	250	L	H	HD23	LEU	V	33
R	H	C	ILE	A	250	L	H	HD23	LEU	V	33
R	H	CB	ILE	A	250	L	H	CD2	LEU	V	33
R	H	CB	ILE	A	250	L	H	HD21	LEU	V	33
R	H	CB	ILE	A	250	L	H	HD23	LEU	V	33
R	H	O	ILE	A	250	L	H	HD23	LEU	V	33
R	H	CG1	ILE	A	250	L	H	CD2	LEU	V	33
R	H	CG1	ILE	A	250	L	H	HD21	LEU	V	33
R	H	CG1	ILE	A	250	L	H	HD23	LEU	V	33
R	H	CG2	ILE	A	250	L	H	CD2	LEU	V	33
R	H	CG2	ILE	A	250	L	H	HD21	LEU	V	33
R	H	CG2	ILE	A	250	L	H	HD22	LEU	V	33
R	H	CG2	ILE	A	250	L	H	HD23	LEU	V	33
R	H	CD1	ILE	A	250	L	H	HG23	VAL	V	30
R	H	CD1	ILE	A	250	L	H	HD21	LEU	V	33
R	H	CB	ILE	A	253	L	H	HB1	ALA	V	37
R	H	CG1	ILE	A	253	L	H	CD1	ILE	V	285
R	H	CG1	ILE	A	253	L	H	HD11	ILE	V	285
R	H	CG1	ILE	A	253	L	H	HD12	ILE	V	285
R	H	CG2	ILE	A	253	L	H	CA	ALA	V	37
R	H	CG2	ILE	A	253	L	H	CB	ALA	V	37
R	H	CG2	ILE	A	253	L	H	HA	ALA	V	37
R	H	CG2	ILE	A	253	L	H	HB1	ALA	V	37
R	H	CG2	ILE	A	253	L	H	HB2	ALA	V	37
R	H	CG2	ILE	A	253	L	H	HB3	ALA	V	37
R	H	CD1	ILE	A	253	L	H	HB1	ALA	V	37
R	H	CD1	ILE	A	253	L	H	CG2	THR	V	281
R	H	CD1	ILE	A	253	L	H	HG21	THR	V	281
R	H	CD1	ILE	A	253	L	H	HG22	THR	V	281
R	H	CD1	ILE	A	253	L	H	HG23	THR	V	281
R	H	CD1	ILE	A	253	L	H	CD1	ILE	V	285
R	H	CD1	ILE	A	253	L	H	HD11	ILE	V	285
R	H	CB	CYS	A	254	L	H	HD13	LEU	V	33
R	H	SG	CYS	A	254	L	H	CG	LEU	V	33
R	H	SG	CYS	A	254	L	H	CD1	LEU	V	33
R	H	SG	CYS	A	254	L	H	CD2	LEU	V	33
R	H	SG	CYS	A	254	L	H	HG	LEU	V	33
R	H	SG	CYS	A	254	L	H	HD11	LEU	V	33
R	H	SG	CYS	A	254	L	H	HD12	LEU	V	33
R	H	SG	CYS	A	254	L	H	HD13	LEU	V	33
R	H	SG	CYS	A	254	L	H	HD22	LEU	V	33
R	H	SG	CYS	A	254	L	H	HD23	LEU	V	33
R	H	CD1	LEU	A	256	L	-	CD1	LEU	V	289
R	H	CD1	LEU	A	256	L	-	HD11	LEU	V	289
R	H	CD1	LEU	A	256	L	-	HD12	LEU	V	289
R	H	CD1	LEU	A	256	L	-	HD13	LEU	V	289
R	H	CD1	LEU	A	256	L	-	HD22	LEU	V	289
R	H	CA	MET	A	257	L	H	HG12	VAL	V	40
R	H	CB	MET	A	257	L	H	HG12	VAL	V	40
R	H	CG	MET	A	257	L	H	HA	ALA	V	37
R	H	CG	MET	A	257	L	H	CB	VAL	V	40
R	H	CG	MET	A	257	L	H	CG1	VAL	V	40
R	H	CG	MET	A	257	L	H	HB	VAL	V	40
R	H	CG	MET	A	257	L	H	HG11	VAL	V	40
R	H	CG	MET	A	257	L	H	HG12	VAL	V	40
R	H	CG	MET	A	257	L	H	HG23	VAL	V	40
R	H	SD	MET	A	257	L	H	C	VAL	V	36
R	H	SD	MET	A	257	L	H	O	VAL	V	36
R	H	SD	MET	A	257	L	H	CG1	VAL	V	36
R	H	SD	MET	A	257	L	H	HG11	VAL	V	36
R	H	SD	MET	A	257	L	H	N	ALA	V	37
R	H	SD	MET	A	257	L	H	CA	ALA	V	37
R	H	SD	MET	A	257	L	H	CB	ALA	V	37
R	H	SD	MET	A	257	L	H	HA	ALA	V	37
R	H	SD	MET	A	257	L	H	HB3	ALA	V	37
R	H	SD	MET	A	257	L	H	CB	VAL	V	40
R	H	SD	MET	A	257	L	H	HB	VAL	V	40
R	H	SD	MET	A	257	L	H	HG12	VAL	V	40
R	H	SD	MET	A	257	L	H	HG23	VAL	V	40
R	H	CE	MET	A	257	L	H	HD11	LEU	V	33
R	H	CE	MET	A	257	L	H	HD13	LEU	V	33
R	H	CE	MET	A	257	L	H	HG11	VAL	V	36
R	H	CE	MET	A	257	L	H	CA	ALA	V	37
R	H	CE	MET	A	257	L	H	CB	ALA	V	37
R	H	CE	MET	A	257	L	H	HA	ALA	V	37
R	H	CE	MET	A	257	L	H	HB3	ALA	V	37
R	H	CA	ILE	A	259	L	H	HZ3	LYS	V	302
R	H	C	ILE	A	259	L	H	HE3	LYS	V	302
R	H	C	ILE	A	259	L	H	HZ3	LYS	V	302
R	H	CB	ILE	A	259	L	H	HZ3	LYS	V	302
R	H	O	ILE	A	259	L	H	CD	LYS	V	302
R	H	O	ILE	A	259	L	H	CE	LYS	V	302
R	H	O	ILE	A	259	L	H	NZ	LYS	V	302
R	H	O	ILE	A	259	L	H	HG3	LYS	V	302
R	H	O	ILE	A	259	L	H	HD2	LYS	V	302
R	H	O	ILE	A	259	L	H	HE3	LYS	V	302
R	H	O	ILE	A	259	L	H	HZ1	LYS	V	302
R	H	O	ILE	A	259	L	H	HZ3	LYS	V	302
R	H	CG2	ILE	A	259	L	H	CE	LYS	V	302
R	H	CG2	ILE	A	259	L	H	NZ	LYS	V	302
R	H	CG2	ILE	A	259	L	H	HZ1	LYS	V	302
R	H	CG2	ILE	A	259	L	H	HZ2	LYS	V	302
R	H	CG2	ILE	A	259	L	H	HZ3	LYS	V	302
R	-	N	PRO	A	261	L	H	HG3	LYS	V	302
R	-	CA	PRO	A	261	L	H	HA	LYS	V	302
R	-	CA	PRO	A	261	L	H	HG3	LYS	V	302
R	-	CB	PRO	A	261	L	H	HG	LEU	V	301
R	-	CB	PRO	A	261	L	H	HA	LYS	V	302
R	-	CB	PRO	A	261	L	H	CG	PHE	V	305
R	-	CB	PRO	A	261	L	H	CD2	PHE	V	305
R	-	CB	PRO	A	261	L	H	CE2	PHE	V	305
R	-	CB	PRO	A	261	L	H	HB2	PHE	V	305
R	-	CB	PRO	A	261	L	H	HD2	PHE	V	305
R	-	CB	PRO	A	261	L	H	HE2	PHE	V	305
R	-	O	PRO	A	261	L	H	HD22	LEU	V	44
R	-	CG	PRO	A	261	L	H	CD2	LEU	V	44
R	-	CG	PRO	A	261	L	H	HD21	LEU	V	44
R	-	CG	PRO	A	261	L	H	HD22	LEU	V	44
R	-	CG	PRO	A	261	L	H	HD23	LEU	V	44
R	-	CG	PRO	A	261	L	H	HG	LEU	V	301
R	-	CG	PRO	A	261	L	H	HD21	LEU	V	301
R	-	CG	PRO	A	261	L	H	HA	LYS	V	302
R	-	CG	PRO	A	261	L	H	HB2	LYS	V	302
R	-	CG	PRO	A	261	L	H	HD2	PHE	V	305
R	-	CD	PRO	A	261	L	H	CD2	LEU	V	44
R	-	CD	PRO	A	261	L	H	HD22	LEU	V	44
R	-	CD	PRO	A	261	L	H	HD23	LEU	V	44
R	-	CD	PRO	A	261	L	H	HB2	LYS	V	302
R	-	O	SER	A	262	L	H	HD22	ASN	V	309
R	-	CB	GLU	A	263	L	H	HE1	PHE	V	305
R	-	CG	GLU	A	263	L	H	CD1	PHE	V	305
R	-	CG	GLU	A	263	L	H	CE1	PHE	V	305
R	-	CG	GLU	A	263	L	H	CZ	PHE	V	305
R	-	CG	GLU	A	263	L	H	HD1	PHE	V	305
R	-	CG	GLU	A	263	L	H	HE1	PHE	V	305
R	-	CG	GLU	A	263	L	H	HZ	PHE	V	305
R	-	CD	GLU	A	263	L	H	CE1	PHE	V	305
R	-	CD	GLU	A	263	L	H	CZ	PHE	V	305
R	-	CD	GLU	A	263	L	H	HE1	PHE	V	305
R	-	CD	GLU	A	263	L	H	HZ	PHE	V	305
R	-	OE1	GLU	A	263	L	H	CE1	PHE	V	305
R	-	OE1	GLU	A	263	L	H	CZ	PHE	V	305
R	-	OE1	GLU	A	263	L	H	HE1	PHE	V	305
R	-	OE1	GLU	A	263	L	H	HZ	PHE	V	305
R	-	OE2	GLU	A	263	L	H	HE1	PHE	V	305
R	-	OE1	GLU	A	264	L	-	HE3	MET	V	312
R	H	CB	PHE	A	274	L	H	HD12	LEU	V	33
R	H	CG	PHE	A	274	L	H	HD12	LEU	V	33
R	H	CD1	PHE	A	274	L	H	CB	LEU	V	33
R	H	CD1	PHE	A	274	L	H	CD1	LEU	V	33
R	H	CD1	PHE	A	274	L	H	HA	LEU	V	33
R	H	CD1	PHE	A	274	L	H	HB2	LEU	V	33
R	H	CD1	PHE	A	274	L	H	HD11	LEU	V	33
R	H	CD1	PHE	A	274	L	H	HD12	LEU	V	33
R	H	CD1	PHE	A	274	L	H	HD22	LEU	V	33
R	H	CE1	PHE	A	274	L	H	O	MET	V	29
R	H	CE1	PHE	A	274	L	H	HB2	SER	V	32
R	H	CE1	PHE	A	274	L	H	N	LEU	V	33
R	H	CE1	PHE	A	274	L	H	CB	LEU	V	33
R	H	CE1	PHE	A	274	L	H	H	LEU	V	33
R	H	CE1	PHE	A	274	L	H	HA	LEU	V	33
R	H	CE1	PHE	A	274	L	H	HB2	LEU	V	33
R	H	CE1	PHE	A	274	L	H	HD12	LEU	V	33
R	H	CZ	PHE	A	274	L	H	CB	SER	V	32
R	H	CZ	PHE	A	274	L	H	HB2	SER	V	32
R	H	CZ	PHE	A	274	L	H	HB3	SER	V	32
R	H	CZ	PHE	A	274	L	H	HA	LEU	V	33
R	H	CZ	PHE	A	274	L	H	HB2	LEU	V	33
R	H	CG1	VAL	A	278	L	H	HB3	MET	V	29
R	H	CD2	LEU	A	281	L	H	SD	MET	V	29
R	H	CD2	LEU	A	281	L	H	HE1	MET	V	29
R	H	CD1	LEU	A	282	L	H	HB3	MET	V	29
R	H	CD2	LEU	A	282	L	H	CD2	PHE	V	26
R	H	CD2	LEU	A	282	L	H	CE2	PHE	V	26
R	H	CD2	LEU	A	282	L	H	HD2	PHE	V	26
R	H	CD2	LEU	A	282	L	H	HE2	PHE	V	26
R	H	CD2	LEU	A	282	L	H	CE	MET	V	29
R	H	CD2	LEU	A	282	L	H	HE1	MET	V	29
R	H	CD2	LEU	A	282	L	H	HE3	MET	V	29
R	H	CB	PHE	A	285	L	H	HE2	PHE	V	26
R	H	CG1	ILE	A	286	L	H	HE2	PHE	V	26
R	-	NH2	ARG	A	290	L	H	HE1	PHE	V	26

- 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