IID

A6NMS3_Q9H339.4 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	-	CYS	V	167
R	H	PHE	A	103	L	-	HIS	V	168
R	H	PHE	A	103	L	-	SER	V	169
R	H	PHE	A	103	L	-	HIS	V	170
R	H	PHE	A	149	L	-	HIS	V	168
R	H	PHE	A	28	L	-	GLY	V	17
R	H	PHE	A	28	L	H	GLU	V	19
R	H	LEU	A	298	L	H	GLN	V	265
R	H	ILE	A	301	L	H	PHE	V	262
R	H	ILE	A	301	L	H	LYS	V	264
R	H	MET	A	302	L	H	GLN	V	265
R	H	ASN	A	304	L	H	PHE	V	262
R	H	TYR	A	305	L	H	LEU	V	258
R	H	TYR	A	305	L	H	ILE	V	259
R	H	TYR	A	305	L	H	PHE	V	262
R	H	LEU	A	308	L	H	LEU	V	258
R	H	LEU	A	308	L	H	PHE	V	262
R	H	CYS	A	312	L	H	ILE	V	254
R	H	CYS	A	312	L	H	LEU	V	258
R	H	ALA	A	315	L	H	TYR	V	209
R	H	ASN	A	316	L	H	VAL	V	251
R	H	PHE	A	318	L	H	PHE	V	213
R	-	LEU	A	319	L	H	TYR	V	209
R	-	LEU	A	319	L	H	PHE	V	213
R	-	LEU	A	319	L	H	ILE	V	243
R	-	LEU	A	319	L	H	LEU	V	247
R	H	SER	A	32	L	-	GLY	V	17
R	-	TYR	A	321	L	H	LEU	V	220
R	H	LEU	A	36	L	-	PRO	V	16
R	H	LEU	A	36	L	H	HIS	V	268
R	H	VAL	A	40	L	H	LYS	V	264
R	H	VAL	A	40	L	H	HIS	V	268
R	H	GLY	A	44	L	H	LYS	V	264
R	H	ALA	A	47	L	H	LYS	V	264
R	H	LEU	A	48	L	H	LYS	V	264
R	H	TYR	A	50	L	H	ARG	V	194
R	H	VAL	A	51	L	H	LYS	V	264
R	H	LEU	A	68	L	-	HIS	V	168
R	H	MET	A	69	L	-	HIS	V	168
R	H	CYS	A	72	L	-	HIS	V	168
R	H	CYS	A	75	L	-	SER	V	169
R	H	CYS	A	75	L	-	VAL	V	171
R	H	PRO	A	79	L	-	VAL	V	171
R	-	PHE	A	86	L	H	GLU	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_Q9H339.4 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	PHE	A	28	L	H	OE2	GLU	V	19
R	H	CE1	PHE	A	28	L	-	HA2	GLY	V	17
R	H	CE1	PHE	A	28	L	H	HB2	GLU	V	19
R	H	CE2	PHE	A	28	L	H	CD	GLU	V	19
R	H	CE2	PHE	A	28	L	H	OE2	GLU	V	19
R	H	CE2	PHE	A	28	L	H	HB2	GLU	V	19
R	H	CZ	PHE	A	28	L	-	H	GLY	V	17
R	H	CZ	PHE	A	28	L	-	HA2	GLY	V	17
R	H	CZ	PHE	A	28	L	H	CD	GLU	V	19
R	H	CZ	PHE	A	28	L	H	OE2	GLU	V	19
R	H	CZ	PHE	A	28	L	H	H	GLU	V	19
R	H	CZ	PHE	A	28	L	H	HB2	GLU	V	19
R	H	CZ	PHE	A	28	L	H	HG3	GLU	V	19
R	H	CB	SER	A	32	L	-	HA2	GLY	V	17
R	H	CB	SER	A	32	L	-	HA3	GLY	V	17
R	H	OG	SER	A	32	L	-	HA2	GLY	V	17
R	H	CD2	LEU	A	36	L	-	HB2	PRO	V	16
R	H	CD2	LEU	A	36	L	-	HG2	PRO	V	16
R	H	CD2	LEU	A	36	L	-	HG3	PRO	V	16
R	H	CD2	LEU	A	36	L	H	HB2	HIS	V	268
R	H	CD2	LEU	A	36	L	H	HD2	HIS	V	268
R	H	CG1	VAL	A	40	L	H	O	LYS	V	264
R	H	CG2	VAL	A	40	L	H	H	HIS	V	268
R	H	CG2	VAL	A	40	L	H	HB3	HIS	V	268
R	H	CA	GLY	A	44	L	H	HD3	LYS	V	264
R	H	C	GLY	A	44	L	H	HD3	LYS	V	264
R	H	O	GLY	A	44	L	H	NZ	LYS	V	264
R	H	O	GLY	A	44	L	H	HD3	LYS	V	264
R	H	O	GLY	A	44	L	H	HZ3	LYS	V	264
R	H	CA	ALA	A	47	L	H	HZ1	LYS	V	264
R	H	CA	ALA	A	47	L	H	HZ3	LYS	V	264
R	H	C	ALA	A	47	L	H	NZ	LYS	V	264
R	H	C	ALA	A	47	L	H	HZ1	LYS	V	264
R	H	C	ALA	A	47	L	H	HZ3	LYS	V	264
R	H	CB	ALA	A	47	L	H	CE	LYS	V	264
R	H	CB	ALA	A	47	L	H	NZ	LYS	V	264
R	H	CB	ALA	A	47	L	H	HE2	LYS	V	264
R	H	CB	ALA	A	47	L	H	HZ1	LYS	V	264
R	H	CB	ALA	A	47	L	H	HZ3	LYS	V	264
R	H	O	ALA	A	47	L	H	NZ	LYS	V	264
R	H	O	ALA	A	47	L	H	HZ1	LYS	V	264
R	H	O	ALA	A	47	L	H	HZ3	LYS	V	264
R	H	N	LEU	A	48	L	H	NZ	LYS	V	264
R	H	N	LEU	A	48	L	H	HZ1	LYS	V	264
R	H	N	LEU	A	48	L	H	HZ2	LYS	V	264
R	H	N	LEU	A	48	L	H	HZ3	LYS	V	264
R	H	CA	LEU	A	48	L	H	NZ	LYS	V	264
R	H	CA	LEU	A	48	L	H	HZ1	LYS	V	264
R	H	CA	LEU	A	48	L	H	HZ2	LYS	V	264
R	H	CA	LEU	A	48	L	H	HZ3	LYS	V	264
R	H	CB	LEU	A	48	L	H	NZ	LYS	V	264
R	H	CB	LEU	A	48	L	H	HZ1	LYS	V	264
R	H	CB	LEU	A	48	L	H	HZ2	LYS	V	264
R	H	CB	LEU	A	48	L	H	HZ3	LYS	V	264
R	H	CG	LEU	A	48	L	H	HZ2	LYS	V	264
R	H	CG	LEU	A	48	L	H	HZ3	LYS	V	264
R	H	CD1	LEU	A	48	L	H	NZ	LYS	V	264
R	H	CD1	LEU	A	48	L	H	HZ2	LYS	V	264
R	H	CD1	LEU	A	48	L	H	HZ3	LYS	V	264
R	H	CB	TYR	A	50	L	H	HH12	ARG	V	194
R	H	CG	TYR	A	50	L	H	HH12	ARG	V	194
R	H	CB	VAL	A	51	L	H	HZ1	LYS	V	264
R	H	CG2	VAL	A	51	L	H	HZ1	LYS	V	264
R	H	CB	LEU	A	68	L	-	HE1	HIS	V	168
R	H	CG	LEU	A	68	L	-	ND1	HIS	V	168
R	H	CG	LEU	A	68	L	-	CE1	HIS	V	168
R	H	CG	LEU	A	68	L	-	NE2	HIS	V	168
R	H	CG	LEU	A	68	L	-	HE1	HIS	V	168
R	H	CD1	LEU	A	68	L	-	CG	HIS	V	168
R	H	CD1	LEU	A	68	L	-	CD2	HIS	V	168
R	H	CD1	LEU	A	68	L	-	ND1	HIS	V	168
R	H	CD1	LEU	A	68	L	-	CE1	HIS	V	168
R	H	CD1	LEU	A	68	L	-	NE2	HIS	V	168
R	H	CD1	LEU	A	68	L	-	HE1	HIS	V	168
R	H	CD2	LEU	A	68	L	-	ND1	HIS	V	168
R	H	CD2	LEU	A	68	L	-	CE1	HIS	V	168
R	H	CD2	LEU	A	68	L	-	NE2	HIS	V	168
R	H	CD2	LEU	A	68	L	-	HE1	HIS	V	168
R	H	CD2	LEU	A	68	L	-	HE2	HIS	V	168
R	H	CE	MET	A	69	L	-	ND1	HIS	V	168
R	H	CE	MET	A	69	L	-	CE1	HIS	V	168
R	H	CE	MET	A	69	L	-	HE1	HIS	V	168
R	H	CB	CYS	A	72	L	-	O	HIS	V	168
R	H	SG	CYS	A	72	L	-	CA	HIS	V	168
R	H	SG	CYS	A	72	L	-	C	HIS	V	168
R	H	SG	CYS	A	72	L	-	O	HIS	V	168
R	H	SG	CYS	A	72	L	-	HA	HIS	V	168
R	H	CB	CYS	A	75	L	-	CB	SER	V	169
R	H	CB	CYS	A	75	L	-	OG	SER	V	169
R	H	CB	CYS	A	75	L	-	HB2	SER	V	169
R	H	CB	CYS	A	75	L	-	HG	SER	V	169
R	H	O	CYS	A	75	L	-	HG22	VAL	V	171
R	H	SG	CYS	A	75	L	-	HB2	SER	V	169
R	H	SG	CYS	A	75	L	-	HG	SER	V	169
R	H	SG	CYS	A	75	L	-	HB	VAL	V	171
R	H	CG	PRO	A	79	L	-	HG22	VAL	V	171
R	-	CB	PHE	A	86	L	H	OE1	GLU	V	20
R	-	CG	PHE	A	86	L	H	CD	GLU	V	20
R	-	CG	PHE	A	86	L	H	OE1	GLU	V	20
R	-	CD1	PHE	A	86	L	H	CD	GLU	V	20
R	-	CD1	PHE	A	86	L	H	OE1	GLU	V	20
R	-	CD2	PHE	A	86	L	H	CD	GLU	V	20
R	-	CD2	PHE	A	86	L	H	OE1	GLU	V	20
R	-	CE1	PHE	A	86	L	H	CD	GLU	V	20
R	-	CE1	PHE	A	86	L	H	OE1	GLU	V	20
R	-	CE2	PHE	A	86	L	H	CD	GLU	V	20
R	-	CE2	PHE	A	86	L	H	OE1	GLU	V	20
R	-	CE2	PHE	A	86	L	H	HG2	GLU	V	20
R	-	CZ	PHE	A	86	L	H	CG	GLU	V	20
R	-	CZ	PHE	A	86	L	H	CD	GLU	V	20
R	-	CZ	PHE	A	86	L	H	OE1	GLU	V	20
R	-	CZ	PHE	A	86	L	H	HG2	GLU	V	20
R	-	CZ	PHE	A	86	L	H	HG3	GLU	V	20
R	H	CG	PHE	A	103	L	-	O	HIS	V	168
R	H	CD1	PHE	A	103	L	-	O	CYS	V	167
R	H	CD1	PHE	A	103	L	-	O	HIS	V	168
R	H	CE1	PHE	A	103	L	-	C	CYS	V	167
R	H	CE1	PHE	A	103	L	-	O	CYS	V	167
R	H	CE1	PHE	A	103	L	-	C	HIS	V	168
R	H	CE1	PHE	A	103	L	-	O	HIS	V	168
R	H	CE1	PHE	A	103	L	-	HA	SER	V	169
R	H	CE2	PHE	A	103	L	-	HD2	HIS	V	170
R	H	CZ	PHE	A	103	L	-	O	CYS	V	167
R	H	CZ	PHE	A	103	L	-	O	HIS	V	168
R	H	CZ	PHE	A	103	L	-	HA	SER	V	169
R	H	CZ	PHE	A	103	L	-	CD2	HIS	V	170
R	H	CZ	PHE	A	103	L	-	HD2	HIS	V	170
R	H	CZ	PHE	A	103	L	-	HE2	HIS	V	170
R	H	CE1	PHE	A	149	L	-	HE1	HIS	V	168
R	H	CZ	PHE	A	149	L	-	HE1	HIS	V	168
R	H	CB	LEU	A	298	L	H	HE21	GLN	V	265
R	H	CG	LEU	A	298	L	H	HE21	GLN	V	265
R	H	CD1	LEU	A	298	L	H	HE21	GLN	V	265
R	H	CD2	LEU	A	298	L	H	HE21	GLN	V	265
R	H	C	ILE	A	301	L	H	HD1	PHE	V	262
R	H	O	ILE	A	301	L	H	CD1	PHE	V	262
R	H	O	ILE	A	301	L	H	HD1	PHE	V	262
R	H	CG2	ILE	A	301	L	H	HA	PHE	V	262
R	H	CG2	ILE	A	301	L	H	HD1	PHE	V	262
R	H	CD1	ILE	A	301	L	H	HZ2	LYS	V	264
R	H	CG	MET	A	302	L	H	CD	GLN	V	265
R	H	CG	MET	A	302	L	H	NE2	GLN	V	265
R	H	CG	MET	A	302	L	H	OE1	GLN	V	265
R	H	CG	MET	A	302	L	H	HE22	GLN	V	265
R	H	SD	MET	A	302	L	H	CD	GLN	V	265
R	H	SD	MET	A	302	L	H	NE2	GLN	V	265
R	H	SD	MET	A	302	L	H	OE1	GLN	V	265
R	H	SD	MET	A	302	L	H	HE21	GLN	V	265
R	H	SD	MET	A	302	L	H	HE22	GLN	V	265
R	H	CE	MET	A	302	L	H	CD	GLN	V	265
R	H	CE	MET	A	302	L	H	OE1	GLN	V	265
R	H	CE	MET	A	302	L	H	HE22	GLN	V	265
R	H	CB	ASN	A	304	L	H	HE1	PHE	V	262
R	H	N	TYR	A	305	L	H	CD1	PHE	V	262
R	H	N	TYR	A	305	L	H	HD1	PHE	V	262
R	H	CA	TYR	A	305	L	H	CB	PHE	V	262
R	H	CA	TYR	A	305	L	H	CG	PHE	V	262
R	H	CA	TYR	A	305	L	H	CD1	PHE	V	262
R	H	CA	TYR	A	305	L	H	HB3	PHE	V	262
R	H	CA	TYR	A	305	L	H	HD1	PHE	V	262
R	H	CB	TYR	A	305	L	H	CB	PHE	V	262
R	H	CB	TYR	A	305	L	H	CG	PHE	V	262
R	H	CB	TYR	A	305	L	H	CD1	PHE	V	262
R	H	CB	TYR	A	305	L	H	HB2	PHE	V	262
R	H	CB	TYR	A	305	L	H	HB3	PHE	V	262
R	H	CB	TYR	A	305	L	H	HD1	PHE	V	262
R	H	CG	TYR	A	305	L	H	CB	PHE	V	262
R	H	CG	TYR	A	305	L	H	CG	PHE	V	262
R	H	CG	TYR	A	305	L	H	HB2	PHE	V	262
R	H	CG	TYR	A	305	L	H	HB3	PHE	V	262
R	H	CD1	TYR	A	305	L	H	HB2	PHE	V	262
R	H	CD1	TYR	A	305	L	H	HB3	PHE	V	262
R	H	CD2	TYR	A	305	L	H	O	LEU	V	258
R	H	CD2	TYR	A	305	L	H	HB3	LEU	V	258
R	H	CD2	TYR	A	305	L	H	CA	PHE	V	262
R	H	CD2	TYR	A	305	L	H	C	PHE	V	262
R	H	CD2	TYR	A	305	L	H	CB	PHE	V	262
R	H	CD2	TYR	A	305	L	H	CG	PHE	V	262
R	H	CD2	TYR	A	305	L	H	CD2	PHE	V	262
R	H	CD2	TYR	A	305	L	H	H	PHE	V	262
R	H	CD2	TYR	A	305	L	H	HB2	PHE	V	262
R	H	CD2	TYR	A	305	L	H	HB3	PHE	V	262
R	H	CD2	TYR	A	305	L	H	HD2	PHE	V	262
R	H	CE2	TYR	A	305	L	H	C	LEU	V	258
R	H	CE2	TYR	A	305	L	H	CB	LEU	V	258
R	H	CE2	TYR	A	305	L	H	O	LEU	V	258
R	H	CE2	TYR	A	305	L	H	HB3	LEU	V	258
R	H	CE2	TYR	A	305	L	H	HA	ILE	V	259
R	H	CE2	TYR	A	305	L	H	CB	PHE	V	262
R	H	CE2	TYR	A	305	L	H	CG	PHE	V	262
R	H	CE2	TYR	A	305	L	H	CD2	PHE	V	262
R	H	CE2	TYR	A	305	L	H	HB2	PHE	V	262
R	H	CE2	TYR	A	305	L	H	HB3	PHE	V	262
R	H	CE2	TYR	A	305	L	H	HD2	PHE	V	262
R	H	OH	TYR	A	305	L	H	HB3	LEU	V	258
R	H	OH	TYR	A	305	L	H	CG1	ILE	V	259
R	H	OH	TYR	A	305	L	H	HA	ILE	V	259
R	H	OH	TYR	A	305	L	H	HG12	ILE	V	259
R	H	OH	TYR	A	305	L	H	HG13	ILE	V	259
R	H	CZ	TYR	A	305	L	H	HB3	LEU	V	258
R	H	CZ	TYR	A	305	L	H	HB2	PHE	V	262
R	H	CB	LEU	A	308	L	H	HD22	LEU	V	258
R	H	CB	LEU	A	308	L	H	HD23	LEU	V	258
R	H	CG	LEU	A	308	L	H	HD23	LEU	V	258
R	H	CG	LEU	A	308	L	H	HE2	PHE	V	262
R	H	CG	LEU	A	308	L	H	HZ	PHE	V	262
R	H	CD1	LEU	A	308	L	H	CE1	PHE	V	262
R	H	CD1	LEU	A	308	L	H	CE2	PHE	V	262
R	H	CD1	LEU	A	308	L	H	CZ	PHE	V	262
R	H	CD1	LEU	A	308	L	H	HE2	PHE	V	262
R	H	CD1	LEU	A	308	L	H	HZ	PHE	V	262
R	H	CD2	LEU	A	308	L	H	CD2	LEU	V	258
R	H	CD2	LEU	A	308	L	H	HD21	LEU	V	258
R	H	CD2	LEU	A	308	L	H	HD22	LEU	V	258
R	H	CD2	LEU	A	308	L	H	HD23	LEU	V	258
R	H	CD2	LEU	A	308	L	H	CE2	PHE	V	262
R	H	CD2	LEU	A	308	L	H	HE2	PHE	V	262
R	H	CB	CYS	A	312	L	H	HG22	ILE	V	254
R	H	CB	CYS	A	312	L	H	HD13	LEU	V	258
R	H	SG	CYS	A	312	L	H	CG2	ILE	V	254
R	H	SG	CYS	A	312	L	H	HG21	ILE	V	254
R	H	SG	CYS	A	312	L	H	HG22	ILE	V	254
R	H	SG	CYS	A	312	L	H	HG23	ILE	V	254
R	H	SG	CYS	A	312	L	H	HD13	ILE	V	254
R	H	SG	CYS	A	312	L	H	HD13	LEU	V	258
R	H	CB	ALA	A	315	L	H	HH	TYR	V	209
R	H	CG	ASN	A	316	L	H	HG23	VAL	V	251
R	H	ND2	ASN	A	316	L	H	CG2	VAL	V	251
R	H	ND2	ASN	A	316	L	H	HG22	VAL	V	251
R	H	ND2	ASN	A	316	L	H	HG23	VAL	V	251
R	H	OD1	ASN	A	316	L	H	HG23	VAL	V	251
R	H	O	PHE	A	318	L	H	HE2	PHE	V	213
R	-	CB	LEU	A	319	L	H	CD2	LEU	V	247
R	-	CB	LEU	A	319	L	H	HD23	LEU	V	247
R	-	O	LEU	A	319	L	H	HG23	ILE	V	243
R	-	O	LEU	A	319	L	H	HD13	LEU	V	247
R	-	O	LEU	A	319	L	H	HD23	LEU	V	247
R	-	CG	LEU	A	319	L	H	OH	TYR	V	209
R	-	CG	LEU	A	319	L	H	HE2	TYR	V	209
R	-	CG	LEU	A	319	L	H	HH	TYR	V	209
R	-	CG	LEU	A	319	L	H	HD2	PHE	V	213
R	-	CG	LEU	A	319	L	H	HD23	LEU	V	247
R	-	CD1	LEU	A	319	L	H	CE2	TYR	V	209
R	-	CD1	LEU	A	319	L	H	OH	TYR	V	209
R	-	CD1	LEU	A	319	L	H	CZ	TYR	V	209
R	-	CD1	LEU	A	319	L	H	HE2	TYR	V	209
R	-	CD1	LEU	A	319	L	H	HH	TYR	V	209
R	-	CD1	LEU	A	319	L	H	HD21	LEU	V	247
R	-	CD1	LEU	A	319	L	H	HD23	LEU	V	247
R	-	CD2	LEU	A	319	L	H	OH	TYR	V	209
R	-	CD2	LEU	A	319	L	H	HE2	TYR	V	209
R	-	CD2	LEU	A	319	L	H	CD2	PHE	V	213
R	-	CD2	LEU	A	319	L	H	CE2	PHE	V	213
R	-	CD2	LEU	A	319	L	H	HD2	PHE	V	213
R	-	CD2	LEU	A	319	L	H	HE2	PHE	V	213
R	-	C	TYR	A	321	L	H	HD13	LEU	V	220
R	-	O	TYR	A	321	L	H	HD12	LEU	V	220
R	-	O	TYR	A	321	L	H	HD13	LEU	V	220
R	-	OXT	TYR	A	321	L	H	HD12	LEU	V	220
R	-	OXT	TYR	A	321	L	H	HD13	LEU	V	220

- 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