IID

P47888_Q8NGN5.1 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	S	ILE	A	101	L	-	HIS	V	164
R	H	ALA	A	105	L	-	HIS	V	164
R	H	SER	A	108	L	-	HIS	V	164
R	H	GLN	A	109	L	-	HIS	V	164
R	H	PHE	A	111	L	-	LEU	V	6
R	H	PHE	A	112	L	-	LEU	V	6
R	H	PHE	A	112	L	H	PHE	V	93
R	H	PHE	A	112	L	H	HIS	V	94
R	H	LEU	A	115	L	-	THR	V	8
R	H	LEU	A	116	L	H	HIS	V	94
R	H	TRP	A	158	L	-	THR	V	8
R	H	PHE	A	162	L	-	SER	V	5
R	H	PHE	A	162	L	-	LEU	V	6
R	H	PHE	A	37	L	H	LEU	V	149
R	H	PHE	A	37	L	H	SER	V	152
R	H	TYR	A	44	L	H	TYR	V	101
R	H	TYR	A	44	L	H	PHE	V	102
R	H	TYR	A	44	L	H	ALA	V	98
R	H	LEU	A	45	L	H	PHE	V	102
R	H	THR	A	48	L	H	PHE	V	102
R	H	LEU	A	52	L	H	SER	V	95
R	H	LEU	A	59	L	H	MET	V	81
R	H	LEU	A	59	L	-	PHE	V	85
R	H	VAL	A	60	L	H	MET	V	81
R	H	VAL	A	77	L	S	SER	V	92
R	H	VAL	A	77	L	H	HIS	V	94
R	H	VAL	A	80	L	H	HIS	V	94
R	H	VAL	A	80	L	H	SER	V	95
R	H	GLY	A	81	L	H	HIS	V	94
R	H	THR	A	84	L	H	PHE	V	163
R	H	THR	A	84	L	H	HIS	V	94
R	H	THR	A	84	L	H	MET	V	97
R	H	THR	A	84	L	H	ALA	V	98
R	H	VAL	A	85	L	H	PHE	V	163
R	H	VAL	A	85	L	H	HIS	V	94
R	H	PRO	A	88	L	H	ILE	V	160
R	H	ALA	A	89	L	H	ILE	V	160
R	H	ALA	A	89	L	-	HIS	V	164
R	H	GLY	A	92	L	H	ALA	V	156
R	H	GLY	A	92	L	H	ILE	V	160
R	H	LEU	A	95	L	H	LEU	V	149
R	H	LEU	A	95	L	H	LEU	V	153

- 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

P47888_Q8NGN5.1 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	37	L	H	HD21	LEU	V	149
R	H	CZ	PHE	A	37	L	H	HG	SER	V	152
R	H	CD1	TYR	A	44	L	H	CZ	PHE	V	102
R	H	CD1	TYR	A	44	L	H	HE2	PHE	V	102
R	H	CD1	TYR	A	44	L	H	HZ	PHE	V	102
R	H	CE1	TYR	A	44	L	H	HD1	TYR	V	101
R	H	CE1	TYR	A	44	L	H	CE2	PHE	V	102
R	H	CE1	TYR	A	44	L	H	CZ	PHE	V	102
R	H	CE1	TYR	A	44	L	H	HE2	PHE	V	102
R	H	CE1	TYR	A	44	L	H	HZ	PHE	V	102
R	H	OH	TYR	A	44	L	H	CA	ALA	V	98
R	H	OH	TYR	A	44	L	H	CB	ALA	V	98
R	H	OH	TYR	A	44	L	H	HA	ALA	V	98
R	H	OH	TYR	A	44	L	H	HB1	ALA	V	98
R	H	OH	TYR	A	44	L	H	HB3	ALA	V	98
R	H	OH	TYR	A	44	L	H	HE2	PHE	V	102
R	H	CZ	TYR	A	44	L	H	HE2	PHE	V	102
R	H	CA	LEU	A	45	L	H	HZ	PHE	V	102
R	H	CB	LEU	A	45	L	H	HZ	PHE	V	102
R	H	CG	LEU	A	45	L	H	HE1	PHE	V	102
R	H	CG	LEU	A	45	L	H	HZ	PHE	V	102
R	H	CD2	LEU	A	45	L	H	CE1	PHE	V	102
R	H	CD2	LEU	A	45	L	H	CZ	PHE	V	102
R	H	CD2	LEU	A	45	L	H	HE1	PHE	V	102
R	H	CD2	LEU	A	45	L	H	HZ	PHE	V	102
R	H	CB	THR	A	48	L	H	HE2	PHE	V	102
R	H	CG2	THR	A	48	L	H	HE2	PHE	V	102
R	H	OG1	THR	A	48	L	H	HE2	PHE	V	102
R	H	OG1	THR	A	48	L	H	HZ	PHE	V	102
R	H	CD2	LEU	A	52	L	H	HB3	SER	V	95
R	H	CD2	LEU	A	52	L	H	HG	SER	V	95
R	H	CA	LEU	A	59	L	H	HE1	MET	V	81
R	H	C	LEU	A	59	L	H	HE1	MET	V	81
R	H	CB	LEU	A	59	L	H	CE	MET	V	81
R	H	CB	LEU	A	59	L	H	HE1	MET	V	81
R	H	CB	LEU	A	59	L	H	HE2	MET	V	81
R	H	O	LEU	A	59	L	H	HE1	MET	V	81
R	H	O	LEU	A	59	L	-	CE2	PHE	V	85
R	H	O	LEU	A	59	L	-	HE2	PHE	V	85
R	H	CG	LEU	A	59	L	H	HE2	MET	V	81
R	H	CD1	LEU	A	59	L	H	HE2	MET	V	81
R	H	CG2	VAL	A	60	L	H	SD	MET	V	81
R	H	CG2	VAL	A	60	L	H	HE1	MET	V	81
R	H	CB	VAL	A	77	L	S	HB3	SER	V	92
R	H	O	VAL	A	77	L	H	HB2	HIS	V	94
R	H	CG1	VAL	A	77	L	S	CB	SER	V	92
R	H	CG1	VAL	A	77	L	S	OG	SER	V	92
R	H	CG1	VAL	A	77	L	S	HB2	SER	V	92
R	H	CG1	VAL	A	77	L	S	HB3	SER	V	92
R	H	CG1	VAL	A	77	L	S	HG	SER	V	92
R	H	CG2	VAL	A	77	L	S	HB3	SER	V	92
R	H	C	VAL	A	80	L	H	CB	HIS	V	94
R	H	C	VAL	A	80	L	H	HB2	HIS	V	94
R	H	C	VAL	A	80	L	H	HB3	HIS	V	94
R	H	O	VAL	A	80	L	H	HB3	HIS	V	94
R	H	CG1	VAL	A	80	L	H	HB3	HIS	V	94
R	H	CG1	VAL	A	80	L	H	HA	SER	V	95
R	H	N	GLY	A	81	L	H	CB	HIS	V	94
R	H	N	GLY	A	81	L	H	CG	HIS	V	94
R	H	N	GLY	A	81	L	H	HB2	HIS	V	94
R	H	N	GLY	A	81	L	H	HB3	HIS	V	94
R	H	CA	GLY	A	81	L	H	CB	HIS	V	94
R	H	CA	GLY	A	81	L	H	CG	HIS	V	94
R	H	CA	GLY	A	81	L	H	CD2	HIS	V	94
R	H	CA	GLY	A	81	L	H	ND1	HIS	V	94
R	H	CA	GLY	A	81	L	H	CE1	HIS	V	94
R	H	CA	GLY	A	81	L	H	NE2	HIS	V	94
R	H	CA	GLY	A	81	L	H	HB2	HIS	V	94
R	H	CA	GLY	A	81	L	H	HB3	HIS	V	94
R	H	CA	GLY	A	81	L	H	HD2	HIS	V	94
R	H	C	GLY	A	81	L	H	CG	HIS	V	94
R	H	C	GLY	A	81	L	H	CD2	HIS	V	94
R	H	C	GLY	A	81	L	H	NE2	HIS	V	94
R	H	C	GLY	A	81	L	H	HB3	HIS	V	94
R	H	C	GLY	A	81	L	H	HD2	HIS	V	94
R	H	C	GLY	A	81	L	H	HE2	HIS	V	94
R	H	O	GLY	A	81	L	H	CG	HIS	V	94
R	H	O	GLY	A	81	L	H	CD2	HIS	V	94
R	H	O	GLY	A	81	L	H	NE2	HIS	V	94
R	H	O	GLY	A	81	L	H	HB3	HIS	V	94
R	H	O	GLY	A	81	L	H	HD2	HIS	V	94
R	H	O	GLY	A	81	L	H	HE2	HIS	V	94
R	H	CA	THR	A	84	L	H	HD2	HIS	V	94
R	H	C	THR	A	84	L	H	HD2	HIS	V	94
R	H	C	THR	A	84	L	H	HE2	PHE	V	163
R	H	C	THR	A	84	L	H	HZ	PHE	V	163
R	H	CB	THR	A	84	L	H	CD2	HIS	V	94
R	H	CB	THR	A	84	L	H	HB3	HIS	V	94
R	H	CB	THR	A	84	L	H	HD2	HIS	V	94
R	H	CB	THR	A	84	L	H	HE2	PHE	V	163
R	H	O	THR	A	84	L	H	CE2	PHE	V	163
R	H	O	THR	A	84	L	H	CZ	PHE	V	163
R	H	O	THR	A	84	L	H	HE2	PHE	V	163
R	H	O	THR	A	84	L	H	HZ	PHE	V	163
R	H	CG2	THR	A	84	L	H	O	HIS	V	94
R	H	CG2	THR	A	84	L	H	HA	HIS	V	94
R	H	CG2	THR	A	84	L	H	HB3	HIS	V	94
R	H	CG2	THR	A	84	L	H	HD2	HIS	V	94
R	H	CG2	THR	A	84	L	H	HB2	MET	V	97
R	H	CG2	THR	A	84	L	H	HB3	MET	V	97
R	H	CG2	THR	A	84	L	H	CE2	PHE	V	163
R	H	CG2	THR	A	84	L	H	HD2	PHE	V	163
R	H	CG2	THR	A	84	L	H	HE2	PHE	V	163
R	H	OG1	THR	A	84	L	H	HB3	HIS	V	94
R	H	OG1	THR	A	84	L	H	HD2	HIS	V	94
R	H	OG1	THR	A	84	L	H	HB3	ALA	V	98
R	H	N	VAL	A	85	L	H	HD2	HIS	V	94
R	H	N	VAL	A	85	L	H	CZ	PHE	V	163
R	H	N	VAL	A	85	L	H	HZ	PHE	V	163
R	H	CA	VAL	A	85	L	H	CE1	PHE	V	163
R	H	CA	VAL	A	85	L	H	CZ	PHE	V	163
R	H	CA	VAL	A	85	L	H	HE1	PHE	V	163
R	H	CA	VAL	A	85	L	H	HZ	PHE	V	163
R	H	C	VAL	A	85	L	H	HZ	PHE	V	163
R	H	CB	VAL	A	85	L	H	HE2	HIS	V	94
R	H	CB	VAL	A	85	L	H	CZ	PHE	V	163
R	H	CB	VAL	A	85	L	H	HZ	PHE	V	163
R	H	O	VAL	A	85	L	H	CE1	PHE	V	163
R	H	O	VAL	A	85	L	H	HE1	PHE	V	163
R	H	CG1	VAL	A	85	L	H	HZ	PHE	V	163
R	H	CG2	VAL	A	85	L	H	CD2	HIS	V	94
R	H	CG2	VAL	A	85	L	H	NE2	HIS	V	94
R	H	CG2	VAL	A	85	L	H	HD2	HIS	V	94
R	H	CG2	VAL	A	85	L	H	HE2	HIS	V	94
R	H	CG2	VAL	A	85	L	H	CZ	PHE	V	163
R	H	CG2	VAL	A	85	L	H	HZ	PHE	V	163
R	H	C	PRO	A	88	L	H	HG12	ILE	V	160
R	H	C	PRO	A	88	L	H	HD11	ILE	V	160
R	H	O	PRO	A	88	L	H	CD1	ILE	V	160
R	H	O	PRO	A	88	L	H	HG12	ILE	V	160
R	H	O	PRO	A	88	L	H	HG13	ILE	V	160
R	H	O	PRO	A	88	L	H	HD11	ILE	V	160
R	H	N	ALA	A	89	L	H	HG12	ILE	V	160
R	H	N	ALA	A	89	L	H	HD11	ILE	V	160
R	H	CA	ALA	A	89	L	H	CG1	ILE	V	160
R	H	CA	ALA	A	89	L	H	CD1	ILE	V	160
R	H	CA	ALA	A	89	L	H	HG12	ILE	V	160
R	H	CA	ALA	A	89	L	H	HD11	ILE	V	160
R	H	CA	ALA	A	89	L	H	HD13	ILE	V	160
R	H	C	ALA	A	89	L	H	HD11	ILE	V	160
R	H	CB	ALA	A	89	L	H	HG12	ILE	V	160
R	H	CB	ALA	A	89	L	-	HE2	HIS	V	164
R	H	O	ALA	A	89	L	H	HD11	ILE	V	160
R	H	O	ALA	A	89	L	H	HD13	ILE	V	160
R	H	N	GLY	A	92	L	H	HB1	ALA	V	156
R	H	N	GLY	A	92	L	H	HD11	ILE	V	160
R	H	CA	GLY	A	92	L	H	HB1	ALA	V	156
R	H	CA	GLY	A	92	L	H	CD1	ILE	V	160
R	H	CA	GLY	A	92	L	H	HD11	ILE	V	160
R	H	CA	GLY	A	92	L	H	HD12	ILE	V	160
R	H	CA	GLY	A	92	L	H	HD13	ILE	V	160
R	H	CA	LEU	A	95	L	H	HD12	LEU	V	153
R	H	C	LEU	A	95	L	H	HD12	LEU	V	153
R	H	CB	LEU	A	95	L	H	CD1	LEU	V	153
R	H	CB	LEU	A	95	L	H	HD11	LEU	V	153
R	H	CB	LEU	A	95	L	H	HD12	LEU	V	153
R	H	CB	LEU	A	95	L	H	HD13	LEU	V	153
R	H	O	LEU	A	95	L	H	HD12	LEU	V	153
R	H	CG	LEU	A	95	L	H	HB2	LEU	V	153
R	H	CG	LEU	A	95	L	H	HD12	LEU	V	153
R	H	CD1	LEU	A	95	L	H	CA	LEU	V	153
R	H	CD1	LEU	A	95	L	H	CD1	LEU	V	153
R	H	CD1	LEU	A	95	L	H	HA	LEU	V	153
R	H	CD1	LEU	A	95	L	H	HB2	LEU	V	153
R	H	CD1	LEU	A	95	L	H	HD11	LEU	V	153
R	H	CD1	LEU	A	95	L	H	HD12	LEU	V	153
R	H	CD2	LEU	A	95	L	H	HD22	LEU	V	149
R	H	CD2	LEU	A	95	L	H	HB2	LEU	V	153
R	H	CD2	LEU	A	95	L	H	HD12	LEU	V	153
R	S	CD1	ILE	A	101	L	-	HE1	HIS	V	164
R	H	CA	ALA	A	105	L	-	CG	HIS	V	164
R	H	CA	ALA	A	105	L	-	ND1	HIS	V	164
R	H	CA	ALA	A	105	L	-	CE1	HIS	V	164
R	H	CA	ALA	A	105	L	-	HB3	HIS	V	164
R	H	CA	ALA	A	105	L	-	HE1	HIS	V	164
R	H	C	ALA	A	105	L	-	ND1	HIS	V	164
R	H	C	ALA	A	105	L	-	CE1	HIS	V	164
R	H	C	ALA	A	105	L	-	HE1	HIS	V	164
R	H	CB	ALA	A	105	L	-	CG	HIS	V	164
R	H	CB	ALA	A	105	L	-	CD2	HIS	V	164
R	H	CB	ALA	A	105	L	-	ND1	HIS	V	164
R	H	CB	ALA	A	105	L	-	CE1	HIS	V	164
R	H	CB	ALA	A	105	L	-	NE2	HIS	V	164
R	H	CB	ALA	A	105	L	-	HB3	HIS	V	164
R	H	CB	ALA	A	105	L	-	HE1	HIS	V	164
R	H	O	ALA	A	105	L	-	ND1	HIS	V	164
R	H	O	ALA	A	105	L	-	CE1	HIS	V	164
R	H	O	ALA	A	105	L	-	HE1	HIS	V	164
R	H	CB	SER	A	108	L	-	HA	HIS	V	164
R	H	OG	SER	A	108	L	-	O	HIS	V	164
R	H	CB	GLN	A	109	L	-	HE1	HIS	V	164
R	H	CG	PHE	A	111	L	-	HD11	LEU	V	6
R	H	CD1	PHE	A	111	L	-	CD1	LEU	V	6
R	H	CD1	PHE	A	111	L	-	HD11	LEU	V	6
R	H	CD1	PHE	A	111	L	-	HD12	LEU	V	6
R	H	CE1	PHE	A	111	L	-	CD1	LEU	V	6
R	H	CE1	PHE	A	111	L	-	HB3	LEU	V	6
R	H	CE1	PHE	A	111	L	-	HD11	LEU	V	6
R	H	CE1	PHE	A	111	L	-	HD12	LEU	V	6
R	H	CE2	PHE	A	111	L	-	HD11	LEU	V	6
R	H	CZ	PHE	A	111	L	-	HB3	LEU	V	6
R	H	CZ	PHE	A	111	L	-	HD11	LEU	V	6
R	H	CB	PHE	A	112	L	H	HE2	HIS	V	94
R	H	CD1	PHE	A	112	L	H	HE1	HIS	V	94
R	H	CE2	PHE	A	112	L	-	HD12	LEU	V	6
R	H	CE2	PHE	A	112	L	H	HE1	PHE	V	93
R	H	CZ	PHE	A	112	L	-	HB2	LEU	V	6
R	H	CZ	PHE	A	112	L	-	HD12	LEU	V	6
R	H	CD2	LEU	A	115	L	-	HG22	THR	V	8
R	H	CG	LEU	A	116	L	H	CE1	HIS	V	94
R	H	CG	LEU	A	116	L	H	HE1	HIS	V	94
R	H	CD1	LEU	A	116	L	H	CD2	HIS	V	94
R	H	CD1	LEU	A	116	L	H	ND1	HIS	V	94
R	H	CD1	LEU	A	116	L	H	CE1	HIS	V	94
R	H	CD1	LEU	A	116	L	H	NE2	HIS	V	94
R	H	CD1	LEU	A	116	L	H	HE1	HIS	V	94
R	H	CD1	LEU	A	116	L	H	HE2	HIS	V	94
R	H	CD2	LEU	A	116	L	H	ND1	HIS	V	94
R	H	CD2	LEU	A	116	L	H	CE1	HIS	V	94
R	H	CD2	LEU	A	116	L	H	HE1	HIS	V	94
R	H	CE3	TRP	A	158	L	-	HG21	THR	V	8
R	H	CH2	TRP	A	158	L	-	HB	THR	V	8
R	H	CZ3	TRP	A	158	L	-	HG21	THR	V	8
R	H	CE1	PHE	A	162	L	-	HA	SER	V	5
R	H	CE1	PHE	A	162	L	-	HB3	SER	V	5
R	H	CE2	PHE	A	162	L	-	CA	SER	V	5
R	H	CE2	PHE	A	162	L	-	HA	SER	V	5
R	H	CE2	PHE	A	162	L	-	HB2	SER	V	5
R	H	CE2	PHE	A	162	L	-	HB3	SER	V	5
R	H	CE2	PHE	A	162	L	-	H	LEU	V	6
R	H	CZ	PHE	A	162	L	-	CA	SER	V	5
R	H	CZ	PHE	A	162	L	-	CB	SER	V	5
R	H	CZ	PHE	A	162	L	-	HA	SER	V	5
R	H	CZ	PHE	A	162	L	-	HB2	SER	V	5
R	H	CZ	PHE	A	162	L	-	HB3	SER	V	5
R	H	CZ	PHE	A	162	L	-	H	LEU	V	6

- 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