IID

P51582_O95944.1 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	LYS	A	179	L	H	LEU	V	13
R	-	GLY	A	180	L	H	LEU	V	14
R	-	THR	A	181	L	H	LEU	V	14
R	-	THR	A	181	L	-	PHE	V	16
R	-	THR	A	181	L	-	PRO	V	17
R	-	SER	A	21	L	-	MET	V	1
R	-	SER	A	21	L	H	ALA	V	2
R	-	GLU	A	22	L	H	ALA	V	2
R	-	VAL	A	23	L	H	ALA	V	2
R	-	ASP	A	26	L	H	LEU	V	6
R	-	TRP	A	28	L	H	LEU	V	9
R	-	ASP	A	30	L	H	TRP	V	214
R	-	ASP	A	30	L	H	ILE	V	218
R	H	ARG	A	318	L	H	SER	V	248
R	H	ARG	A	318	L	-	SER	V	250
R	H	ARG	A	318	L	-	SER	V	251
R	H	ARG	A	318	L	H	GLU	V	254
R	H	ASP	A	32	L	H	TRP	V	215
R	H	ASP	A	32	L	H	TRP	V	219
R	H	CYS	A	321	L	H	VAL	V	253
R	H	CYS	A	321	L	H	GLU	V	254
R	H	CYS	A	321	L	H	ILE	V	257
R	-	GLY	A	322	L	-	SER	V	251
R	-	GLY	A	322	L	H	PRO	V	252
R	-	GLY	A	322	L	H	VAL	V	253
R	-	GLY	A	322	L	H	GLU	V	254
R	-	GLY	A	323	L	-	SER	V	251
R	-	GLY	A	323	L	H	VAL	V	253
R	-	GLY	A	324	L	-	SER	V	251
R	H	PHE	A	33	L	H	ILE	V	218
R	H	PHE	A	33	L	H	THR	V	222
R	H	PHE	A	35	L	H	TRP	V	219
R	H	ILE	A	36	L	H	TRP	V	219
R	H	ILE	A	36	L	H	MET	V	223
R	H	ILE	A	36	L	H	LEU	V	226
R	H	LEU	A	37	L	H	THR	V	222
R	H	LEU	A	37	L	H	LEU	V	226
R	H	PRO	A	39	L	-	ALA	V	60
R	H	VAL	A	40	L	H	LEU	V	226
R	H	VAL	A	40	L	-	SER	V	59
R	H	VAL	A	40	L	-	ALA	V	60
R	H	VAL	A	40	L	-	LEU	V	61
R	H	SER	A	41	L	H	LEU	V	226
R	H	ALA	A	43	L	-	ALA	V	58
R	H	ALA	A	43	L	-	SER	V	59
R	H	ALA	A	43	L	-	ALA	V	60
R	H	VAL	A	44	L	H	ASP	V	230
R	H	VAL	A	44	L	H	LYS	V	233
R	H	VAL	A	44	L	-	ALA	V	58
R	H	VAL	A	44	L	-	SER	V	59
R	H	PHE	A	46	L	S	GLY	V	105
R	H	PHE	A	46	L	S	HIS	V	106
R	H	PHE	A	46	L	S	TYR	V	126
R	H	VAL	A	47	L	S	LYS	V	56
R	H	VAL	A	47	L	S	GLU	V	57
R	H	VAL	A	47	L	-	ALA	V	58
R	H	LEU	A	48	L	H	LYS	V	233
R	H	LEU	A	50	L	H	GLU	V	102
R	H	LEU	A	50	L	-	SER	V	104
R	H	LEU	A	50	L	S	GLY	V	105
R	H	LEU	A	50	L	S	TYR	V	126
R	H	GLY	A	51	L	H	GLU	V	102
R	H	ALA	A	54	L	H	GLU	V	101
R	H	PRO	A	55	L	H	GLU	V	102
R	H	TRP	A	58	L	H	GLU	V	101
R	H	TRP	A	58	L	-	PRO	V	131
R	H	PHE	A	62	L	-	PRO	V	131
R	H	PHE	A	62	L	-	ALA	V	134
R	H	PRO	A	89	L	S	HIS	V	106
R	H	PRO	A	89	L	S	TYR	V	126
R	H	ILE	A	92	L	-	GLN	V	22
R	H	TYR	A	93	L	-	GLN	V	22
R	H	ALA	A	96	L	-	GLN	V	20
R	-	ALA	A	97	L	-	GLN	V	20
R	-	HIS	A	98	L	-	GLN	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

P51582_O95944.1 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	-	N	SER	A	21	L	-	H2	MET	V	1
R	-	CA	SER	A	21	L	-	H2	MET	V	1
R	-	CA	SER	A	21	L	H	H	ALA	V	2
R	-	CB	SER	A	21	L	-	N	MET	V	1
R	-	CB	SER	A	21	L	-	H1	MET	V	1
R	-	CB	SER	A	21	L	-	H2	MET	V	1
R	-	CB	SER	A	21	L	-	H3	MET	V	1
R	-	CB	SER	A	21	L	H	N	ALA	V	2
R	-	CB	SER	A	21	L	H	CB	ALA	V	2
R	-	CB	SER	A	21	L	H	H	ALA	V	2
R	-	CB	SER	A	21	L	H	HB2	ALA	V	2
R	-	CB	SER	A	21	L	H	HB3	ALA	V	2
R	-	OG	SER	A	21	L	-	N	MET	V	1
R	-	OG	SER	A	21	L	-	HB3	MET	V	1
R	-	OG	SER	A	21	L	-	H1	MET	V	1
R	-	OG	SER	A	21	L	-	H2	MET	V	1
R	-	OG	SER	A	21	L	H	N	ALA	V	2
R	-	OG	SER	A	21	L	H	H	ALA	V	2
R	-	OG	SER	A	21	L	H	HB2	ALA	V	2
R	-	O	GLU	A	22	L	H	HB3	ALA	V	2
R	-	CA	VAL	A	23	L	H	HB1	ALA	V	2
R	-	CA	VAL	A	23	L	H	HB2	ALA	V	2
R	-	CG2	VAL	A	23	L	H	HB1	ALA	V	2
R	-	CG2	VAL	A	23	L	H	HB2	ALA	V	2
R	-	OD2	ASP	A	26	L	H	HD22	LEU	V	6
R	-	CE2	TRP	A	28	L	H	HD22	LEU	V	9
R	-	CH2	TRP	A	28	L	H	CD1	LEU	V	9
R	-	CH2	TRP	A	28	L	H	CD2	LEU	V	9
R	-	CH2	TRP	A	28	L	H	HD12	LEU	V	9
R	-	CH2	TRP	A	28	L	H	HD13	LEU	V	9
R	-	CH2	TRP	A	28	L	H	HD22	LEU	V	9
R	-	CZ2	TRP	A	28	L	H	CD1	LEU	V	9
R	-	CZ2	TRP	A	28	L	H	CD2	LEU	V	9
R	-	CZ2	TRP	A	28	L	H	HD12	LEU	V	9
R	-	CZ2	TRP	A	28	L	H	HD13	LEU	V	9
R	-	CZ2	TRP	A	28	L	H	HD22	LEU	V	9
R	-	CZ2	TRP	A	28	L	H	HD23	LEU	V	9
R	-	CZ3	TRP	A	28	L	H	HD12	LEU	V	9
R	-	CB	ASP	A	30	L	H	HH2	TRP	V	214
R	-	CG	ASP	A	30	L	H	CH2	TRP	V	214
R	-	CG	ASP	A	30	L	H	HH2	TRP	V	214
R	-	CG	ASP	A	30	L	H	CD1	ILE	V	218
R	-	CG	ASP	A	30	L	H	HG22	ILE	V	218
R	-	CG	ASP	A	30	L	H	HD13	ILE	V	218
R	-	OD1	ASP	A	30	L	H	CD1	ILE	V	218
R	-	OD1	ASP	A	30	L	H	HG22	ILE	V	218
R	-	OD1	ASP	A	30	L	H	HD13	ILE	V	218
R	-	OD2	ASP	A	30	L	H	CH2	TRP	V	214
R	-	OD2	ASP	A	30	L	H	HH2	TRP	V	214
R	-	OD2	ASP	A	30	L	H	CD1	ILE	V	218
R	-	OD2	ASP	A	30	L	H	HG13	ILE	V	218
R	-	OD2	ASP	A	30	L	H	HG22	ILE	V	218
R	-	OD2	ASP	A	30	L	H	HG23	ILE	V	218
R	-	OD2	ASP	A	30	L	H	HD11	ILE	V	218
R	-	OD2	ASP	A	30	L	H	HD12	ILE	V	218
R	-	OD2	ASP	A	30	L	H	HD13	ILE	V	218
R	H	O	ASP	A	32	L	H	HD1	TRP	V	219
R	H	CG	ASP	A	32	L	H	CG	TRP	V	215
R	H	CG	ASP	A	32	L	H	CD1	TRP	V	215
R	H	CG	ASP	A	32	L	H	CD2	TRP	V	215
R	H	CG	ASP	A	32	L	H	CE2	TRP	V	215
R	H	CG	ASP	A	32	L	H	CE3	TRP	V	215
R	H	CG	ASP	A	32	L	H	NE1	TRP	V	215
R	H	CG	ASP	A	32	L	H	CH2	TRP	V	215
R	H	CG	ASP	A	32	L	H	CZ2	TRP	V	215
R	H	CG	ASP	A	32	L	H	CZ3	TRP	V	215
R	H	CG	ASP	A	32	L	H	HB3	TRP	V	215
R	H	CG	ASP	A	32	L	H	HE1	TRP	V	215
R	H	OD1	ASP	A	32	L	H	CD2	TRP	V	215
R	H	OD1	ASP	A	32	L	H	CE2	TRP	V	215
R	H	OD1	ASP	A	32	L	H	CE3	TRP	V	215
R	H	OD1	ASP	A	32	L	H	CH2	TRP	V	215
R	H	OD1	ASP	A	32	L	H	CZ2	TRP	V	215
R	H	OD1	ASP	A	32	L	H	CZ3	TRP	V	215
R	H	OD1	ASP	A	32	L	H	HZ2	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CB	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CG	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CD1	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CD2	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CE2	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CE3	TRP	V	215
R	H	OD2	ASP	A	32	L	H	NE1	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CH2	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CZ2	TRP	V	215
R	H	OD2	ASP	A	32	L	H	CZ3	TRP	V	215
R	H	OD2	ASP	A	32	L	H	HA	TRP	V	215
R	H	OD2	ASP	A	32	L	H	HB3	TRP	V	215
R	H	OD2	ASP	A	32	L	H	HD1	TRP	V	215
R	H	OD2	ASP	A	32	L	H	HE3	TRP	V	215
R	H	OD2	ASP	A	32	L	H	HZ2	TRP	V	215
R	H	OD2	ASP	A	32	L	H	HE1	TRP	V	215
R	H	N	PHE	A	33	L	H	HG21	ILE	V	218
R	H	N	PHE	A	33	L	H	HG22	ILE	V	218
R	H	CA	PHE	A	33	L	H	HG21	ILE	V	218
R	H	CA	PHE	A	33	L	H	OG1	THR	V	222
R	H	CA	PHE	A	33	L	H	HG21	THR	V	222
R	H	C	PHE	A	33	L	H	HG21	THR	V	222
R	H	CB	PHE	A	33	L	H	CG2	ILE	V	218
R	H	CB	PHE	A	33	L	H	HG21	ILE	V	218
R	H	CB	PHE	A	33	L	H	HG22	ILE	V	218
R	H	CB	PHE	A	33	L	H	HG23	ILE	V	218
R	H	CB	PHE	A	33	L	H	CB	THR	V	222
R	H	CB	PHE	A	33	L	H	CG2	THR	V	222
R	H	CB	PHE	A	33	L	H	OG1	THR	V	222
R	H	CB	PHE	A	33	L	H	HG1	THR	V	222
R	H	CB	PHE	A	33	L	H	HG21	THR	V	222
R	H	CB	PHE	A	33	L	H	HG23	THR	V	222
R	H	O	PHE	A	33	L	H	CG2	THR	V	222
R	H	O	PHE	A	33	L	H	HG21	THR	V	222
R	H	O	PHE	A	33	L	H	HG22	THR	V	222
R	H	CG	PHE	A	33	L	H	HG21	THR	V	222
R	H	CD2	PHE	A	33	L	H	HG21	THR	V	222
R	H	C	PHE	A	35	L	H	HE1	TRP	V	219
R	H	N	ILE	A	36	L	H	HE1	TRP	V	219
R	H	CA	ILE	A	36	L	H	HE1	TRP	V	219
R	H	C	ILE	A	36	L	H	CD1	LEU	V	226
R	H	C	ILE	A	36	L	H	HD11	LEU	V	226
R	H	C	ILE	A	36	L	H	HD12	LEU	V	226
R	H	C	ILE	A	36	L	H	HD13	LEU	V	226
R	H	CB	ILE	A	36	L	H	CD1	TRP	V	219
R	H	CB	ILE	A	36	L	H	NE1	TRP	V	219
R	H	CB	ILE	A	36	L	H	HD1	TRP	V	219
R	H	CB	ILE	A	36	L	H	HE1	TRP	V	219
R	H	O	ILE	A	36	L	H	CD1	LEU	V	226
R	H	O	ILE	A	36	L	H	HD12	LEU	V	226
R	H	O	ILE	A	36	L	H	HD13	LEU	V	226
R	H	CG1	ILE	A	36	L	H	CG	TRP	V	219
R	H	CG1	ILE	A	36	L	H	CD1	TRP	V	219
R	H	CG1	ILE	A	36	L	H	CD2	TRP	V	219
R	H	CG1	ILE	A	36	L	H	CE2	TRP	V	219
R	H	CG1	ILE	A	36	L	H	NE1	TRP	V	219
R	H	CG1	ILE	A	36	L	H	CZ2	TRP	V	219
R	H	CG1	ILE	A	36	L	H	HD1	TRP	V	219
R	H	CG1	ILE	A	36	L	H	HZ2	TRP	V	219
R	H	CG1	ILE	A	36	L	H	HE1	TRP	V	219
R	H	CG2	ILE	A	36	L	H	NE1	TRP	V	219
R	H	CG2	ILE	A	36	L	H	HE1	TRP	V	219
R	H	CG2	ILE	A	36	L	H	HA	MET	V	223
R	H	CG2	ILE	A	36	L	H	HB2	MET	V	223
R	H	CG2	ILE	A	36	L	H	HG2	MET	V	223
R	H	CG2	ILE	A	36	L	H	CD1	LEU	V	226
R	H	CG2	ILE	A	36	L	H	HD11	LEU	V	226
R	H	CG2	ILE	A	36	L	H	HD12	LEU	V	226
R	H	CG2	ILE	A	36	L	H	HD13	LEU	V	226
R	H	CD1	ILE	A	36	L	H	CA	TRP	V	219
R	H	CD1	ILE	A	36	L	H	CB	TRP	V	219
R	H	CD1	ILE	A	36	L	H	O	TRP	V	219
R	H	CD1	ILE	A	36	L	H	CG	TRP	V	219
R	H	CD1	ILE	A	36	L	H	CD1	TRP	V	219
R	H	CD1	ILE	A	36	L	H	CD2	TRP	V	219
R	H	CD1	ILE	A	36	L	H	CE2	TRP	V	219
R	H	CD1	ILE	A	36	L	H	CE3	TRP	V	219
R	H	CD1	ILE	A	36	L	H	NE1	TRP	V	219
R	H	CD1	ILE	A	36	L	H	CZ2	TRP	V	219
R	H	CD1	ILE	A	36	L	H	HA	TRP	V	219
R	H	CD1	ILE	A	36	L	H	HD1	TRP	V	219
R	H	CD1	ILE	A	36	L	H	HZ2	TRP	V	219
R	H	CD1	ILE	A	36	L	H	HE1	TRP	V	219
R	H	CD1	ILE	A	36	L	H	HB2	MET	V	223
R	H	CD1	ILE	A	36	L	H	HE2	MET	V	223
R	H	N	LEU	A	37	L	H	HG21	THR	V	222
R	H	N	LEU	A	37	L	H	HG22	THR	V	222
R	H	N	LEU	A	37	L	H	CD1	LEU	V	226
R	H	N	LEU	A	37	L	H	HD11	LEU	V	226
R	H	N	LEU	A	37	L	H	HD12	LEU	V	226
R	H	N	LEU	A	37	L	H	HD13	LEU	V	226
R	H	CA	LEU	A	37	L	H	HG22	THR	V	222
R	H	CA	LEU	A	37	L	H	CD1	LEU	V	226
R	H	CA	LEU	A	37	L	H	HD11	LEU	V	226
R	H	CA	LEU	A	37	L	H	HD12	LEU	V	226
R	H	CA	LEU	A	37	L	H	HD13	LEU	V	226
R	H	CA	LEU	A	37	L	H	HD23	LEU	V	226
R	H	C	LEU	A	37	L	H	HD12	LEU	V	226
R	H	C	LEU	A	37	L	H	HD23	LEU	V	226
R	H	CB	LEU	A	37	L	H	CG2	THR	V	222
R	H	CB	LEU	A	37	L	H	HG21	THR	V	222
R	H	CB	LEU	A	37	L	H	HG22	THR	V	222
R	H	CB	LEU	A	37	L	H	HD12	LEU	V	226
R	H	CB	LEU	A	37	L	H	HD23	LEU	V	226
R	H	O	LEU	A	37	L	H	HD12	LEU	V	226
R	H	O	LEU	A	37	L	H	HD22	LEU	V	226
R	H	O	LEU	A	37	L	H	HD23	LEU	V	226
R	H	CG	LEU	A	37	L	H	HD12	LEU	V	226
R	H	CG	LEU	A	37	L	H	HD23	LEU	V	226
R	H	CD1	LEU	A	37	L	H	CG	LEU	V	226
R	H	CD1	LEU	A	37	L	H	CD2	LEU	V	226
R	H	CD1	LEU	A	37	L	H	HG	LEU	V	226
R	H	CD1	LEU	A	37	L	H	HD12	LEU	V	226
R	H	CD1	LEU	A	37	L	H	HD21	LEU	V	226
R	H	CD1	LEU	A	37	L	H	HD23	LEU	V	226
R	H	C	PRO	A	39	L	-	HB3	ALA	V	60
R	H	O	PRO	A	39	L	-	HB3	ALA	V	60
R	H	N	VAL	A	40	L	-	HB3	ALA	V	60
R	H	CA	VAL	A	40	L	-	CB	ALA	V	60
R	H	CA	VAL	A	40	L	-	H	ALA	V	60
R	H	CA	VAL	A	40	L	-	HB2	ALA	V	60
R	H	CA	VAL	A	40	L	-	HB3	ALA	V	60
R	H	C	VAL	A	40	L	-	H	ALA	V	60
R	H	CB	VAL	A	40	L	-	CB	ALA	V	60
R	H	CB	VAL	A	40	L	-	H	ALA	V	60
R	H	CB	VAL	A	40	L	-	HB2	ALA	V	60
R	H	CB	VAL	A	40	L	-	HB3	ALA	V	60
R	H	CB	VAL	A	40	L	H	HD13	LEU	V	226
R	H	CB	VAL	A	40	L	H	HD22	LEU	V	226
R	H	O	VAL	A	40	L	-	HA	SER	V	59
R	H	O	VAL	A	40	L	-	HB2	SER	V	59
R	H	O	VAL	A	40	L	-	H	ALA	V	60
R	H	CG1	VAL	A	40	L	-	HB2	SER	V	59
R	H	CG1	VAL	A	40	L	-	H	ALA	V	60
R	H	CG1	VAL	A	40	L	-	HB2	ALA	V	60
R	H	CG1	VAL	A	40	L	H	HB3	LEU	V	226
R	H	CG1	VAL	A	40	L	H	HD13	LEU	V	226
R	H	CG1	VAL	A	40	L	H	HD22	LEU	V	226
R	H	CG2	VAL	A	40	L	-	CB	ALA	V	60
R	H	CG2	VAL	A	40	L	-	H	ALA	V	60
R	H	CG2	VAL	A	40	L	-	HB1	ALA	V	60
R	H	CG2	VAL	A	40	L	-	HB2	ALA	V	60
R	H	CG2	VAL	A	40	L	-	HB3	ALA	V	60
R	H	CG2	VAL	A	40	L	-	HG	LEU	V	61
R	H	CG2	VAL	A	40	L	H	HD13	LEU	V	226
R	H	N	SER	A	41	L	H	HD22	LEU	V	226
R	H	C	ALA	A	43	L	-	HA	SER	V	59
R	H	CB	ALA	A	43	L	-	HA	SER	V	59
R	H	CB	ALA	A	43	L	-	H	ALA	V	60
R	H	O	ALA	A	43	L	-	O	ALA	V	58
R	H	N	VAL	A	44	L	-	O	ALA	V	58
R	H	N	VAL	A	44	L	-	HA	SER	V	59
R	H	CA	VAL	A	44	L	-	O	ALA	V	58
R	H	CA	VAL	A	44	L	-	HA	SER	V	59
R	H	CB	VAL	A	44	L	-	HB3	SER	V	59
R	H	CG1	VAL	A	44	L	H	NZ	LYS	V	233
R	H	CG1	VAL	A	44	L	H	HZ2	LYS	V	233
R	H	CG1	VAL	A	44	L	H	HZ3	LYS	V	233
R	H	CG2	VAL	A	44	L	-	O	ALA	V	58
R	H	CG2	VAL	A	44	L	-	CA	SER	V	59
R	H	CG2	VAL	A	44	L	-	CB	SER	V	59
R	H	CG2	VAL	A	44	L	-	HA	SER	V	59
R	H	CG2	VAL	A	44	L	-	HB2	SER	V	59
R	H	CG2	VAL	A	44	L	-	HB3	SER	V	59
R	H	CG2	VAL	A	44	L	H	OD1	ASP	V	230
R	H	CD1	PHE	A	46	L	S	ND1	HIS	V	106
R	H	CD1	PHE	A	46	L	S	CE1	HIS	V	106
R	H	CD1	PHE	A	46	L	S	HE1	HIS	V	106
R	H	CD1	PHE	A	46	L	S	HE2	TYR	V	126
R	H	CE1	PHE	A	46	L	S	CA	GLY	V	105
R	H	CE1	PHE	A	46	L	S	HA2	GLY	V	105
R	H	CE1	PHE	A	46	L	S	ND1	HIS	V	106
R	H	CE1	PHE	A	46	L	S	CE1	HIS	V	106
R	H	CE1	PHE	A	46	L	S	H	HIS	V	106
R	H	CE1	PHE	A	46	L	S	HE1	HIS	V	106
R	H	CE1	PHE	A	46	L	S	CE2	TYR	V	126
R	H	CE1	PHE	A	46	L	S	HE2	TYR	V	126
R	H	CE1	PHE	A	46	L	S	HH	TYR	V	126
R	H	CE2	PHE	A	46	L	S	OH	TYR	V	126
R	H	CE2	PHE	A	46	L	S	HE2	TYR	V	126
R	H	CE2	PHE	A	46	L	S	HH	TYR	V	126
R	H	CZ	PHE	A	46	L	S	HA2	GLY	V	105
R	H	CZ	PHE	A	46	L	S	HE1	HIS	V	106
R	H	CZ	PHE	A	46	L	S	CE2	TYR	V	126
R	H	CZ	PHE	A	46	L	S	OH	TYR	V	126
R	H	CZ	PHE	A	46	L	S	CZ	TYR	V	126
R	H	CZ	PHE	A	46	L	S	HE2	TYR	V	126
R	H	CZ	PHE	A	46	L	S	HH	TYR	V	126
R	H	CB	VAL	A	47	L	S	O	GLU	V	57
R	H	CB	VAL	A	47	L	-	HA	ALA	V	58
R	H	CG1	VAL	A	47	L	S	HE2	LYS	V	56
R	H	CG1	VAL	A	47	L	S	O	GLU	V	57
R	H	CG1	VAL	A	47	L	-	HA	ALA	V	58
R	H	CG2	VAL	A	47	L	S	C	GLU	V	57
R	H	CG2	VAL	A	47	L	S	O	GLU	V	57
R	H	CG2	VAL	A	47	L	-	O	ALA	V	58
R	H	CG2	VAL	A	47	L	-	HA	ALA	V	58
R	H	CB	LEU	A	48	L	H	HZ1	LYS	V	233
R	H	CG	LEU	A	48	L	H	NZ	LYS	V	233
R	H	CG	LEU	A	48	L	H	HZ1	LYS	V	233
R	H	CG	LEU	A	48	L	H	HZ3	LYS	V	233
R	H	CD1	LEU	A	48	L	H	CE	LYS	V	233
R	H	CD1	LEU	A	48	L	H	NZ	LYS	V	233
R	H	CD1	LEU	A	48	L	H	HE2	LYS	V	233
R	H	CD1	LEU	A	48	L	H	HE3	LYS	V	233
R	H	CD1	LEU	A	48	L	H	HZ1	LYS	V	233
R	H	CD1	LEU	A	48	L	H	HZ2	LYS	V	233
R	H	CD1	LEU	A	48	L	H	HZ3	LYS	V	233
R	H	O	LEU	A	50	L	H	HA	GLU	V	102
R	H	CG	LEU	A	50	L	-	HB2	SER	V	104
R	H	CD2	LEU	A	50	L	-	CB	SER	V	104
R	H	CD2	LEU	A	50	L	-	O	SER	V	104
R	H	CD2	LEU	A	50	L	-	HB2	SER	V	104
R	H	CD2	LEU	A	50	L	-	HB3	SER	V	104
R	H	CD2	LEU	A	50	L	S	HA2	GLY	V	105
R	H	CD2	LEU	A	50	L	S	OH	TYR	V	126
R	H	CA	GLY	A	51	L	H	HA	GLU	V	102
R	H	CA	GLY	A	51	L	H	HB2	GLU	V	102
R	H	C	GLY	A	51	L	H	HB2	GLU	V	102
R	H	O	GLY	A	51	L	H	CB	GLU	V	102
R	H	O	GLY	A	51	L	H	HB2	GLU	V	102
R	H	O	GLY	A	51	L	H	HB3	GLU	V	102
R	H	CB	ALA	A	54	L	H	HB3	GLU	V	101
R	H	O	ALA	A	54	L	H	OE2	GLU	V	101
R	H	N	PRO	A	55	L	H	HB3	GLU	V	102
R	H	CB	PRO	A	55	L	H	OE2	GLU	V	102
R	H	CB	PRO	A	55	L	H	HB3	GLU	V	102
R	H	CG	PRO	A	55	L	H	N	GLU	V	102
R	H	CG	PRO	A	55	L	H	CA	GLU	V	102
R	H	CG	PRO	A	55	L	H	CB	GLU	V	102
R	H	CG	PRO	A	55	L	H	CG	GLU	V	102
R	H	CG	PRO	A	55	L	H	CD	GLU	V	102
R	H	CG	PRO	A	55	L	H	OE2	GLU	V	102
R	H	CG	PRO	A	55	L	H	H	GLU	V	102
R	H	CG	PRO	A	55	L	H	HA	GLU	V	102
R	H	CG	PRO	A	55	L	H	HB2	GLU	V	102
R	H	CG	PRO	A	55	L	H	HB3	GLU	V	102
R	H	CD	PRO	A	55	L	H	CB	GLU	V	102
R	H	CD	PRO	A	55	L	H	HA	GLU	V	102
R	H	CD	PRO	A	55	L	H	HB3	GLU	V	102
R	H	CB	TRP	A	58	L	H	CD	GLU	V	101
R	H	CB	TRP	A	58	L	H	OE1	GLU	V	101
R	H	CB	TRP	A	58	L	H	OE2	GLU	V	101
R	H	CG	TRP	A	58	L	H	CD	GLU	V	101
R	H	CG	TRP	A	58	L	H	OE1	GLU	V	101
R	H	CD1	TRP	A	58	L	H	CD	GLU	V	101
R	H	CD1	TRP	A	58	L	H	OE1	GLU	V	101
R	H	CD1	TRP	A	58	L	H	OE2	GLU	V	101
R	H	CD1	TRP	A	58	L	-	HA	PRO	V	131
R	H	CD1	TRP	A	58	L	-	HB3	PRO	V	131
R	H	CD2	TRP	A	58	L	H	OE1	GLU	V	101
R	H	CE2	TRP	A	58	L	H	OE1	GLU	V	101
R	H	NE1	TRP	A	58	L	H	OE1	GLU	V	101
R	H	NE1	TRP	A	58	L	-	HB3	PRO	V	131
R	H	CD1	PHE	A	62	L	-	HB2	ALA	V	134
R	H	CE1	PHE	A	62	L	-	HB2	ALA	V	134
R	H	CE1	PHE	A	62	L	-	HB3	ALA	V	134
R	H	CE2	PHE	A	62	L	-	HB3	PRO	V	131
R	H	CZ	PHE	A	62	L	-	HB2	PRO	V	131
R	H	CZ	PHE	A	62	L	-	HB3	PRO	V	131
R	H	CB	PRO	A	89	L	S	HE1	HIS	V	106
R	H	CG	PRO	A	89	L	S	HE1	HIS	V	106
R	H	CG	PRO	A	89	L	S	HH	TYR	V	126
R	H	C	ILE	A	92	L	-	HE22	GLN	V	22
R	H	O	ILE	A	92	L	-	HE22	GLN	V	22
R	H	CG2	ILE	A	92	L	-	HE22	GLN	V	22
R	H	N	TYR	A	93	L	-	OE1	GLN	V	22
R	H	N	TYR	A	93	L	-	HE22	GLN	V	22
R	H	CA	TYR	A	93	L	-	CD	GLN	V	22
R	H	CA	TYR	A	93	L	-	OE1	GLN	V	22
R	H	CA	TYR	A	93	L	-	HE22	GLN	V	22
R	H	C	TYR	A	93	L	-	OE1	GLN	V	22
R	H	CB	TYR	A	93	L	-	OE1	GLN	V	22
R	H	O	TYR	A	93	L	-	OE1	GLN	V	22
R	H	CG	TYR	A	93	L	-	OE1	GLN	V	22
R	H	CD2	TYR	A	93	L	-	CB	GLN	V	22
R	H	CD2	TYR	A	93	L	-	CD	GLN	V	22
R	H	CD2	TYR	A	93	L	-	OE1	GLN	V	22
R	H	CD2	TYR	A	93	L	-	HB2	GLN	V	22
R	H	CD2	TYR	A	93	L	-	HB3	GLN	V	22
R	H	CE2	TYR	A	93	L	-	CB	GLN	V	22
R	H	CE2	TYR	A	93	L	-	OE1	GLN	V	22
R	H	CE2	TYR	A	93	L	-	HB2	GLN	V	22
R	H	CE2	TYR	A	93	L	-	HB3	GLN	V	22
R	H	N	ALA	A	96	L	-	OE1	GLN	V	20
R	H	CA	ALA	A	96	L	-	CD	GLN	V	20
R	H	CA	ALA	A	96	L	-	NE2	GLN	V	20
R	H	CA	ALA	A	96	L	-	OE1	GLN	V	20
R	H	CA	ALA	A	96	L	-	HE22	GLN	V	20
R	H	C	ALA	A	96	L	-	CB	GLN	V	20
R	H	C	ALA	A	96	L	-	CG	GLN	V	20
R	H	C	ALA	A	96	L	-	CD	GLN	V	20
R	H	C	ALA	A	96	L	-	NE2	GLN	V	20
R	H	C	ALA	A	96	L	-	OE1	GLN	V	20
R	H	C	ALA	A	96	L	-	HB2	GLN	V	20
R	H	C	ALA	A	96	L	-	HB3	GLN	V	20
R	H	C	ALA	A	96	L	-	HE22	GLN	V	20
R	H	CB	ALA	A	96	L	-	OE1	GLN	V	20
R	H	CB	ALA	A	96	L	-	HE22	GLN	V	20
R	H	O	ALA	A	96	L	-	CB	GLN	V	20
R	H	O	ALA	A	96	L	-	CG	GLN	V	20
R	H	O	ALA	A	96	L	-	CD	GLN	V	20
R	H	O	ALA	A	96	L	-	NE2	GLN	V	20
R	H	O	ALA	A	96	L	-	OE1	GLN	V	20
R	H	O	ALA	A	96	L	-	HB2	GLN	V	20
R	H	O	ALA	A	96	L	-	HB3	GLN	V	20
R	H	O	ALA	A	96	L	-	HG2	GLN	V	20
R	H	O	ALA	A	96	L	-	HG3	GLN	V	20
R	H	O	ALA	A	96	L	-	HE21	GLN	V	20
R	H	O	ALA	A	96	L	-	HE22	GLN	V	20
R	-	N	ALA	A	97	L	-	CB	GLN	V	20
R	-	N	ALA	A	97	L	-	CD	GLN	V	20
R	-	N	ALA	A	97	L	-	OE1	GLN	V	20
R	-	N	ALA	A	97	L	-	HB2	GLN	V	20
R	-	N	ALA	A	97	L	-	HB3	GLN	V	20
R	-	CA	ALA	A	97	L	-	CB	GLN	V	20
R	-	CA	ALA	A	97	L	-	CG	GLN	V	20
R	-	CA	ALA	A	97	L	-	CD	GLN	V	20
R	-	CA	ALA	A	97	L	-	OE1	GLN	V	20
R	-	CA	ALA	A	97	L	-	HB2	GLN	V	20
R	-	CA	ALA	A	97	L	-	HB3	GLN	V	20
R	-	C	ALA	A	97	L	-	OE1	GLN	V	20
R	-	C	ALA	A	97	L	-	HB2	GLN	V	20
R	-	CB	ALA	A	97	L	-	CB	GLN	V	20
R	-	CB	ALA	A	97	L	-	HB2	GLN	V	20
R	-	CB	ALA	A	97	L	-	HB3	GLN	V	20
R	-	O	ALA	A	97	L	-	HB2	GLN	V	20
R	-	N	HIS	A	98	L	-	OE1	GLN	V	20
R	-	N	HIS	A	98	L	-	HB2	GLN	V	20
R	-	CG	HIS	A	98	L	-	HG2	GLN	V	20
R	-	CD2	HIS	A	98	L	-	CG	GLN	V	20
R	-	CD2	HIS	A	98	L	-	CD	GLN	V	20
R	-	CD2	HIS	A	98	L	-	NE2	GLN	V	20
R	-	CD2	HIS	A	98	L	-	HB2	GLN	V	20
R	-	CD2	HIS	A	98	L	-	HG2	GLN	V	20
R	-	CD2	HIS	A	98	L	-	HE21	GLN	V	20
R	-	CE1	HIS	A	98	L	-	HE21	GLN	V	20
R	-	NE2	HIS	A	98	L	-	CG	GLN	V	20
R	-	NE2	HIS	A	98	L	-	CD	GLN	V	20
R	-	NE2	HIS	A	98	L	-	NE2	GLN	V	20
R	-	NE2	HIS	A	98	L	-	HG2	GLN	V	20
R	-	NE2	HIS	A	98	L	-	HE21	GLN	V	20
R	-	NE2	HIS	A	98	L	-	HE22	GLN	V	20
R	S	CG	LYS	A	179	L	H	HD13	LEU	V	13
R	S	CD	LYS	A	179	L	H	HD13	LEU	V	13
R	S	CE	LYS	A	179	L	H	CD1	LEU	V	13
R	S	CE	LYS	A	179	L	H	HD12	LEU	V	13
R	S	CE	LYS	A	179	L	H	HD13	LEU	V	13
R	S	NZ	LYS	A	179	L	H	HD12	LEU	V	13
R	S	NZ	LYS	A	179	L	H	HD13	LEU	V	13
R	-	N	GLY	A	180	L	H	CD2	LEU	V	14
R	-	N	GLY	A	180	L	H	HD21	LEU	V	14
R	-	N	GLY	A	180	L	H	HD23	LEU	V	14
R	-	CA	GLY	A	180	L	H	CG	LEU	V	14
R	-	CA	GLY	A	180	L	H	CD2	LEU	V	14
R	-	CA	GLY	A	180	L	H	HA	LEU	V	14
R	-	CA	GLY	A	180	L	H	HG	LEU	V	14
R	-	CA	GLY	A	180	L	H	HD21	LEU	V	14
R	-	CA	GLY	A	180	L	H	HD22	LEU	V	14
R	-	CA	GLY	A	180	L	H	HD23	LEU	V	14
R	-	C	GLY	A	180	L	H	CD2	LEU	V	14
R	-	C	GLY	A	180	L	H	HD21	LEU	V	14
R	-	C	GLY	A	180	L	H	HD22	LEU	V	14
R	-	C	GLY	A	180	L	H	HD23	LEU	V	14
R	-	O	GLY	A	180	L	H	HD21	LEU	V	14
R	-	O	GLY	A	180	L	H	HD23	LEU	V	14
R	-	N	THR	A	181	L	H	CD2	LEU	V	14
R	-	N	THR	A	181	L	H	HA	LEU	V	14
R	-	N	THR	A	181	L	H	HD21	LEU	V	14
R	-	N	THR	A	181	L	H	HD22	LEU	V	14
R	-	N	THR	A	181	L	H	HD23	LEU	V	14
R	-	CB	THR	A	181	L	-	HA	PRO	V	17
R	-	CG2	THR	A	181	L	H	O	LEU	V	14
R	-	CG2	THR	A	181	L	H	HA	LEU	V	14
R	-	CG2	THR	A	181	L	H	HD21	LEU	V	14
R	-	OG1	THR	A	181	L	-	O	PHE	V	16
R	-	OG1	THR	A	181	L	-	CA	PRO	V	17
R	-	OG1	THR	A	181	L	-	HA	PRO	V	17
R	H	CA	ARG	A	318	L	H	OE2	GLU	V	254
R	H	CB	ARG	A	318	L	H	OE2	GLU	V	254
R	H	O	ARG	A	318	L	-	CB	SER	V	251
R	H	O	ARG	A	318	L	-	HB2	SER	V	251
R	H	O	ARG	A	318	L	-	HB3	SER	V	251
R	H	O	ARG	A	318	L	-	HG	SER	V	251
R	H	O	ARG	A	318	L	H	OE2	GLU	V	254
R	H	CG	ARG	A	318	L	H	OE2	GLU	V	254
R	H	CD	ARG	A	318	L	-	OG	SER	V	250
R	H	CD	ARG	A	318	L	-	H	SER	V	250
R	H	CD	ARG	A	318	L	-	HG	SER	V	250
R	H	NE	ARG	A	318	L	H	O	SER	V	248
R	H	NH1	ARG	A	318	L	H	O	SER	V	248
R	H	NH1	ARG	A	318	L	-	H	SER	V	250
R	H	NH1	ARG	A	318	L	-	HB2	SER	V	250
R	H	NH1	ARG	A	318	L	-	HG	SER	V	250
R	H	NH2	ARG	A	318	L	H	O	SER	V	248
R	H	NH2	ARG	A	318	L	H	HB3	SER	V	248
R	H	CZ	ARG	A	318	L	H	O	SER	V	248
R	H	C	CYS	A	321	L	H	HB2	GLU	V	254
R	H	C	CYS	A	321	L	H	HG3	GLU	V	254
R	H	C	CYS	A	321	L	H	HD12	ILE	V	257
R	H	CB	CYS	A	321	L	H	OE1	GLU	V	254
R	H	CB	CYS	A	321	L	H	HG3	GLU	V	254
R	H	O	CYS	A	321	L	H	CG1	VAL	V	253
R	H	O	CYS	A	321	L	H	HB	VAL	V	253
R	H	O	CYS	A	321	L	H	HG11	VAL	V	253
R	H	O	CYS	A	321	L	H	HG12	VAL	V	253
R	H	O	CYS	A	321	L	H	HA	GLU	V	254
R	H	O	CYS	A	321	L	H	HB2	GLU	V	254
R	H	O	CYS	A	321	L	H	HG3	GLU	V	254
R	H	O	CYS	A	321	L	H	CD1	ILE	V	257
R	H	O	CYS	A	321	L	H	HD11	ILE	V	257
R	H	O	CYS	A	321	L	H	HD12	ILE	V	257
R	H	O	CYS	A	321	L	H	HD13	ILE	V	257
R	-	N	GLY	A	322	L	-	OG	SER	V	251
R	-	N	GLY	A	322	L	-	HB3	SER	V	251
R	-	N	GLY	A	322	L	-	HG	SER	V	251
R	-	N	GLY	A	322	L	H	HB	VAL	V	253
R	-	N	GLY	A	322	L	H	HB2	GLU	V	254
R	-	CA	GLY	A	322	L	-	CB	SER	V	251
R	-	CA	GLY	A	322	L	-	OG	SER	V	251
R	-	CA	GLY	A	322	L	-	HB2	SER	V	251
R	-	CA	GLY	A	322	L	-	HB3	SER	V	251
R	-	CA	GLY	A	322	L	-	HG	SER	V	251
R	-	CA	GLY	A	322	L	H	CB	VAL	V	253
R	-	CA	GLY	A	322	L	H	CG1	VAL	V	253
R	-	CA	GLY	A	322	L	H	HB	VAL	V	253
R	-	CA	GLY	A	322	L	H	HG11	VAL	V	253
R	-	CA	GLY	A	322	L	H	HG12	VAL	V	253
R	-	CA	GLY	A	322	L	H	N	GLU	V	254
R	-	CA	GLY	A	322	L	H	CA	GLU	V	254
R	-	CA	GLY	A	322	L	H	CB	GLU	V	254
R	-	CA	GLY	A	322	L	H	H	GLU	V	254
R	-	CA	GLY	A	322	L	H	HB2	GLU	V	254
R	-	C	GLY	A	322	L	-	CB	SER	V	251
R	-	C	GLY	A	322	L	-	OG	SER	V	251
R	-	C	GLY	A	322	L	-	HG	SER	V	251
R	-	C	GLY	A	322	L	H	CA	VAL	V	253
R	-	C	GLY	A	322	L	H	CB	VAL	V	253
R	-	C	GLY	A	322	L	H	CG1	VAL	V	253
R	-	C	GLY	A	322	L	H	CG2	VAL	V	253
R	-	C	GLY	A	322	L	H	H	VAL	V	253
R	-	C	GLY	A	322	L	H	HB	VAL	V	253
R	-	C	GLY	A	322	L	H	HG11	VAL	V	253
R	-	C	GLY	A	322	L	H	HG12	VAL	V	253
R	-	C	GLY	A	322	L	H	HG21	VAL	V	253
R	-	C	GLY	A	322	L	H	HG23	VAL	V	253
R	-	C	GLY	A	322	L	H	H	GLU	V	254
R	-	C	GLY	A	322	L	H	HB2	GLU	V	254
R	-	O	GLY	A	322	L	-	CB	SER	V	251
R	-	O	GLY	A	322	L	-	OG	SER	V	251
R	-	O	GLY	A	322	L	-	HB3	SER	V	251
R	-	O	GLY	A	322	L	-	HG	SER	V	251
R	-	O	GLY	A	322	L	H	HD3	PRO	V	252
R	-	O	GLY	A	322	L	H	N	VAL	V	253
R	-	O	GLY	A	322	L	H	CA	VAL	V	253
R	-	O	GLY	A	322	L	H	CB	VAL	V	253
R	-	O	GLY	A	322	L	H	CG1	VAL	V	253
R	-	O	GLY	A	322	L	H	CG2	VAL	V	253
R	-	O	GLY	A	322	L	H	H	VAL	V	253
R	-	O	GLY	A	322	L	H	HB	VAL	V	253
R	-	O	GLY	A	322	L	H	HG11	VAL	V	253
R	-	O	GLY	A	322	L	H	HG12	VAL	V	253
R	-	O	GLY	A	322	L	H	HG21	VAL	V	253
R	-	O	GLY	A	322	L	H	HG22	VAL	V	253
R	-	O	GLY	A	322	L	H	HG23	VAL	V	253
R	-	O	GLY	A	322	L	H	N	GLU	V	254
R	-	O	GLY	A	322	L	H	H	GLU	V	254
R	-	N	GLY	A	323	L	-	OG	SER	V	251
R	-	N	GLY	A	323	L	-	HG	SER	V	251
R	-	N	GLY	A	323	L	H	CB	VAL	V	253
R	-	N	GLY	A	323	L	H	CG1	VAL	V	253
R	-	N	GLY	A	323	L	H	CG2	VAL	V	253
R	-	N	GLY	A	323	L	H	HB	VAL	V	253
R	-	N	GLY	A	323	L	H	HG11	VAL	V	253
R	-	N	GLY	A	323	L	H	HG12	VAL	V	253
R	-	N	GLY	A	323	L	H	HG23	VAL	V	253
R	-	CA	GLY	A	323	L	H	CB	VAL	V	253
R	-	CA	GLY	A	323	L	H	CG1	VAL	V	253
R	-	CA	GLY	A	323	L	H	CG2	VAL	V	253
R	-	CA	GLY	A	323	L	H	HB	VAL	V	253
R	-	CA	GLY	A	323	L	H	HG12	VAL	V	253
R	-	CA	GLY	A	323	L	H	HG23	VAL	V	253
R	-	C	GLY	A	323	L	H	HG23	VAL	V	253
R	-	O	GLY	A	323	L	H	HG23	VAL	V	253
R	-	N	GLY	A	324	L	-	HG	SER	V	251

- 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