IID

P51793_P21579.1 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	GLN	A	113	L	-	ALA	V	12
R	H	TRP	A	116	L	-	LEU	V	10
R	H	TRP	A	116	L	-	GLU	V	8
R	H	TRP	A	116	L	-	ALA	V	9
R	-	ASN	A	119	L	-	GLU	V	8
R	-	THR	A	121	L	-	SER	V	5
R	-	THR	A	121	L	-	HIS	V	6
R	-	THR	A	122	L	-	GLU	V	4
R	-	THR	A	122	L	-	SER	V	5
R	-	THR	A	122	L	-	HIS	V	6
R	H	PHE	A	123	L	-	GLU	V	4
R	H	PHE	A	123	L	-	SER	V	5
R	H	GLU	A	124	L	-	VAL	V	2
R	H	GLU	A	124	L	-	SER	V	3
R	-	ARG	A	126	L	-	HIS	V	7
R	H	TRP	A	202	L	-	VAL	V	21
R	H	LEU	A	205	L	-	ALA	V	19
R	H	ILE	A	308	L	-	ALA	V	12
R	-	ASN	A	309	L	-	ALA	V	11
R	-	PRO	A	310	L	-	ALA	V	12
R	-	GLY	A	312	L	-	LEU	V	10
R	-	GLY	A	312	L	-	ALA	V	11
R	H	PHE	A	333	L	S	GLN	V	147
R	H	PHE	A	333	L	S	GLN	V	165
R	H	LEU	A	337	L	S	GLN	V	165
R	H	LEU	A	337	L	-	VAL	V	206
R	H	LEU	A	337	L	-	ASN	V	208
R	H	VAL	A	340	L	-	VAL	V	206
R	H	PHE	A	341	L	-	HIS	V	199
R	H	PHE	A	341	L	-	VAL	V	206
R	H	PHE	A	341	L	-	ASN	V	208
R	H	LEU	A	344	L	-	THR	V	202
R	H	LEU	A	344	L	-	ASN	V	204
R	H	LEU	A	344	L	-	PRO	V	205
R	H	LEU	A	344	L	-	VAL	V	206
R	H	LEU	A	348	L	-	ARG	V	200
R	H	ARG	A	351	L	-	LYS	V	201
R	H	CYS	A	352	L	-	ARG	V	200
R	H	ARG	A	359	L	-	ARG	V	234
R	H	ARG	A	364	L	H	PHE	V	40
R	-	TYR	A	368	L	H	LYS	V	44
R	-	ILE	A	417	L	-	GLN	V	155
R	H	VAL	A	436	L	-	ASN	V	156
R	H	TYR	A	439	L	S	ASP	V	153
R	H	TYR	A	439	L	-	ASN	V	156
R	H	TYR	A	439	L	S	LEU	V	160
R	H	MET	A	442	L	S	GLN	V	210
R	H	TRP	A	443	L	S	PHE	V	194
R	H	TRP	A	443	L	S	PHE	V	211
R	H	ALA	A	446	L	-	LYS	V	197
R	H	LEU	A	449	L	-	LYS	V	197
R	H	ILE	A	450	L	-	LYS	V	197
R	H	ILE	A	453	L	-	LYS	V	197
R	H	VAL	A	483	L	-	ASN	V	208
R	H	LEU	A	490	L	-	VAL	V	256
R	H	HIS	A	493	L	-	HIS	V	255
R	H	HIS	A	493	L	-	VAL	V	256
R	-	HIS	A	494	L	-	HIS	V	255
R	-	HIS	A	494	L	-	VAL	V	256
R	-	TRP	A	497	L	-	HIS	V	255
R	-	TRP	A	497	L	-	VAL	V	256
R	-	TRP	A	497	L	S	THR	V	257
R	-	TRP	A	497	L	S	GLU	V	258
R	H	PHE	A	566	L	-	LYS	V	201
R	H	PHE	A	566	L	-	THR	V	202
R	H	VAL	A	87	L	-	PRO	V	14
R	H	VAL	A	87	L	-	VAL	V	15
R	H	LEU	A	90	L	-	PRO	V	13
R	H	LEU	A	90	L	-	PRO	V	14
R	H	ALA	A	91	L	-	PRO	V	14

- 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

P51793_P21579.1 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	CA	VAL	A	87	L	-	HB2	PRO	V	14
R	H	CA	VAL	A	87	L	-	HB3	PRO	V	14
R	H	C	VAL	A	87	L	-	HB2	PRO	V	14
R	H	CB	VAL	A	87	L	-	HB3	PRO	V	14
R	H	O	VAL	A	87	L	-	HB2	PRO	V	14
R	H	O	VAL	A	87	L	-	HB3	PRO	V	14
R	H	CG1	VAL	A	87	L	-	HB3	PRO	V	14
R	H	CG2	VAL	A	87	L	-	HA	PRO	V	14
R	H	CG2	VAL	A	87	L	-	HB3	PRO	V	14
R	H	CG2	VAL	A	87	L	-	N	VAL	V	15
R	H	CG2	VAL	A	87	L	-	O	VAL	V	15
R	H	CG2	VAL	A	87	L	-	H	VAL	V	15
R	H	C	LEU	A	90	L	-	HG3	PRO	V	14
R	H	CB	LEU	A	90	L	-	CB	PRO	V	14
R	H	CB	LEU	A	90	L	-	CG	PRO	V	14
R	H	CB	LEU	A	90	L	-	HB2	PRO	V	14
R	H	CB	LEU	A	90	L	-	HG3	PRO	V	14
R	H	CB	LEU	A	90	L	-	HD2	PRO	V	14
R	H	CG	LEU	A	90	L	-	CA	PRO	V	13
R	H	CG	LEU	A	90	L	-	C	PRO	V	13
R	H	CG	LEU	A	90	L	-	HA	PRO	V	13
R	H	CG	LEU	A	90	L	-	N	PRO	V	14
R	H	CG	LEU	A	90	L	-	CD	PRO	V	14
R	H	CG	LEU	A	90	L	-	HB2	PRO	V	14
R	H	CG	LEU	A	90	L	-	HG3	PRO	V	14
R	H	CG	LEU	A	90	L	-	HD2	PRO	V	14
R	H	CD1	LEU	A	90	L	-	HA	PRO	V	13
R	H	CD2	LEU	A	90	L	-	N	PRO	V	13
R	H	CD2	LEU	A	90	L	-	CA	PRO	V	13
R	H	CD2	LEU	A	90	L	-	C	PRO	V	13
R	H	CD2	LEU	A	90	L	-	CB	PRO	V	13
R	H	CD2	LEU	A	90	L	-	O	PRO	V	13
R	H	CD2	LEU	A	90	L	-	HA	PRO	V	13
R	H	CD2	LEU	A	90	L	-	N	PRO	V	14
R	H	CD2	LEU	A	90	L	-	CA	PRO	V	14
R	H	CD2	LEU	A	90	L	-	CB	PRO	V	14
R	H	CD2	LEU	A	90	L	-	CG	PRO	V	14
R	H	CD2	LEU	A	90	L	-	CD	PRO	V	14
R	H	CD2	LEU	A	90	L	-	HA	PRO	V	14
R	H	CD2	LEU	A	90	L	-	HB2	PRO	V	14
R	H	CD2	LEU	A	90	L	-	HG3	PRO	V	14
R	H	CD2	LEU	A	90	L	-	HD2	PRO	V	14
R	H	CD2	LEU	A	90	L	-	HD3	PRO	V	14
R	H	N	ALA	A	91	L	-	HG3	PRO	V	14
R	H	CD	GLN	A	113	L	-	H	ALA	V	12
R	H	CD	GLN	A	113	L	-	HA	ALA	V	12
R	H	NE2	GLN	A	113	L	-	N	ALA	V	12
R	H	NE2	GLN	A	113	L	-	CA	ALA	V	12
R	H	NE2	GLN	A	113	L	-	H	ALA	V	12
R	H	NE2	GLN	A	113	L	-	HA	ALA	V	12
R	H	CA	TRP	A	116	L	-	H	ALA	V	9
R	H	C	TRP	A	116	L	-	HG3	GLU	V	8
R	H	CB	TRP	A	116	L	-	H	ALA	V	9
R	H	O	TRP	A	116	L	-	CG	GLU	V	8
R	H	O	TRP	A	116	L	-	HA	GLU	V	8
R	H	O	TRP	A	116	L	-	HG2	GLU	V	8
R	H	O	TRP	A	116	L	-	HG3	GLU	V	8
R	H	O	TRP	A	116	L	-	H	ALA	V	9
R	H	CG	TRP	A	116	L	-	H	ALA	V	9
R	H	CD1	TRP	A	116	L	-	H	ALA	V	9
R	H	CD2	TRP	A	116	L	-	C	ALA	V	9
R	H	CD2	TRP	A	116	L	-	O	ALA	V	9
R	H	CD2	TRP	A	116	L	-	H	ALA	V	9
R	H	CD2	TRP	A	116	L	-	N	LEU	V	10
R	H	CD2	TRP	A	116	L	-	H	LEU	V	10
R	H	CE2	TRP	A	116	L	-	C	ALA	V	9
R	H	CE2	TRP	A	116	L	-	O	ALA	V	9
R	H	CE2	TRP	A	116	L	-	H	LEU	V	10
R	H	CE3	TRP	A	116	L	-	C	ALA	V	9
R	H	CE3	TRP	A	116	L	-	O	ALA	V	9
R	H	CE3	TRP	A	116	L	-	N	LEU	V	10
R	H	CE3	TRP	A	116	L	-	CA	LEU	V	10
R	H	CE3	TRP	A	116	L	-	C	LEU	V	10
R	H	CE3	TRP	A	116	L	-	O	LEU	V	10
R	H	CE3	TRP	A	116	L	-	H	LEU	V	10
R	H	CE3	TRP	A	116	L	-	HA	LEU	V	10
R	H	CH2	TRP	A	116	L	-	O	ALA	V	9
R	H	CH2	TRP	A	116	L	-	N	LEU	V	10
R	H	CH2	TRP	A	116	L	-	H	LEU	V	10
R	H	CZ2	TRP	A	116	L	-	O	ALA	V	9
R	H	CZ2	TRP	A	116	L	-	H	LEU	V	10
R	H	CZ3	TRP	A	116	L	-	C	ALA	V	9
R	H	CZ3	TRP	A	116	L	-	O	ALA	V	9
R	H	CZ3	TRP	A	116	L	-	N	LEU	V	10
R	H	CZ3	TRP	A	116	L	-	CA	LEU	V	10
R	H	CZ3	TRP	A	116	L	-	C	LEU	V	10
R	H	CZ3	TRP	A	116	L	-	O	LEU	V	10
R	H	CZ3	TRP	A	116	L	-	H	LEU	V	10
R	-	OD1	ASN	A	119	L	-	OE2	GLU	V	8
R	-	C	THR	A	121	L	-	HA	SER	V	5
R	-	C	THR	A	121	L	-	H	HIS	V	6
R	-	O	THR	A	121	L	-	CA	SER	V	5
R	-	O	THR	A	121	L	-	C	SER	V	5
R	-	O	THR	A	121	L	-	HA	SER	V	5
R	-	O	THR	A	121	L	-	HB2	SER	V	5
R	-	O	THR	A	121	L	-	N	HIS	V	6
R	-	O	THR	A	121	L	-	CA	HIS	V	6
R	-	O	THR	A	121	L	-	H	HIS	V	6
R	-	O	THR	A	121	L	-	HA	HIS	V	6
R	-	OG1	THR	A	121	L	-	H	HIS	V	6
R	-	OG1	THR	A	121	L	-	HA	HIS	V	6
R	-	N	THR	A	122	L	-	HA	GLU	V	4
R	-	N	THR	A	122	L	-	HA	SER	V	5
R	-	N	THR	A	122	L	-	H	HIS	V	6
R	-	CA	THR	A	122	L	-	CA	GLU	V	4
R	-	CA	THR	A	122	L	-	H	GLU	V	4
R	-	CA	THR	A	122	L	-	HA	GLU	V	4
R	-	CA	THR	A	122	L	-	HG2	GLU	V	4
R	-	CA	THR	A	122	L	-	N	SER	V	5
R	-	CA	THR	A	122	L	-	CA	SER	V	5
R	-	CA	THR	A	122	L	-	HA	SER	V	5
R	-	CA	THR	A	122	L	-	H	HIS	V	6
R	-	C	THR	A	122	L	-	HA	GLU	V	4
R	-	C	THR	A	122	L	-	N	SER	V	5
R	-	C	THR	A	122	L	-	CA	SER	V	5
R	-	C	THR	A	122	L	-	H	SER	V	5
R	-	C	THR	A	122	L	-	HA	SER	V	5
R	-	CB	THR	A	122	L	-	N	GLU	V	4
R	-	CB	THR	A	122	L	-	CA	GLU	V	4
R	-	CB	THR	A	122	L	-	C	GLU	V	4
R	-	CB	THR	A	122	L	-	H	GLU	V	4
R	-	CB	THR	A	122	L	-	HA	GLU	V	4
R	-	CB	THR	A	122	L	-	HG2	GLU	V	4
R	-	CB	THR	A	122	L	-	HG3	GLU	V	4
R	-	CB	THR	A	122	L	-	HA	SER	V	5
R	-	O	THR	A	122	L	-	HA	SER	V	5
R	-	CG2	THR	A	122	L	-	N	GLU	V	4
R	-	CG2	THR	A	122	L	-	CA	GLU	V	4
R	-	CG2	THR	A	122	L	-	CB	GLU	V	4
R	-	CG2	THR	A	122	L	-	CG	GLU	V	4
R	-	CG2	THR	A	122	L	-	H	GLU	V	4
R	-	CG2	THR	A	122	L	-	HA	GLU	V	4
R	-	CG2	THR	A	122	L	-	HG2	GLU	V	4
R	-	CG2	THR	A	122	L	-	HG3	GLU	V	4
R	-	CG2	THR	A	122	L	-	HA	SER	V	5
R	-	OG1	THR	A	122	L	-	H	GLU	V	4
R	-	OG1	THR	A	122	L	-	HA	GLU	V	4
R	H	N	PHE	A	123	L	-	C	GLU	V	4
R	H	N	PHE	A	123	L	-	HA	GLU	V	4
R	H	N	PHE	A	123	L	-	N	SER	V	5
R	H	N	PHE	A	123	L	-	CA	SER	V	5
R	H	N	PHE	A	123	L	-	C	SER	V	5
R	H	N	PHE	A	123	L	-	O	SER	V	5
R	H	N	PHE	A	123	L	-	H	SER	V	5
R	H	N	PHE	A	123	L	-	HA	SER	V	5
R	H	CA	PHE	A	123	L	-	N	SER	V	5
R	H	CA	PHE	A	123	L	-	H	SER	V	5
R	H	CB	PHE	A	123	L	-	N	SER	V	5
R	H	CB	PHE	A	123	L	-	O	SER	V	5
R	H	CB	PHE	A	123	L	-	H	SER	V	5
R	H	CG	PHE	A	123	L	-	H	SER	V	5
R	H	CD2	PHE	A	123	L	-	O	SER	V	5
R	H	CD	GLU	A	124	L	-	H	SER	V	3
R	H	OE2	GLU	A	124	L	-	O	VAL	V	2
R	H	OE2	GLU	A	124	L	-	H	SER	V	3
R	-	NE	ARG	A	126	L	-	H	HIS	V	7
R	-	NH2	ARG	A	126	L	-	O	HIS	V	7
R	-	NH2	ARG	A	126	L	-	H	HIS	V	7
R	-	CZ	ARG	A	126	L	-	H	HIS	V	7
R	H	CE2	TRP	A	202	L	-	H	VAL	V	21
R	H	NE1	TRP	A	202	L	-	H	VAL	V	21
R	H	CH2	TRP	A	202	L	-	HG22	VAL	V	21
R	H	CZ2	TRP	A	202	L	-	H	VAL	V	21
R	H	CZ2	TRP	A	202	L	-	HA	VAL	V	21
R	H	CZ2	TRP	A	202	L	-	HG22	VAL	V	21
R	H	CD1	LEU	A	205	L	-	H	ALA	V	19
R	H	O	ILE	A	308	L	-	O	ALA	V	12
R	-	O	ASN	A	309	L	-	O	ALA	V	11
R	-	O	PRO	A	310	L	-	H	ALA	V	12
R	-	N	GLY	A	312	L	-	O	ALA	V	11
R	-	CA	GLY	A	312	L	-	O	LEU	V	10
R	-	CA	GLY	A	312	L	-	O	ALA	V	11
R	-	C	GLY	A	312	L	-	O	LEU	V	10
R	-	O	GLY	A	312	L	-	O	LEU	V	10
R	H	CE1	PHE	A	333	L	S	HE22	GLN	V	147
R	H	CZ	PHE	A	333	L	S	HE22	GLN	V	147
R	H	CZ	PHE	A	333	L	S	HE22	GLN	V	165
R	H	C	LEU	A	337	L	-	HG13	VAL	V	206
R	H	C	LEU	A	337	L	-	HD22	ASN	V	208
R	H	CB	LEU	A	337	L	-	HD22	ASN	V	208
R	H	O	LEU	A	337	L	-	CG1	VAL	V	206
R	H	O	LEU	A	337	L	-	HG13	VAL	V	206
R	H	O	LEU	A	337	L	-	HG22	VAL	V	206
R	H	O	LEU	A	337	L	-	HD22	ASN	V	208
R	H	CD2	LEU	A	337	L	S	CD	GLN	V	165
R	H	CD2	LEU	A	337	L	S	NE2	GLN	V	165
R	H	CD2	LEU	A	337	L	S	OE1	GLN	V	165
R	H	CD2	LEU	A	337	L	S	HE22	GLN	V	165
R	H	CA	VAL	A	340	L	-	HG22	VAL	V	206
R	H	C	VAL	A	340	L	-	HG22	VAL	V	206
R	H	CB	VAL	A	340	L	-	CG2	VAL	V	206
R	H	CB	VAL	A	340	L	-	HG21	VAL	V	206
R	H	CB	VAL	A	340	L	-	HG22	VAL	V	206
R	H	CG1	VAL	A	340	L	-	CG2	VAL	V	206
R	H	CG1	VAL	A	340	L	-	HB	VAL	V	206
R	H	CG1	VAL	A	340	L	-	HG21	VAL	V	206
R	H	CG1	VAL	A	340	L	-	HG22	VAL	V	206
R	H	CG1	VAL	A	340	L	-	HG23	VAL	V	206
R	H	CG2	VAL	A	340	L	-	HG22	VAL	V	206
R	H	N	PHE	A	341	L	-	HB	VAL	V	206
R	H	N	PHE	A	341	L	-	HG13	VAL	V	206
R	H	N	PHE	A	341	L	-	HG22	VAL	V	206
R	H	CA	PHE	A	341	L	-	HB	VAL	V	206
R	H	CA	PHE	A	341	L	-	HG13	VAL	V	206
R	H	CB	PHE	A	341	L	-	HB	VAL	V	206
R	H	CB	PHE	A	341	L	-	HG11	VAL	V	206
R	H	CB	PHE	A	341	L	-	HG13	VAL	V	206
R	H	CB	PHE	A	341	L	-	HD21	ASN	V	208
R	H	CG	PHE	A	341	L	-	HD21	ASN	V	208
R	H	CD2	PHE	A	341	L	-	HE1	HIS	V	199
R	H	CD2	PHE	A	341	L	-	O	VAL	V	206
R	H	CE2	PHE	A	341	L	-	HE1	HIS	V	199
R	H	CD1	LEU	A	344	L	-	HG21	THR	V	202
R	H	CD1	LEU	A	344	L	-	O	ASN	V	204
R	H	CD1	LEU	A	344	L	-	HA	PRO	V	205
R	H	CD1	LEU	A	344	L	-	N	VAL	V	206
R	H	CD1	LEU	A	344	L	-	H	VAL	V	206
R	H	CD1	LEU	A	344	L	-	HB	VAL	V	206
R	H	CD1	LEU	A	344	L	-	HG21	VAL	V	206
R	H	CD2	LEU	A	344	L	-	CB	THR	V	202
R	H	CD2	LEU	A	344	L	-	OG1	THR	V	202
R	H	CD2	LEU	A	344	L	-	HB	THR	V	202
R	H	CD2	LEU	A	344	L	-	HG1	THR	V	202
R	H	CD2	LEU	A	344	L	-	HG21	THR	V	202
R	H	CD1	LEU	A	348	L	-	CB	ARG	V	200
R	H	CD1	LEU	A	348	L	-	CG	ARG	V	200
R	H	CD1	LEU	A	348	L	-	CD	ARG	V	200
R	H	CD1	LEU	A	348	L	-	NE	ARG	V	200
R	H	CD1	LEU	A	348	L	-	H	ARG	V	200
R	H	CD1	LEU	A	348	L	-	HB2	ARG	V	200
R	H	CD1	LEU	A	348	L	-	HG2	ARG	V	200
R	H	CD1	LEU	A	348	L	-	HD3	ARG	V	200
R	H	CD	ARG	A	351	L	-	HD2	LYS	V	201
R	H	CD	ARG	A	351	L	-	HZ2	LYS	V	201
R	H	NE	ARG	A	351	L	-	HD2	LYS	V	201
R	H	NE	ARG	A	351	L	-	HZ2	LYS	V	201
R	H	NH1	ARG	A	351	L	-	CB	LYS	V	201
R	H	NH1	ARG	A	351	L	-	CG	LYS	V	201
R	H	NH1	ARG	A	351	L	-	CD	LYS	V	201
R	H	NH1	ARG	A	351	L	-	CE	LYS	V	201
R	H	NH1	ARG	A	351	L	-	NZ	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HB2	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HB3	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HG2	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HG3	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HD2	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HD3	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HE2	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HE3	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HZ2	LYS	V	201
R	H	NH1	ARG	A	351	L	-	HZ3	LYS	V	201
R	H	NH2	ARG	A	351	L	-	CD	LYS	V	201
R	H	NH2	ARG	A	351	L	-	HD2	LYS	V	201
R	H	NH2	ARG	A	351	L	-	HD3	LYS	V	201
R	H	NH2	ARG	A	351	L	-	HZ2	LYS	V	201
R	H	CZ	ARG	A	351	L	-	CD	LYS	V	201
R	H	CZ	ARG	A	351	L	-	CE	LYS	V	201
R	H	CZ	ARG	A	351	L	-	NZ	LYS	V	201
R	H	CZ	ARG	A	351	L	-	HB2	LYS	V	201
R	H	CZ	ARG	A	351	L	-	HD2	LYS	V	201
R	H	CZ	ARG	A	351	L	-	HD3	LYS	V	201
R	H	CZ	ARG	A	351	L	-	HZ2	LYS	V	201
R	H	CZ	ARG	A	351	L	-	HZ3	LYS	V	201
R	H	CA	CYS	A	352	L	-	HH12	ARG	V	200
R	H	CB	CYS	A	352	L	-	HH12	ARG	V	200
R	H	SG	CYS	A	352	L	-	NH1	ARG	V	200
R	H	SG	CYS	A	352	L	-	NH2	ARG	V	200
R	H	SG	CYS	A	352	L	-	CZ	ARG	V	200
R	H	SG	CYS	A	352	L	-	HD3	ARG	V	200
R	H	SG	CYS	A	352	L	-	HH11	ARG	V	200
R	H	SG	CYS	A	352	L	-	HH12	ARG	V	200
R	H	SG	CYS	A	352	L	-	HH22	ARG	V	200
R	H	NH2	ARG	A	359	L	-	HH22	ARG	V	234
R	H	NH1	ARG	A	364	L	H	CZ	PHE	V	40
R	H	NH1	ARG	A	364	L	H	HZ	PHE	V	40
R	H	NH2	ARG	A	364	L	H	HE2	PHE	V	40
R	H	NH2	ARG	A	364	L	H	HZ	PHE	V	40
R	H	CZ	ARG	A	364	L	H	HZ	PHE	V	40
R	-	OH	TYR	A	368	L	H	HZ3	LYS	V	44
R	-	CD1	ILE	A	417	L	-	NE2	GLN	V	155
R	-	CD1	ILE	A	417	L	-	OE1	GLN	V	155
R	-	CD1	ILE	A	417	L	-	HE22	GLN	V	155
R	H	CA	VAL	A	436	L	-	HD22	ASN	V	156
R	H	CB	VAL	A	436	L	-	HD22	ASN	V	156
R	H	CG1	VAL	A	436	L	-	HD22	ASN	V	156
R	H	CG2	VAL	A	436	L	-	HD22	ASN	V	156
R	H	CD1	TYR	A	439	L	S	HD12	LEU	V	160
R	H	CD2	TYR	A	439	L	S	OD2	ASP	V	153
R	H	CD2	TYR	A	439	L	-	HD21	ASN	V	156
R	H	CD2	TYR	A	439	L	-	HD22	ASN	V	156
R	H	CE1	TYR	A	439	L	S	HD12	LEU	V	160
R	H	CE1	TYR	A	439	L	S	HD13	LEU	V	160
R	H	CE2	TYR	A	439	L	S	OD2	ASP	V	153
R	H	CE2	TYR	A	439	L	-	HD21	ASN	V	156
R	H	CZ	TYR	A	439	L	S	OD2	ASP	V	153
R	H	CZ	TYR	A	439	L	S	HD12	LEU	V	160
R	H	CE	MET	A	442	L	S	OE1	GLN	V	210
R	H	CH2	TRP	A	443	L	S	HE1	PHE	V	194
R	H	CZ3	TRP	A	443	L	S	HA	PHE	V	211
R	H	CZ3	TRP	A	443	L	S	HD1	PHE	V	211
R	H	O	ALA	A	446	L	-	HZ1	LYS	V	197
R	H	CA	LEU	A	449	L	-	HZ1	LYS	V	197
R	H	C	LEU	A	449	L	-	NZ	LYS	V	197
R	H	C	LEU	A	449	L	-	HZ1	LYS	V	197
R	H	C	LEU	A	449	L	-	HZ3	LYS	V	197
R	H	CB	LEU	A	449	L	-	NZ	LYS	V	197
R	H	CB	LEU	A	449	L	-	HZ1	LYS	V	197
R	H	CB	LEU	A	449	L	-	HZ2	LYS	V	197
R	H	O	LEU	A	449	L	-	NZ	LYS	V	197
R	H	O	LEU	A	449	L	-	HZ1	LYS	V	197
R	H	O	LEU	A	449	L	-	HZ3	LYS	V	197
R	H	CG	LEU	A	449	L	-	NZ	LYS	V	197
R	H	CG	LEU	A	449	L	-	HZ1	LYS	V	197
R	H	CG	LEU	A	449	L	-	HZ2	LYS	V	197
R	H	CG	LEU	A	449	L	-	HZ3	LYS	V	197
R	H	CD1	LEU	A	449	L	-	HZ1	LYS	V	197
R	H	CD1	LEU	A	449	L	-	HZ3	LYS	V	197
R	H	CD2	LEU	A	449	L	-	NZ	LYS	V	197
R	H	CD2	LEU	A	449	L	-	HZ1	LYS	V	197
R	H	CD2	LEU	A	449	L	-	HZ2	LYS	V	197
R	H	CD2	LEU	A	449	L	-	HZ3	LYS	V	197
R	H	N	ILE	A	450	L	-	CE	LYS	V	197
R	H	N	ILE	A	450	L	-	NZ	LYS	V	197
R	H	N	ILE	A	450	L	-	HE2	LYS	V	197
R	H	N	ILE	A	450	L	-	HZ1	LYS	V	197
R	H	N	ILE	A	450	L	-	HZ3	LYS	V	197
R	H	CA	ILE	A	450	L	-	CE	LYS	V	197
R	H	CA	ILE	A	450	L	-	NZ	LYS	V	197
R	H	CA	ILE	A	450	L	-	HE2	LYS	V	197
R	H	CA	ILE	A	450	L	-	HE3	LYS	V	197
R	H	CA	ILE	A	450	L	-	HZ1	LYS	V	197
R	H	CA	ILE	A	450	L	-	HZ3	LYS	V	197
R	H	CB	ILE	A	450	L	-	CE	LYS	V	197
R	H	CB	ILE	A	450	L	-	HE2	LYS	V	197
R	H	CB	ILE	A	450	L	-	HE3	LYS	V	197
R	H	CB	ILE	A	450	L	-	HZ1	LYS	V	197
R	H	CG1	ILE	A	450	L	-	CE	LYS	V	197
R	H	CG1	ILE	A	450	L	-	NZ	LYS	V	197
R	H	CG1	ILE	A	450	L	-	HE2	LYS	V	197
R	H	CG1	ILE	A	450	L	-	HE3	LYS	V	197
R	H	CG1	ILE	A	450	L	-	HZ1	LYS	V	197
R	H	CG2	ILE	A	450	L	-	HE2	LYS	V	197
R	H	CD1	ILE	A	450	L	-	CE	LYS	V	197
R	H	CD1	ILE	A	450	L	-	HE2	LYS	V	197
R	H	CD1	ILE	A	450	L	-	HE3	LYS	V	197
R	H	CB	ILE	A	453	L	-	HZ3	LYS	V	197
R	H	CG1	ILE	A	453	L	-	HZ3	LYS	V	197
R	H	CD1	ILE	A	453	L	-	CD	LYS	V	197
R	H	CD1	ILE	A	453	L	-	CE	LYS	V	197
R	H	CD1	ILE	A	453	L	-	NZ	LYS	V	197
R	H	CD1	ILE	A	453	L	-	HD2	LYS	V	197
R	H	CD1	ILE	A	453	L	-	HE2	LYS	V	197
R	H	CD1	ILE	A	453	L	-	HZ1	LYS	V	197
R	H	CD1	ILE	A	453	L	-	HZ2	LYS	V	197
R	H	CD1	ILE	A	453	L	-	HZ3	LYS	V	197
R	H	CG2	VAL	A	483	L	-	HB3	ASN	V	208
R	H	CA	LEU	A	490	L	-	HG23	VAL	V	256
R	H	CG	LEU	A	490	L	-	HB	VAL	V	256
R	H	CG	LEU	A	490	L	-	HG12	VAL	V	256
R	H	CD1	LEU	A	490	L	-	CB	VAL	V	256
R	H	CD1	LEU	A	490	L	-	CG1	VAL	V	256
R	H	CD1	LEU	A	490	L	-	CG2	VAL	V	256
R	H	CD1	LEU	A	490	L	-	HB	VAL	V	256
R	H	CD1	LEU	A	490	L	-	HG11	VAL	V	256
R	H	CD1	LEU	A	490	L	-	HG12	VAL	V	256
R	H	CD1	LEU	A	490	L	-	HG23	VAL	V	256
R	H	CB	HIS	A	493	L	-	HG21	VAL	V	256
R	H	O	HIS	A	493	L	-	ND1	HIS	V	255
R	-	CG	HIS	A	494	L	-	CB	HIS	V	255
R	-	CG	HIS	A	494	L	-	HA	HIS	V	255
R	-	CG	HIS	A	494	L	-	HB3	HIS	V	255
R	-	CG	HIS	A	494	L	-	N	VAL	V	256
R	-	CG	HIS	A	494	L	-	H	VAL	V	256
R	-	CG	HIS	A	494	L	-	HB	VAL	V	256
R	-	CD2	HIS	A	494	L	-	CA	HIS	V	255
R	-	CD2	HIS	A	494	L	-	C	HIS	V	255
R	-	CD2	HIS	A	494	L	-	CB	HIS	V	255
R	-	CD2	HIS	A	494	L	-	CG	HIS	V	255
R	-	CD2	HIS	A	494	L	-	ND1	HIS	V	255
R	-	CD2	HIS	A	494	L	-	HA	HIS	V	255
R	-	CD2	HIS	A	494	L	-	HB2	HIS	V	255
R	-	CD2	HIS	A	494	L	-	HB3	HIS	V	255
R	-	CD2	HIS	A	494	L	-	N	VAL	V	256
R	-	CD2	HIS	A	494	L	-	H	VAL	V	256
R	-	ND1	HIS	A	494	L	-	HA	HIS	V	255
R	-	ND1	HIS	A	494	L	-	HB3	HIS	V	255
R	-	ND1	HIS	A	494	L	-	N	VAL	V	256
R	-	ND1	HIS	A	494	L	-	CA	VAL	V	256
R	-	ND1	HIS	A	494	L	-	CB	VAL	V	256
R	-	ND1	HIS	A	494	L	-	CG2	VAL	V	256
R	-	ND1	HIS	A	494	L	-	H	VAL	V	256
R	-	ND1	HIS	A	494	L	-	HB	VAL	V	256
R	-	ND1	HIS	A	494	L	-	HG21	VAL	V	256
R	-	ND1	HIS	A	494	L	-	HG23	VAL	V	256
R	-	CE1	HIS	A	494	L	-	CA	HIS	V	255
R	-	CE1	HIS	A	494	L	-	C	HIS	V	255
R	-	CE1	HIS	A	494	L	-	CB	HIS	V	255
R	-	CE1	HIS	A	494	L	-	O	HIS	V	255
R	-	CE1	HIS	A	494	L	-	HA	HIS	V	255
R	-	CE1	HIS	A	494	L	-	HB2	HIS	V	255
R	-	CE1	HIS	A	494	L	-	HB3	HIS	V	255
R	-	CE1	HIS	A	494	L	-	N	VAL	V	256
R	-	CE1	HIS	A	494	L	-	CA	VAL	V	256
R	-	CE1	HIS	A	494	L	-	C	VAL	V	256
R	-	CE1	HIS	A	494	L	-	CB	VAL	V	256
R	-	CE1	HIS	A	494	L	-	O	VAL	V	256
R	-	CE1	HIS	A	494	L	-	CG2	VAL	V	256
R	-	CE1	HIS	A	494	L	-	H	VAL	V	256
R	-	CE1	HIS	A	494	L	-	HA	VAL	V	256
R	-	CE1	HIS	A	494	L	-	HB	VAL	V	256
R	-	CE1	HIS	A	494	L	-	HG21	VAL	V	256
R	-	CE1	HIS	A	494	L	-	HG22	VAL	V	256
R	-	CE1	HIS	A	494	L	-	HG23	VAL	V	256
R	-	NE2	HIS	A	494	L	-	N	HIS	V	255
R	-	NE2	HIS	A	494	L	-	CA	HIS	V	255
R	-	NE2	HIS	A	494	L	-	C	HIS	V	255
R	-	NE2	HIS	A	494	L	-	CB	HIS	V	255
R	-	NE2	HIS	A	494	L	-	O	HIS	V	255
R	-	NE2	HIS	A	494	L	-	CG	HIS	V	255
R	-	NE2	HIS	A	494	L	-	ND1	HIS	V	255
R	-	NE2	HIS	A	494	L	-	HA	HIS	V	255
R	-	NE2	HIS	A	494	L	-	HB2	HIS	V	255
R	-	NE2	HIS	A	494	L	-	HB3	HIS	V	255
R	-	NE2	HIS	A	494	L	-	N	VAL	V	256
R	-	NE2	HIS	A	494	L	-	CA	VAL	V	256
R	-	NE2	HIS	A	494	L	-	C	VAL	V	256
R	-	NE2	HIS	A	494	L	-	CB	VAL	V	256
R	-	NE2	HIS	A	494	L	-	O	VAL	V	256
R	-	NE2	HIS	A	494	L	-	H	VAL	V	256
R	-	NE2	HIS	A	494	L	-	HB	VAL	V	256
R	-	NE2	HIS	A	494	L	-	HG21	VAL	V	256
R	-	CE2	TRP	A	497	L	-	O	VAL	V	256
R	-	NE1	TRP	A	497	L	-	HB3	HIS	V	255
R	-	CH2	TRP	A	497	L	-	C	VAL	V	256
R	-	CH2	TRP	A	497	L	-	O	VAL	V	256
R	-	CH2	TRP	A	497	L	-	HB	VAL	V	256
R	-	CH2	TRP	A	497	L	S	HA	THR	V	257
R	-	CH2	TRP	A	497	L	S	H	GLU	V	258
R	-	CH2	TRP	A	497	L	S	HB3	GLU	V	258
R	-	CZ2	TRP	A	497	L	-	HB3	HIS	V	255
R	-	CZ2	TRP	A	497	L	-	C	VAL	V	256
R	-	CZ2	TRP	A	497	L	-	O	VAL	V	256
R	-	CZ2	TRP	A	497	L	S	HA	THR	V	257
R	-	CZ3	TRP	A	497	L	-	O	VAL	V	256
R	-	CZ3	TRP	A	497	L	S	HB3	GLU	V	258
R	H	CD1	PHE	A	566	L	-	O	LYS	V	201
R	H	CD1	PHE	A	566	L	-	HB2	LYS	V	201
R	H	CD1	PHE	A	566	L	-	HB3	LYS	V	201
R	H	CE1	PHE	A	566	L	-	C	LYS	V	201
R	H	CE1	PHE	A	566	L	-	O	LYS	V	201
R	H	CE1	PHE	A	566	L	-	CA	THR	V	202
R	H	CE1	PHE	A	566	L	-	HA	THR	V	202
R	H	CE1	PHE	A	566	L	-	HB	THR	V	202
R	H	CE1	PHE	A	566	L	-	HG1	THR	V	202
R	H	CE2	PHE	A	566	L	-	HB	THR	V	202
R	H	CE2	PHE	A	566	L	-	HG1	THR	V	202
R	H	CZ	PHE	A	566	L	-	O	LYS	V	201
R	H	CZ	PHE	A	566	L	-	CA	THR	V	202
R	H	CZ	PHE	A	566	L	-	CB	THR	V	202
R	H	CZ	PHE	A	566	L	-	OG1	THR	V	202
R	H	CZ	PHE	A	566	L	-	HA	THR	V	202
R	H	CZ	PHE	A	566	L	-	HB	THR	V	202
R	H	CZ	PHE	A	566	L	-	HG1	THR	V	202

- 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