IID

P38567_O95813.1 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	-	SER	A	104	L	-	HIS	V	2
R	-	SER	A	104	L	-	PHE	V	6
R	-	ILE	A	105	L	-	HIS	V	2
R	-	TRP	A	158	L	H	VAL	V	10
R	-	TRP	A	158	L	-	LEU	V	12
R	-	TRP	A	158	L	-	PRO	V	13
R	-	TRP	A	158	L	-	LEU	V	14
R	-	TRP	A	158	L	H	LEU	V	9
R	-	LYS	A	159	L	H	LEU	V	9
R	-	PRO	A	160	L	H	LEU	V	9
R	H	LYS	A	161	L	-	PHE	V	6
R	-	HIS	A	227	L	H	VAL	V	10
R	-	HIS	A	227	L	H	LEU	V	11
R	-	HIS	A	228	L	H	LEU	V	11
R	-	HIS	A	228	L	-	PRO	V	13
R	H	ARG	A	245	L	-	GLY	V	15
R	H	PHE	A	25	L	-	SER	V	31
R	H	PHE	A	25	L	-	VAL	V	33
R	-	ASN	A	266	L	-	GLN	V	7
R	H	LEU	A	28	L	-	LEU	V	34
R	H	LEU	A	29	L	-	PRO	V	32
R	-	ASP	A	293	L	-	ARG	V	40
R	-	LYS	A	295	L	-	ARG	V	40
R	-	THR	A	309	L	-	LEU	V	3
R	-	THR	A	309	L	-	GLN	V	7
R	H	PRO	A	31	L	-	PHE	V	195
R	-	ASP	A	310	L	-	GLN	V	7
R	-	VAL	A	312	L	-	LEU	V	3
R	H	CYS	A	32	L	-	LEU	V	34
R	-	LEU	A	34	L	-	PHE	V	195
R	-	LEU	A	34	L	-	PRO	V	196
R	-	LEU	A	34	L	-	GLY	V	197
R	-	LEU	A	34	L	-	HIS	V	203
R	-	THR	A	35	L	-	PRO	V	196
R	-	LEU	A	36	L	S	VAL	V	193
R	-	LEU	A	36	L	S	HIS	V	194
R	-	LEU	A	36	L	-	PHE	V	195
R	-	LEU	A	36	L	-	PRO	V	196
R	-	ASN	A	37	L	-	PRO	V	196
R	-	PHE	A	38	L	S	HIS	V	194
R	-	PHE	A	38	L	-	PRO	V	196
R	-	LYS	A	390	L	-	ALA	V	199
R	S	TYR	A	434	L	-	GLY	V	197
R	S	TYR	A	434	L	-	ALA	V	199
R	S	CYS	A	437	L	S	HIS	V	194
R	-	LEU	A	441	L	S	HIS	V	194
R	-	SER	A	442	L	S	HIS	V	194
R	-	SER	A	442	L	S	THR	V	204
R	-	CYS	A	443	L	S	HIS	V	194
R	-	CYS	A	443	L	-	SER	V	202
R	-	CYS	A	443	L	S	THR	V	204
R	-	LYS	A	444	L	S	HIS	V	194
R	-	LYS	A	444	L	-	SER	V	202
R	-	GLU	A	445	L	-	ALA	V	199
R	-	GLU	A	445	L	-	GLN	V	200
R	-	GLU	A	445	L	-	SER	V	202

- 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

P38567_O95813.1 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	CD1	PHE	A	25	L	-	HB2	SER	V	31
R	H	CD1	PHE	A	25	L	-	HB3	SER	V	31
R	H	CE1	PHE	A	25	L	-	CB	SER	V	31
R	H	CE1	PHE	A	25	L	-	HB2	SER	V	31
R	H	CE1	PHE	A	25	L	-	HB3	SER	V	31
R	H	CE1	PHE	A	25	L	-	HG	SER	V	31
R	H	CE1	PHE	A	25	L	-	HG22	VAL	V	33
R	H	CZ	PHE	A	25	L	-	HB2	SER	V	31
R	H	CZ	PHE	A	25	L	-	HG22	VAL	V	33
R	H	CA	LEU	A	28	L	-	CD1	LEU	V	34
R	H	CA	LEU	A	28	L	-	HD11	LEU	V	34
R	H	CA	LEU	A	28	L	-	HD12	LEU	V	34
R	H	CA	LEU	A	28	L	-	HD13	LEU	V	34
R	H	C	LEU	A	28	L	-	CD1	LEU	V	34
R	H	C	LEU	A	28	L	-	HD11	LEU	V	34
R	H	C	LEU	A	28	L	-	HD12	LEU	V	34
R	H	C	LEU	A	28	L	-	HD13	LEU	V	34
R	H	CB	LEU	A	28	L	-	CD1	LEU	V	34
R	H	CB	LEU	A	28	L	-	HB2	LEU	V	34
R	H	CB	LEU	A	28	L	-	HD11	LEU	V	34
R	H	CB	LEU	A	28	L	-	HD12	LEU	V	34
R	H	CB	LEU	A	28	L	-	HD13	LEU	V	34
R	H	O	LEU	A	28	L	-	CD1	LEU	V	34
R	H	O	LEU	A	28	L	-	HD11	LEU	V	34
R	H	O	LEU	A	28	L	-	HD12	LEU	V	34
R	H	O	LEU	A	28	L	-	HD13	LEU	V	34
R	H	CG	LEU	A	28	L	-	CD1	LEU	V	34
R	H	CG	LEU	A	28	L	-	HB2	LEU	V	34
R	H	CG	LEU	A	28	L	-	HD11	LEU	V	34
R	H	CG	LEU	A	28	L	-	HD13	LEU	V	34
R	H	CD1	LEU	A	28	L	-	H	LEU	V	34
R	H	CD1	LEU	A	28	L	-	HB2	LEU	V	34
R	H	CD2	LEU	A	28	L	-	CB	LEU	V	34
R	H	CD2	LEU	A	28	L	-	CG	LEU	V	34
R	H	CD2	LEU	A	28	L	-	CD1	LEU	V	34
R	H	CD2	LEU	A	28	L	-	HB2	LEU	V	34
R	H	CD2	LEU	A	28	L	-	HB3	LEU	V	34
R	H	CD2	LEU	A	28	L	-	HD11	LEU	V	34
R	H	CD2	LEU	A	28	L	-	HD13	LEU	V	34
R	H	CD2	LEU	A	28	L	-	HD23	LEU	V	34
R	H	CG	LEU	A	29	L	-	HG3	PRO	V	32
R	H	CD2	LEU	A	29	L	-	CG	PRO	V	32
R	H	CD2	LEU	A	29	L	-	HG2	PRO	V	32
R	H	CD2	LEU	A	29	L	-	HG3	PRO	V	32
R	H	O	PRO	A	31	L	-	CE1	PHE	V	195
R	H	O	PRO	A	31	L	-	HE1	PHE	V	195
R	H	SG	CYS	A	32	L	-	HG	LEU	V	34
R	H	SG	CYS	A	32	L	-	HD12	LEU	V	34
R	-	CA	LEU	A	34	L	-	HB3	PHE	V	195
R	-	CA	LEU	A	34	L	-	HD1	PHE	V	195
R	-	C	LEU	A	34	L	-	HD1	PHE	V	195
R	-	CB	LEU	A	34	L	-	CB	PHE	V	195
R	-	CB	LEU	A	34	L	-	CG	PHE	V	195
R	-	CB	LEU	A	34	L	-	CD1	PHE	V	195
R	-	CB	LEU	A	34	L	-	HB3	PHE	V	195
R	-	CB	LEU	A	34	L	-	HD1	PHE	V	195
R	-	O	LEU	A	34	L	-	CD1	PHE	V	195
R	-	O	LEU	A	34	L	-	CE1	PHE	V	195
R	-	O	LEU	A	34	L	-	HB3	PHE	V	195
R	-	O	LEU	A	34	L	-	HD1	PHE	V	195
R	-	O	LEU	A	34	L	-	HE1	PHE	V	195
R	-	O	LEU	A	34	L	-	HD3	PRO	V	196
R	-	CG	LEU	A	34	L	-	HB3	PHE	V	195
R	-	CD1	LEU	A	34	L	-	CB	PHE	V	195
R	-	CD1	LEU	A	34	L	-	CG	PHE	V	195
R	-	CD1	LEU	A	34	L	-	HB2	PHE	V	195
R	-	CD1	LEU	A	34	L	-	HB3	PHE	V	195
R	-	CD1	LEU	A	34	L	-	HB3	HIS	V	203
R	-	CD1	LEU	A	34	L	-	HD2	HIS	V	203
R	-	CD2	LEU	A	34	L	-	HB3	PHE	V	195
R	-	CD2	LEU	A	34	L	-	HA2	GLY	V	197
R	-	C	THR	A	35	L	-	CG	PRO	V	196
R	-	C	THR	A	35	L	-	CD	PRO	V	196
R	-	C	THR	A	35	L	-	HG2	PRO	V	196
R	-	C	THR	A	35	L	-	HG3	PRO	V	196
R	-	C	THR	A	35	L	-	HD3	PRO	V	196
R	-	O	THR	A	35	L	-	O	PRO	V	196
R	-	O	THR	A	35	L	-	CG	PRO	V	196
R	-	O	THR	A	35	L	-	CD	PRO	V	196
R	-	O	THR	A	35	L	-	HG2	PRO	V	196
R	-	O	THR	A	35	L	-	HG3	PRO	V	196
R	-	O	THR	A	35	L	-	HD3	PRO	V	196
R	-	N	LEU	A	36	L	-	HD1	PHE	V	195
R	-	N	LEU	A	36	L	-	CG	PRO	V	196
R	-	N	LEU	A	36	L	-	CD	PRO	V	196
R	-	N	LEU	A	36	L	-	HG2	PRO	V	196
R	-	N	LEU	A	36	L	-	HG3	PRO	V	196
R	-	N	LEU	A	36	L	-	HD3	PRO	V	196
R	-	CA	LEU	A	36	L	-	HA	PHE	V	195
R	-	CA	LEU	A	36	L	-	CG	PRO	V	196
R	-	CA	LEU	A	36	L	-	CD	PRO	V	196
R	-	CA	LEU	A	36	L	-	HG2	PRO	V	196
R	-	CA	LEU	A	36	L	-	HG3	PRO	V	196
R	-	CA	LEU	A	36	L	-	HD2	PRO	V	196
R	-	CA	LEU	A	36	L	-	HD3	PRO	V	196
R	-	C	LEU	A	36	L	-	CG	PRO	V	196
R	-	C	LEU	A	36	L	-	CD	PRO	V	196
R	-	C	LEU	A	36	L	-	HG2	PRO	V	196
R	-	C	LEU	A	36	L	-	HG3	PRO	V	196
R	-	C	LEU	A	36	L	-	HD2	PRO	V	196
R	-	C	LEU	A	36	L	-	HD3	PRO	V	196
R	-	CB	LEU	A	36	L	-	CD	PRO	V	196
R	-	CB	LEU	A	36	L	-	HG3	PRO	V	196
R	-	CB	LEU	A	36	L	-	HD2	PRO	V	196
R	-	CB	LEU	A	36	L	-	HD3	PRO	V	196
R	-	O	LEU	A	36	L	-	CG	PRO	V	196
R	-	O	LEU	A	36	L	-	HG2	PRO	V	196
R	-	O	LEU	A	36	L	-	HG3	PRO	V	196
R	-	CG	LEU	A	36	L	-	CD1	PHE	V	195
R	-	CG	LEU	A	36	L	-	HA	PHE	V	195
R	-	CG	LEU	A	36	L	-	HD1	PHE	V	195
R	-	CG	LEU	A	36	L	-	HD2	PRO	V	196
R	-	CG	LEU	A	36	L	-	HD3	PRO	V	196
R	-	CD1	LEU	A	36	L	S	HG13	VAL	V	193
R	-	CD2	LEU	A	36	L	S	CG1	VAL	V	193
R	-	CD2	LEU	A	36	L	S	HG11	VAL	V	193
R	-	CD2	LEU	A	36	L	S	HG13	VAL	V	193
R	-	CD2	LEU	A	36	L	S	C	HIS	V	194
R	-	CD2	LEU	A	36	L	S	O	HIS	V	194
R	-	CD2	LEU	A	36	L	-	N	PHE	V	195
R	-	CD2	LEU	A	36	L	-	CA	PHE	V	195
R	-	CD2	LEU	A	36	L	-	CD1	PHE	V	195
R	-	CD2	LEU	A	36	L	-	HA	PHE	V	195
R	-	CD2	LEU	A	36	L	-	HD1	PHE	V	195
R	-	CD2	LEU	A	36	L	-	CD	PRO	V	196
R	-	CD2	LEU	A	36	L	-	HD2	PRO	V	196
R	-	CD2	LEU	A	36	L	-	HD3	PRO	V	196
R	-	N	ASN	A	37	L	-	CB	PRO	V	196
R	-	N	ASN	A	37	L	-	CG	PRO	V	196
R	-	N	ASN	A	37	L	-	CD	PRO	V	196
R	-	N	ASN	A	37	L	-	HB2	PRO	V	196
R	-	N	ASN	A	37	L	-	HB3	PRO	V	196
R	-	N	ASN	A	37	L	-	HG2	PRO	V	196
R	-	N	ASN	A	37	L	-	HG3	PRO	V	196
R	-	N	ASN	A	37	L	-	HD2	PRO	V	196
R	-	N	ASN	A	37	L	-	HD3	PRO	V	196
R	-	CA	ASN	A	37	L	-	CB	PRO	V	196
R	-	CA	ASN	A	37	L	-	CG	PRO	V	196
R	-	CA	ASN	A	37	L	-	CD	PRO	V	196
R	-	CA	ASN	A	37	L	-	HB2	PRO	V	196
R	-	CA	ASN	A	37	L	-	HB3	PRO	V	196
R	-	CA	ASN	A	37	L	-	HG2	PRO	V	196
R	-	CA	ASN	A	37	L	-	HG3	PRO	V	196
R	-	C	ASN	A	37	L	-	CB	PRO	V	196
R	-	C	ASN	A	37	L	-	CG	PRO	V	196
R	-	C	ASN	A	37	L	-	HB2	PRO	V	196
R	-	C	ASN	A	37	L	-	HB3	PRO	V	196
R	-	C	ASN	A	37	L	-	HG3	PRO	V	196
R	-	CB	ASN	A	37	L	-	CB	PRO	V	196
R	-	CB	ASN	A	37	L	-	CG	PRO	V	196
R	-	CB	ASN	A	37	L	-	HB2	PRO	V	196
R	-	CB	ASN	A	37	L	-	HB3	PRO	V	196
R	-	CB	ASN	A	37	L	-	HG2	PRO	V	196
R	-	CB	ASN	A	37	L	-	HG3	PRO	V	196
R	-	O	ASN	A	37	L	-	CB	PRO	V	196
R	-	O	ASN	A	37	L	-	CG	PRO	V	196
R	-	O	ASN	A	37	L	-	HB2	PRO	V	196
R	-	O	ASN	A	37	L	-	HB3	PRO	V	196
R	-	O	ASN	A	37	L	-	HG3	PRO	V	196
R	-	CG	ASN	A	37	L	-	HB2	PRO	V	196
R	-	CG	ASN	A	37	L	-	HG3	PRO	V	196
R	-	ND2	ASN	A	37	L	-	HB2	PRO	V	196
R	-	N	PHE	A	38	L	-	HB3	PRO	V	196
R	-	N	PHE	A	38	L	-	HG3	PRO	V	196
R	-	CD1	PHE	A	38	L	S	HB2	HIS	V	194
R	-	CD1	PHE	A	38	L	S	HD2	HIS	V	194
R	-	CE1	PHE	A	38	L	S	CB	HIS	V	194
R	-	CE1	PHE	A	38	L	S	O	HIS	V	194
R	-	CE1	PHE	A	38	L	S	CG	HIS	V	194
R	-	CE1	PHE	A	38	L	S	CD2	HIS	V	194
R	-	CE1	PHE	A	38	L	S	HB2	HIS	V	194
R	-	CE1	PHE	A	38	L	S	HD2	HIS	V	194
R	-	CE2	PHE	A	38	L	S	O	HIS	V	194
R	-	CE2	PHE	A	38	L	S	HB2	HIS	V	194
R	-	CZ	PHE	A	38	L	S	N	HIS	V	194
R	-	CZ	PHE	A	38	L	S	CA	HIS	V	194
R	-	CZ	PHE	A	38	L	S	C	HIS	V	194
R	-	CZ	PHE	A	38	L	S	CB	HIS	V	194
R	-	CZ	PHE	A	38	L	S	O	HIS	V	194
R	-	CZ	PHE	A	38	L	S	H	HIS	V	194
R	-	CZ	PHE	A	38	L	S	HB2	HIS	V	194
R	-	CZ	PHE	A	38	L	S	HD2	HIS	V	194
R	-	CZ	PHE	A	38	L	-	HD2	PRO	V	196
R	-	CB	SER	A	104	L	-	HE2	PHE	V	6
R	-	CB	SER	A	104	L	-	HZ	PHE	V	6
R	-	OG	SER	A	104	L	-	CE1	HIS	V	2
R	-	OG	SER	A	104	L	-	HE1	HIS	V	2
R	-	OG	SER	A	104	L	-	CE2	PHE	V	6
R	-	OG	SER	A	104	L	-	CZ	PHE	V	6
R	-	OG	SER	A	104	L	-	HE2	PHE	V	6
R	-	OG	SER	A	104	L	-	HZ	PHE	V	6
R	-	CB	ILE	A	105	L	-	NE2	HIS	V	2
R	-	CB	ILE	A	105	L	-	HE2	HIS	V	2
R	-	CG1	ILE	A	105	L	-	CD2	HIS	V	2
R	-	CG1	ILE	A	105	L	-	CE1	HIS	V	2
R	-	CG1	ILE	A	105	L	-	NE2	HIS	V	2
R	-	CG1	ILE	A	105	L	-	HD2	HIS	V	2
R	-	CG1	ILE	A	105	L	-	HE1	HIS	V	2
R	-	CG1	ILE	A	105	L	-	HE2	HIS	V	2
R	-	CG2	ILE	A	105	L	-	HE2	HIS	V	2
R	-	CD1	ILE	A	105	L	-	CD2	HIS	V	2
R	-	CD1	ILE	A	105	L	-	CE1	HIS	V	2
R	-	CD1	ILE	A	105	L	-	NE2	HIS	V	2
R	-	CD1	ILE	A	105	L	-	HD2	HIS	V	2
R	-	CD1	ILE	A	105	L	-	HE1	HIS	V	2
R	-	CD1	ILE	A	105	L	-	HE2	HIS	V	2
R	-	CB	TRP	A	158	L	-	O	LEU	V	12
R	-	CB	TRP	A	158	L	-	HA	PRO	V	13
R	-	CB	TRP	A	158	L	-	H	LEU	V	14
R	-	CB	TRP	A	158	L	-	HB3	LEU	V	14
R	-	CG	TRP	A	158	L	-	O	LEU	V	12
R	-	CG	TRP	A	158	L	-	HA	PRO	V	13
R	-	CG	TRP	A	158	L	-	H	LEU	V	14
R	-	CD1	TRP	A	158	L	H	O	LEU	V	9
R	-	CD1	TRP	A	158	L	H	HA	VAL	V	10
R	-	CD1	TRP	A	158	L	-	O	LEU	V	12
R	-	CD2	TRP	A	158	L	-	O	LEU	V	12
R	-	CD2	TRP	A	158	L	-	CA	PRO	V	13
R	-	CD2	TRP	A	158	L	-	HA	PRO	V	13
R	-	CD2	TRP	A	158	L	-	H	LEU	V	14
R	-	CE2	TRP	A	158	L	H	HA	VAL	V	10
R	-	CE2	TRP	A	158	L	-	HA	PRO	V	13
R	-	CE3	TRP	A	158	L	-	CA	PRO	V	13
R	-	CE3	TRP	A	158	L	-	CB	PRO	V	13
R	-	CE3	TRP	A	158	L	-	HA	PRO	V	13
R	-	CE3	TRP	A	158	L	-	HB3	PRO	V	13
R	-	CE3	TRP	A	158	L	-	H	LEU	V	14
R	-	NE1	TRP	A	158	L	H	O	LEU	V	9
R	-	NE1	TRP	A	158	L	H	CA	VAL	V	10
R	-	NE1	TRP	A	158	L	H	O	VAL	V	10
R	-	NE1	TRP	A	158	L	H	HA	VAL	V	10
R	-	CH2	TRP	A	158	L	-	HA	PRO	V	13
R	-	CH2	TRP	A	158	L	-	HB3	PRO	V	13
R	-	CZ2	TRP	A	158	L	-	HB3	PRO	V	13
R	-	CZ3	TRP	A	158	L	-	CA	PRO	V	13
R	-	CZ3	TRP	A	158	L	-	CB	PRO	V	13
R	-	CZ3	TRP	A	158	L	-	HA	PRO	V	13
R	-	CZ3	TRP	A	158	L	-	HB3	PRO	V	13
R	-	N	LYS	A	159	L	H	HD22	LEU	V	9
R	-	CA	LYS	A	159	L	H	HD22	LEU	V	9
R	-	C	LYS	A	159	L	H	CD2	LEU	V	9
R	-	C	LYS	A	159	L	H	HB3	LEU	V	9
R	-	C	LYS	A	159	L	H	HD12	LEU	V	9
R	-	C	LYS	A	159	L	H	HD22	LEU	V	9
R	-	CB	LYS	A	159	L	H	CD2	LEU	V	9
R	-	CB	LYS	A	159	L	H	HD12	LEU	V	9
R	-	CB	LYS	A	159	L	H	HD21	LEU	V	9
R	-	CB	LYS	A	159	L	H	HD22	LEU	V	9
R	-	CB	LYS	A	159	L	H	HD23	LEU	V	9
R	-	O	LYS	A	159	L	H	C	LEU	V	9
R	-	O	LYS	A	159	L	H	CB	LEU	V	9
R	-	O	LYS	A	159	L	H	O	LEU	V	9
R	-	O	LYS	A	159	L	H	CG	LEU	V	9
R	-	O	LYS	A	159	L	H	CD2	LEU	V	9
R	-	O	LYS	A	159	L	H	HB3	LEU	V	9
R	-	O	LYS	A	159	L	H	HD12	LEU	V	9
R	-	O	LYS	A	159	L	H	HD21	LEU	V	9
R	-	O	LYS	A	159	L	H	HD22	LEU	V	9
R	-	CG	LYS	A	159	L	H	HD22	LEU	V	9
R	-	N	PRO	A	160	L	H	HB3	LEU	V	9
R	-	N	PRO	A	160	L	H	HD12	LEU	V	9
R	-	N	PRO	A	160	L	H	HD22	LEU	V	9
R	-	CA	PRO	A	160	L	H	HD12	LEU	V	9
R	-	CB	PRO	A	160	L	H	HD12	LEU	V	9
R	-	CD	PRO	A	160	L	H	CB	LEU	V	9
R	-	CD	PRO	A	160	L	H	HB2	LEU	V	9
R	-	CD	PRO	A	160	L	H	HB3	LEU	V	9
R	-	CD	PRO	A	160	L	H	HD12	LEU	V	9
R	H	NZ	LYS	A	161	L	-	HE1	PHE	V	6
R	-	CA	HIS	A	227	L	H	CD2	LEU	V	11
R	-	CA	HIS	A	227	L	H	HD21	LEU	V	11
R	-	CA	HIS	A	227	L	H	HD22	LEU	V	11
R	-	CA	HIS	A	227	L	H	HD23	LEU	V	11
R	-	C	HIS	A	227	L	H	CD2	LEU	V	11
R	-	C	HIS	A	227	L	H	HD21	LEU	V	11
R	-	C	HIS	A	227	L	H	HD22	LEU	V	11
R	-	C	HIS	A	227	L	H	HD23	LEU	V	11
R	-	CB	HIS	A	227	L	H	CD2	LEU	V	11
R	-	CB	HIS	A	227	L	H	HD21	LEU	V	11
R	-	CB	HIS	A	227	L	H	HD22	LEU	V	11
R	-	CB	HIS	A	227	L	H	HD23	LEU	V	11
R	-	O	HIS	A	227	L	H	CD2	LEU	V	11
R	-	O	HIS	A	227	L	H	HD12	LEU	V	11
R	-	O	HIS	A	227	L	H	HD21	LEU	V	11
R	-	O	HIS	A	227	L	H	HD22	LEU	V	11
R	-	O	HIS	A	227	L	H	HD23	LEU	V	11
R	-	CG	HIS	A	227	L	H	HG11	VAL	V	10
R	-	CG	HIS	A	227	L	H	HD21	LEU	V	11
R	-	CG	HIS	A	227	L	H	HD23	LEU	V	11
R	-	CD2	HIS	A	227	L	H	HG11	VAL	V	10
R	-	CD2	HIS	A	227	L	H	HG13	VAL	V	10
R	-	NE2	HIS	A	227	L	H	HG11	VAL	V	10
R	-	NE2	HIS	A	227	L	H	HG13	VAL	V	10
R	-	N	HIS	A	228	L	H	CD2	LEU	V	11
R	-	N	HIS	A	228	L	H	HD21	LEU	V	11
R	-	N	HIS	A	228	L	H	HD22	LEU	V	11
R	-	N	HIS	A	228	L	H	HD23	LEU	V	11
R	-	CA	HIS	A	228	L	H	HD22	LEU	V	11
R	-	CB	HIS	A	228	L	H	HD22	LEU	V	11
R	-	CG	HIS	A	228	L	H	CD2	LEU	V	11
R	-	CG	HIS	A	228	L	H	HD21	LEU	V	11
R	-	CG	HIS	A	228	L	H	HD22	LEU	V	11
R	-	CD2	HIS	A	228	L	H	HD22	LEU	V	11
R	-	ND1	HIS	A	228	L	H	CB	LEU	V	11
R	-	ND1	HIS	A	228	L	H	O	LEU	V	11
R	-	ND1	HIS	A	228	L	H	CG	LEU	V	11
R	-	ND1	HIS	A	228	L	H	CD2	LEU	V	11
R	-	ND1	HIS	A	228	L	H	HA	LEU	V	11
R	-	ND1	HIS	A	228	L	H	HB3	LEU	V	11
R	-	ND1	HIS	A	228	L	H	HD13	LEU	V	11
R	-	ND1	HIS	A	228	L	H	HD21	LEU	V	11
R	-	ND1	HIS	A	228	L	H	HD22	LEU	V	11
R	-	ND1	HIS	A	228	L	H	HD23	LEU	V	11
R	-	CE1	HIS	A	228	L	H	CA	LEU	V	11
R	-	CE1	HIS	A	228	L	H	C	LEU	V	11
R	-	CE1	HIS	A	228	L	H	CB	LEU	V	11
R	-	CE1	HIS	A	228	L	H	O	LEU	V	11
R	-	CE1	HIS	A	228	L	H	CG	LEU	V	11
R	-	CE1	HIS	A	228	L	H	CD2	LEU	V	11
R	-	CE1	HIS	A	228	L	H	HA	LEU	V	11
R	-	CE1	HIS	A	228	L	H	HB3	LEU	V	11
R	-	CE1	HIS	A	228	L	H	HD21	LEU	V	11
R	-	CE1	HIS	A	228	L	H	HD22	LEU	V	11
R	-	CE1	HIS	A	228	L	-	HD2	PRO	V	13
R	-	NE2	HIS	A	228	L	H	O	LEU	V	11
R	-	NE2	HIS	A	228	L	H	HA	LEU	V	11
R	-	NE2	HIS	A	228	L	H	HB3	LEU	V	11
R	-	NE2	HIS	A	228	L	H	HD21	LEU	V	11
R	-	NE2	HIS	A	228	L	H	HD22	LEU	V	11
R	-	NE2	HIS	A	228	L	-	HG3	PRO	V	13
R	-	NE2	HIS	A	228	L	-	HD2	PRO	V	13
R	-	NE2	HIS	A	228	L	-	HD3	PRO	V	13
R	H	NH2	ARG	A	245	L	-	HA3	GLY	V	15
R	-	CB	ASN	A	266	L	-	HE21	GLN	V	7
R	-	CB	ASN	A	266	L	-	HE22	GLN	V	7
R	-	CG	ASN	A	266	L	-	NE2	GLN	V	7
R	-	CG	ASN	A	266	L	-	HE21	GLN	V	7
R	-	CG	ASN	A	266	L	-	HE22	GLN	V	7
R	-	ND2	ASN	A	266	L	-	CD	GLN	V	7
R	-	ND2	ASN	A	266	L	-	NE2	GLN	V	7
R	-	ND2	ASN	A	266	L	-	OE1	GLN	V	7
R	-	ND2	ASN	A	266	L	-	HE21	GLN	V	7
R	-	ND2	ASN	A	266	L	-	HE22	GLN	V	7
R	-	OD1	ASN	A	266	L	-	HE22	GLN	V	7
R	-	CG	ASP	A	293	L	-	NH2	ARG	V	40
R	-	CG	ASP	A	293	L	-	HH21	ARG	V	40
R	-	OD1	ASP	A	293	L	-	NH2	ARG	V	40
R	-	OD1	ASP	A	293	L	-	CZ	ARG	V	40
R	-	OD1	ASP	A	293	L	-	HH21	ARG	V	40
R	-	OD1	ASP	A	293	L	-	HH22	ARG	V	40
R	-	N	LYS	A	295	L	-	HH22	ARG	V	40
R	-	CB	LYS	A	295	L	-	HH12	ARG	V	40
R	-	CB	LYS	A	295	L	-	HH22	ARG	V	40
R	-	CG	LYS	A	295	L	-	NH2	ARG	V	40
R	-	CG	LYS	A	295	L	-	HH12	ARG	V	40
R	-	CG	LYS	A	295	L	-	HH22	ARG	V	40
R	-	CD	LYS	A	295	L	-	NH1	ARG	V	40
R	-	CD	LYS	A	295	L	-	NH2	ARG	V	40
R	-	CD	LYS	A	295	L	-	CZ	ARG	V	40
R	-	CD	LYS	A	295	L	-	HH11	ARG	V	40
R	-	CD	LYS	A	295	L	-	HH12	ARG	V	40
R	-	CD	LYS	A	295	L	-	HH22	ARG	V	40
R	-	CE	LYS	A	295	L	-	NH1	ARG	V	40
R	-	CE	LYS	A	295	L	-	NH2	ARG	V	40
R	-	CE	LYS	A	295	L	-	HH11	ARG	V	40
R	-	CE	LYS	A	295	L	-	HH12	ARG	V	40
R	-	CE	LYS	A	295	L	-	HH22	ARG	V	40
R	-	NZ	LYS	A	295	L	-	NH1	ARG	V	40
R	-	NZ	LYS	A	295	L	-	HH11	ARG	V	40
R	-	NZ	LYS	A	295	L	-	HH12	ARG	V	40
R	-	NZ	LYS	A	295	L	-	HH22	ARG	V	40
R	-	C	THR	A	309	L	-	HD23	LEU	V	3
R	-	C	THR	A	309	L	-	HE22	GLN	V	7
R	-	CB	THR	A	309	L	-	NE2	GLN	V	7
R	-	CB	THR	A	309	L	-	HE21	GLN	V	7
R	-	CB	THR	A	309	L	-	HE22	GLN	V	7
R	-	O	THR	A	309	L	-	CD2	LEU	V	3
R	-	O	THR	A	309	L	-	HD21	LEU	V	3
R	-	O	THR	A	309	L	-	HD22	LEU	V	3
R	-	O	THR	A	309	L	-	HD23	LEU	V	3
R	-	OG1	THR	A	309	L	-	NE2	GLN	V	7
R	-	OG1	THR	A	309	L	-	HE21	GLN	V	7
R	-	OG1	THR	A	309	L	-	HE22	GLN	V	7
R	-	N	ASP	A	310	L	-	HE22	GLN	V	7
R	-	CA	ASP	A	310	L	-	HE22	GLN	V	7
R	-	CB	ASP	A	310	L	-	OE1	GLN	V	7
R	-	CB	ASP	A	310	L	-	HE22	GLN	V	7
R	-	CG	ASP	A	310	L	-	HE22	GLN	V	7
R	-	OD1	ASP	A	310	L	-	HE22	GLN	V	7
R	-	CG1	VAL	A	312	L	-	HD13	LEU	V	3
R	-	CG	LYS	A	390	L	-	HB3	ALA	V	199
R	-	CD	LYS	A	390	L	-	HB3	ALA	V	199
R	-	CE	LYS	A	390	L	-	CB	ALA	V	199
R	-	CE	LYS	A	390	L	-	HB1	ALA	V	199
R	-	CE	LYS	A	390	L	-	HB3	ALA	V	199
R	-	NZ	LYS	A	390	L	-	CB	ALA	V	199
R	-	NZ	LYS	A	390	L	-	HB1	ALA	V	199
R	-	NZ	LYS	A	390	L	-	HB3	ALA	V	199
R	S	CA	TYR	A	434	L	-	HA	ALA	V	199
R	S	CB	TYR	A	434	L	-	N	ALA	V	199
R	S	CB	TYR	A	434	L	-	CA	ALA	V	199
R	S	CB	TYR	A	434	L	-	H	ALA	V	199
R	S	CB	TYR	A	434	L	-	HA	ALA	V	199
R	S	CB	TYR	A	434	L	-	HB3	ALA	V	199
R	S	CG	TYR	A	434	L	-	H	ALA	V	199
R	S	CD2	TYR	A	434	L	-	O	GLY	V	197
R	S	CD2	TYR	A	434	L	-	H	ALA	V	199
R	S	CB	CYS	A	437	L	S	CD2	HIS	V	194
R	S	CB	CYS	A	437	L	S	NE2	HIS	V	194
R	S	CB	CYS	A	437	L	S	HD2	HIS	V	194
R	S	SG	CYS	A	437	L	S	CG	HIS	V	194
R	S	SG	CYS	A	437	L	S	CD2	HIS	V	194
R	S	SG	CYS	A	437	L	S	ND1	HIS	V	194
R	S	SG	CYS	A	437	L	S	CE1	HIS	V	194
R	S	SG	CYS	A	437	L	S	NE2	HIS	V	194
R	S	SG	CYS	A	437	L	S	HD2	HIS	V	194
R	S	SG	CYS	A	437	L	S	HE1	HIS	V	194
R	-	O	LEU	A	441	L	S	HB3	HIS	V	194
R	-	CA	SER	A	442	L	S	ND1	HIS	V	194
R	-	CA	SER	A	442	L	S	HB3	HIS	V	194
R	-	CA	SER	A	442	L	S	HD1	HIS	V	194
R	-	CA	SER	A	442	L	S	HG1	THR	V	204
R	-	CA	SER	A	442	L	S	HG21	THR	V	204
R	-	C	SER	A	442	L	S	HD1	HIS	V	194
R	-	C	SER	A	442	L	S	HG1	THR	V	204
R	-	CB	SER	A	442	L	S	HB3	HIS	V	194
R	-	CB	SER	A	442	L	S	HD1	HIS	V	194
R	-	CB	SER	A	442	L	S	CG2	THR	V	204
R	-	CB	SER	A	442	L	S	HG1	THR	V	204
R	-	CB	SER	A	442	L	S	HG21	THR	V	204
R	-	CB	SER	A	442	L	S	HG22	THR	V	204
R	-	O	SER	A	442	L	S	HG1	THR	V	204
R	-	OG	SER	A	442	L	S	HG21	THR	V	204
R	-	N	CYS	A	443	L	S	ND1	HIS	V	194
R	-	N	CYS	A	443	L	S	CE1	HIS	V	194
R	-	N	CYS	A	443	L	S	HE1	HIS	V	194
R	-	N	CYS	A	443	L	S	HD1	HIS	V	194
R	-	CA	CYS	A	443	L	S	CE1	HIS	V	194
R	-	CA	CYS	A	443	L	S	HE1	HIS	V	194
R	-	C	CYS	A	443	L	S	ND1	HIS	V	194
R	-	C	CYS	A	443	L	S	CE1	HIS	V	194
R	-	C	CYS	A	443	L	S	NE2	HIS	V	194
R	-	C	CYS	A	443	L	S	HE1	HIS	V	194
R	-	C	CYS	A	443	L	S	HD1	HIS	V	194
R	-	C	CYS	A	443	L	-	HG	SER	V	202
R	-	O	CYS	A	443	L	S	CG	HIS	V	194
R	-	O	CYS	A	443	L	S	ND1	HIS	V	194
R	-	O	CYS	A	443	L	S	CE1	HIS	V	194
R	-	O	CYS	A	443	L	S	NE2	HIS	V	194
R	-	O	CYS	A	443	L	S	HE1	HIS	V	194
R	-	O	CYS	A	443	L	S	HD1	HIS	V	194
R	-	O	CYS	A	443	L	-	CB	SER	V	202
R	-	O	CYS	A	443	L	-	OG	SER	V	202
R	-	O	CYS	A	443	L	-	HB2	SER	V	202
R	-	O	CYS	A	443	L	-	HG	SER	V	202
R	-	O	CYS	A	443	L	S	OG1	THR	V	204
R	-	O	CYS	A	443	L	S	HG1	THR	V	204
R	-	SG	CYS	A	443	L	S	CE1	HIS	V	194
R	-	SG	CYS	A	443	L	S	NE2	HIS	V	194
R	-	SG	CYS	A	443	L	S	HE1	HIS	V	194
R	-	N	LYS	A	444	L	S	HE1	HIS	V	194
R	-	N	LYS	A	444	L	-	HG	SER	V	202
R	-	CA	LYS	A	444	L	S	HE1	HIS	V	194
R	-	CA	LYS	A	444	L	-	OG	SER	V	202
R	-	CA	LYS	A	444	L	-	HG	SER	V	202
R	-	C	LYS	A	444	L	-	OG	SER	V	202
R	-	C	LYS	A	444	L	-	HG	SER	V	202
R	-	CB	LYS	A	444	L	-	OG	SER	V	202
R	-	CB	LYS	A	444	L	-	HG	SER	V	202
R	-	O	LYS	A	444	L	-	HG	SER	V	202
R	-	CG	LYS	A	444	L	-	OG	SER	V	202
R	-	CG	LYS	A	444	L	-	HG	SER	V	202
R	-	N	GLU	A	445	L	-	CB	SER	V	202
R	-	N	GLU	A	445	L	-	OG	SER	V	202
R	-	N	GLU	A	445	L	-	HB3	SER	V	202
R	-	N	GLU	A	445	L	-	HG	SER	V	202
R	-	CA	GLU	A	445	L	-	OG	SER	V	202
R	-	CA	GLU	A	445	L	-	HG	SER	V	202
R	-	CB	GLU	A	445	L	-	OG	SER	V	202
R	-	CB	GLU	A	445	L	-	HG	SER	V	202
R	-	CG	GLU	A	445	L	-	O	ALA	V	199
R	-	CD	GLU	A	445	L	-	CA	ALA	V	199
R	-	CD	GLU	A	445	L	-	C	ALA	V	199
R	-	CD	GLU	A	445	L	-	O	ALA	V	199
R	-	CD	GLU	A	445	L	-	HA	ALA	V	199
R	-	CD	GLU	A	445	L	-	HA	GLN	V	200
R	-	OE1	GLU	A	445	L	-	CA	ALA	V	199
R	-	OE1	GLU	A	445	L	-	C	ALA	V	199
R	-	OE1	GLU	A	445	L	-	CB	ALA	V	199
R	-	OE1	GLU	A	445	L	-	O	ALA	V	199
R	-	OE1	GLU	A	445	L	-	HA	ALA	V	199
R	-	OE1	GLU	A	445	L	-	HB1	ALA	V	199
R	-	OE1	GLU	A	445	L	-	N	GLN	V	200
R	-	OE1	GLU	A	445	L	-	HA	GLN	V	200
R	-	OE2	GLU	A	445	L	-	N	ALA	V	199
R	-	OE2	GLU	A	445	L	-	CA	ALA	V	199
R	-	OE2	GLU	A	445	L	-	C	ALA	V	199
R	-	OE2	GLU	A	445	L	-	O	ALA	V	199
R	-	OE2	GLU	A	445	L	-	H	ALA	V	199
R	-	OE2	GLU	A	445	L	-	HA	ALA	V	199

- 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