IID

P48066_Q401N2.1 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	ILE	A	101	L	-	SER	V	286
R	H	ILE	A	263	L	-	PRO	V	410
R	H	LEU	A	266	L	-	HIS	V	406
R	H	LEU	A	266	L	-	GLY	V	407
R	H	ILE	A	267	L	-	PRO	V	410
R	H	LEU	A	269	L	-	HIS	V	406
R	H	ILE	A	270	L	-	LEU	V	216
R	H	ILE	A	270	L	-	HIS	V	406
R	H	ILE	A	270	L	-	GLY	V	407
R	H	VAL	A	273	L	-	LEU	V	178
R	H	VAL	A	273	L	-	SER	V	179
R	H	VAL	A	273	L	-	VAL	V	217
R	-	THR	A	274	L	-	LEU	V	178
R	-	THR	A	274	L	-	SER	V	179
R	-	THR	A	274	L	-	THR	V	181
R	-	THR	A	274	L	-	VAL	V	217
R	-	LEU	A	275	L	-	SER	V	179
R	-	GLY	A	277	L	-	ARG	V	119
R	H	SER	A	279	L	-	ARG	V	119
R	H	GLU	A	280	L	-	ARG	V	119
R	H	ILE	A	282	L	-	THR	V	121
R	H	ILE	A	282	L	-	LEU	V	178
R	H	LYS	A	283	L	-	ARG	V	119
R	H	LEU	A	286	L	S	ALA	V	125
R	H	LEU	A	286	L	S	LEU	V	126
R	H	LEU	A	286	L	S	TRP	V	127
R	-	TYR	A	287	L	S	TRP	V	127
R	-	TYR	A	287	L	S	VAL	V	128
R	-	TYR	A	287	L	S	ASP	V	129
R	-	TYR	A	287	L	S	TRP	V	130
R	-	TYR	A	287	L	-	GLN	V	133
R	-	PRO	A	288	L	S	TRP	V	127
R	-	PRO	A	288	L	S	VAL	V	128
R	-	ASP	A	289	L	S	TRP	V	127
R	H	TYR	A	331	L	-	SER	V	285
R	H	TYR	A	331	L	-	SER	V	286
R	H	ILE	A	335	L	-	SER	V	286
R	H	PHE	A	346	L	-	LEU	V	123
R	H	PHE	A	346	L	S	LEU	V	126
R	H	PHE	A	350	L	-	THR	V	121
R	H	PHE	A	350	L	-	LEU	V	123
R	-	PRO	A	509	L	-	SER	V	285
R	H	SER	A	510	L	H	HIS	V	276
R	H	SER	A	510	L	H	VAL	V	280
R	H	LEU	A	511	L	H	VAL	V	280
R	H	LEU	A	511	L	-	SER	V	285
R	H	TRP	A	514	L	H	SER	V	277
R	-	ILE	A	625	L	H	TRP	V	362
R	-	GLU	A	627	L	H	TRP	V	362
R	-	GLU	A	627	L	H	THR	V	365
R	-	GLU	A	627	L	H	ALA	V	366
R	-	GLU	A	629	L	H	ILE	V	369
R	-	THR	A	630	L	H	ILE	V	369
R	-	THR	A	630	L	H	VAL	V	373
R	-	HIS	A	631	L	H	LEU	V	372
R	-	HIS	A	631	L	H	VAL	V	373
R	-	HIS	A	631	L	H	VAL	V	376
R	-	PHE	A	632	L	H	VAL	V	373
R	-	PHE	A	632	L	H	VAL	V	376
R	-	PHE	A	632	L	H	GLY	V	377
R	-	PHE	A	632	L	H	CYS	V	380
R	H	GLY	A	86	L	S	LEU	V	126
R	H	LEU	A	89	L	S	LEU	V	126
R	H	ILE	A	90	L	-	ARG	V	78
R	H	VAL	A	93	L	-	ARG	V	78
R	H	ILE	A	97	L	-	LEU	V	77

- 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

P48066_Q401N2.1 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	GLY	A	86	L	S	O	LEU	V	126
R	H	C	GLY	A	86	L	S	O	LEU	V	126
R	H	O	GLY	A	86	L	S	O	LEU	V	126
R	H	O	GLY	A	86	L	S	HB3	LEU	V	126
R	H	CB	LEU	A	89	L	S	HD22	LEU	V	126
R	H	CG	LEU	A	89	L	S	HD22	LEU	V	126
R	H	CD1	LEU	A	89	L	S	CD2	LEU	V	126
R	H	CD1	LEU	A	89	L	S	HA	LEU	V	126
R	H	CD1	LEU	A	89	L	S	HB3	LEU	V	126
R	H	CD1	LEU	A	89	L	S	HD21	LEU	V	126
R	H	CD1	LEU	A	89	L	S	HD22	LEU	V	126
R	H	CB	ILE	A	90	L	-	HH12	ARG	V	78
R	H	CG1	ILE	A	90	L	-	HH11	ARG	V	78
R	H	CG1	ILE	A	90	L	-	HH12	ARG	V	78
R	H	CG2	ILE	A	90	L	-	NH1	ARG	V	78
R	H	CG2	ILE	A	90	L	-	HH11	ARG	V	78
R	H	CG2	ILE	A	90	L	-	HH12	ARG	V	78
R	H	CG2	ILE	A	90	L	-	HH22	ARG	V	78
R	H	CG1	VAL	A	93	L	-	HA	ARG	V	78
R	H	CD1	ILE	A	97	L	-	O	LEU	V	77
R	H	CD1	ILE	A	101	L	-	HG	SER	V	286
R	H	CG2	ILE	A	263	L	-	HB3	PRO	V	410
R	H	CG	LEU	A	266	L	-	HA	HIS	V	406
R	H	CG	LEU	A	266	L	-	H	GLY	V	407
R	H	CD1	LEU	A	266	L	-	CA	HIS	V	406
R	H	CD1	LEU	A	266	L	-	ND1	HIS	V	406
R	H	CD1	LEU	A	266	L	-	HA	HIS	V	406
R	H	CD1	LEU	A	266	L	-	HB3	HIS	V	406
R	H	CD1	LEU	A	266	L	-	H	GLY	V	407
R	H	CD2	LEU	A	266	L	-	HA	HIS	V	406
R	H	CD2	LEU	A	266	L	-	H	GLY	V	407
R	H	CG1	ILE	A	267	L	-	CG	PRO	V	410
R	H	CG1	ILE	A	267	L	-	HB3	PRO	V	410
R	H	CG1	ILE	A	267	L	-	HG3	PRO	V	410
R	H	CG1	ILE	A	267	L	-	HD2	PRO	V	410
R	H	CD1	ILE	A	267	L	-	CB	PRO	V	410
R	H	CD1	ILE	A	267	L	-	CG	PRO	V	410
R	H	CD1	ILE	A	267	L	-	HB3	PRO	V	410
R	H	CD1	ILE	A	267	L	-	HG3	PRO	V	410
R	H	CD1	ILE	A	267	L	-	HD2	PRO	V	410
R	H	CD2	LEU	A	269	L	-	ND1	HIS	V	406
R	H	CG1	ILE	A	270	L	-	HA3	GLY	V	407
R	H	CG2	ILE	A	270	L	-	HD23	LEU	V	216
R	H	CD1	ILE	A	270	L	-	C	HIS	V	406
R	H	CD1	ILE	A	270	L	-	N	GLY	V	407
R	H	CD1	ILE	A	270	L	-	CA	GLY	V	407
R	H	CD1	ILE	A	270	L	-	C	GLY	V	407
R	H	CD1	ILE	A	270	L	-	H	GLY	V	407
R	H	CD1	ILE	A	270	L	-	HA2	GLY	V	407
R	H	CD1	ILE	A	270	L	-	HA3	GLY	V	407
R	H	CA	VAL	A	273	L	-	CB	LEU	V	178
R	H	CA	VAL	A	273	L	-	O	LEU	V	178
R	H	CA	VAL	A	273	L	-	HB3	LEU	V	178
R	H	CA	VAL	A	273	L	-	HD23	LEU	V	178
R	H	C	VAL	A	273	L	-	C	LEU	V	178
R	H	C	VAL	A	273	L	-	O	LEU	V	178
R	H	C	VAL	A	273	L	-	HB3	LEU	V	178
R	H	CB	VAL	A	273	L	-	CB	LEU	V	178
R	H	CB	VAL	A	273	L	-	O	LEU	V	178
R	H	CB	VAL	A	273	L	-	CG	LEU	V	178
R	H	CB	VAL	A	273	L	-	CD2	LEU	V	178
R	H	CB	VAL	A	273	L	-	HA	LEU	V	178
R	H	CB	VAL	A	273	L	-	HB3	LEU	V	178
R	H	CB	VAL	A	273	L	-	HD13	LEU	V	178
R	H	CB	VAL	A	273	L	-	HD21	LEU	V	178
R	H	CB	VAL	A	273	L	-	HD23	LEU	V	178
R	H	O	VAL	A	273	L	-	CA	LEU	V	178
R	H	O	VAL	A	273	L	-	C	LEU	V	178
R	H	O	VAL	A	273	L	-	CB	LEU	V	178
R	H	O	VAL	A	273	L	-	O	LEU	V	178
R	H	O	VAL	A	273	L	-	HA	LEU	V	178
R	H	O	VAL	A	273	L	-	HB2	LEU	V	178
R	H	O	VAL	A	273	L	-	HB3	LEU	V	178
R	H	O	VAL	A	273	L	-	N	SER	V	179
R	H	O	VAL	A	273	L	-	CA	SER	V	179
R	H	O	VAL	A	273	L	-	HA	SER	V	179
R	H	CG1	VAL	A	273	L	-	CG	LEU	V	178
R	H	CG1	VAL	A	273	L	-	CD1	LEU	V	178
R	H	CG1	VAL	A	273	L	-	CD2	LEU	V	178
R	H	CG1	VAL	A	273	L	-	HB3	LEU	V	178
R	H	CG1	VAL	A	273	L	-	HD13	LEU	V	178
R	H	CG1	VAL	A	273	L	-	HD21	LEU	V	178
R	H	CG1	VAL	A	273	L	-	HD22	LEU	V	178
R	H	CG1	VAL	A	273	L	-	HD23	LEU	V	178
R	H	CG2	VAL	A	273	L	-	CD2	LEU	V	178
R	H	CG2	VAL	A	273	L	-	HA	LEU	V	178
R	H	CG2	VAL	A	273	L	-	HB3	LEU	V	178
R	H	CG2	VAL	A	273	L	-	HD21	LEU	V	178
R	H	CG2	VAL	A	273	L	-	HD23	LEU	V	178
R	H	CG2	VAL	A	273	L	-	HG23	VAL	V	217
R	-	N	THR	A	274	L	-	O	LEU	V	178
R	-	CA	THR	A	274	L	-	O	LEU	V	178
R	-	C	THR	A	274	L	-	HA	SER	V	179
R	-	CG2	THR	A	274	L	-	HG22	THR	V	181
R	-	CG2	THR	A	274	L	-	HG22	VAL	V	217
R	-	C	LEU	A	275	L	-	HA	SER	V	179
R	-	O	LEU	A	275	L	-	HA	SER	V	179
R	-	O	LEU	A	275	L	-	HB3	SER	V	179
R	-	O	GLY	A	277	L	-	HH12	ARG	V	119
R	H	CA	SER	A	279	L	-	NE	ARG	V	119
R	H	CA	SER	A	279	L	-	NH2	ARG	V	119
R	H	CA	SER	A	279	L	-	CZ	ARG	V	119
R	H	CA	SER	A	279	L	-	HH21	ARG	V	119
R	H	CA	SER	A	279	L	-	HH22	ARG	V	119
R	H	C	SER	A	279	L	-	NE	ARG	V	119
R	H	C	SER	A	279	L	-	NH1	ARG	V	119
R	H	C	SER	A	279	L	-	NH2	ARG	V	119
R	H	C	SER	A	279	L	-	CZ	ARG	V	119
R	H	C	SER	A	279	L	-	HH12	ARG	V	119
R	H	C	SER	A	279	L	-	HH21	ARG	V	119
R	H	C	SER	A	279	L	-	HH22	ARG	V	119
R	H	CB	SER	A	279	L	-	CB	ARG	V	119
R	H	CB	SER	A	279	L	-	CD	ARG	V	119
R	H	CB	SER	A	279	L	-	NE	ARG	V	119
R	H	CB	SER	A	279	L	-	NH1	ARG	V	119
R	H	CB	SER	A	279	L	-	NH2	ARG	V	119
R	H	CB	SER	A	279	L	-	CZ	ARG	V	119
R	H	CB	SER	A	279	L	-	HB2	ARG	V	119
R	H	CB	SER	A	279	L	-	HB3	ARG	V	119
R	H	CB	SER	A	279	L	-	HD3	ARG	V	119
R	H	CB	SER	A	279	L	-	HE	ARG	V	119
R	H	CB	SER	A	279	L	-	HH11	ARG	V	119
R	H	CB	SER	A	279	L	-	HH21	ARG	V	119
R	H	CB	SER	A	279	L	-	HH22	ARG	V	119
R	H	O	SER	A	279	L	-	NH2	ARG	V	119
R	H	O	SER	A	279	L	-	CZ	ARG	V	119
R	H	O	SER	A	279	L	-	HH21	ARG	V	119
R	H	O	SER	A	279	L	-	HH22	ARG	V	119
R	H	OG	SER	A	279	L	-	CB	ARG	V	119
R	H	OG	SER	A	279	L	-	CG	ARG	V	119
R	H	OG	SER	A	279	L	-	CD	ARG	V	119
R	H	OG	SER	A	279	L	-	NE	ARG	V	119
R	H	OG	SER	A	279	L	-	NH1	ARG	V	119
R	H	OG	SER	A	279	L	-	NH2	ARG	V	119
R	H	OG	SER	A	279	L	-	CZ	ARG	V	119
R	H	OG	SER	A	279	L	-	HB2	ARG	V	119
R	H	OG	SER	A	279	L	-	HB3	ARG	V	119
R	H	OG	SER	A	279	L	-	HD2	ARG	V	119
R	H	OG	SER	A	279	L	-	HD3	ARG	V	119
R	H	OG	SER	A	279	L	-	HE	ARG	V	119
R	H	OG	SER	A	279	L	-	HH11	ARG	V	119
R	H	OG	SER	A	279	L	-	HH12	ARG	V	119
R	H	OG	SER	A	279	L	-	HH21	ARG	V	119
R	H	OG	SER	A	279	L	-	HH22	ARG	V	119
R	H	N	GLU	A	280	L	-	NH1	ARG	V	119
R	H	N	GLU	A	280	L	-	NH2	ARG	V	119
R	H	N	GLU	A	280	L	-	CZ	ARG	V	119
R	H	N	GLU	A	280	L	-	HH11	ARG	V	119
R	H	N	GLU	A	280	L	-	HH12	ARG	V	119
R	H	N	GLU	A	280	L	-	HH21	ARG	V	119
R	H	N	GLU	A	280	L	-	HH22	ARG	V	119
R	H	CA	GLU	A	280	L	-	NH1	ARG	V	119
R	H	CA	GLU	A	280	L	-	NH2	ARG	V	119
R	H	CA	GLU	A	280	L	-	CZ	ARG	V	119
R	H	CA	GLU	A	280	L	-	HH12	ARG	V	119
R	H	CA	GLU	A	280	L	-	HH21	ARG	V	119
R	H	CA	GLU	A	280	L	-	HH22	ARG	V	119
R	H	C	GLU	A	280	L	-	HH22	ARG	V	119
R	H	CB	GLU	A	280	L	-	NH1	ARG	V	119
R	H	CB	GLU	A	280	L	-	NH2	ARG	V	119
R	H	CB	GLU	A	280	L	-	HH12	ARG	V	119
R	H	CB	GLU	A	280	L	-	HH22	ARG	V	119
R	H	CG	GLU	A	280	L	-	NH1	ARG	V	119
R	H	CG	GLU	A	280	L	-	NH2	ARG	V	119
R	H	CG	GLU	A	280	L	-	CZ	ARG	V	119
R	H	CG	GLU	A	280	L	-	HH11	ARG	V	119
R	H	CG	GLU	A	280	L	-	HH12	ARG	V	119
R	H	CG	GLU	A	280	L	-	HH21	ARG	V	119
R	H	CG	GLU	A	280	L	-	HH22	ARG	V	119
R	H	CD	GLU	A	280	L	-	NH1	ARG	V	119
R	H	CD	GLU	A	280	L	-	NH2	ARG	V	119
R	H	CD	GLU	A	280	L	-	CZ	ARG	V	119
R	H	CD	GLU	A	280	L	-	HH11	ARG	V	119
R	H	CD	GLU	A	280	L	-	HH12	ARG	V	119
R	H	CD	GLU	A	280	L	-	HH21	ARG	V	119
R	H	CD	GLU	A	280	L	-	HH22	ARG	V	119
R	H	OE1	GLU	A	280	L	-	NE	ARG	V	119
R	H	OE1	GLU	A	280	L	-	NH1	ARG	V	119
R	H	OE1	GLU	A	280	L	-	NH2	ARG	V	119
R	H	OE1	GLU	A	280	L	-	CZ	ARG	V	119
R	H	OE1	GLU	A	280	L	-	HE	ARG	V	119
R	H	OE1	GLU	A	280	L	-	HH11	ARG	V	119
R	H	OE1	GLU	A	280	L	-	HH12	ARG	V	119
R	H	OE1	GLU	A	280	L	-	HH21	ARG	V	119
R	H	OE1	GLU	A	280	L	-	HH22	ARG	V	119
R	H	OE2	GLU	A	280	L	-	NH2	ARG	V	119
R	H	OE2	GLU	A	280	L	-	HH12	ARG	V	119
R	H	OE2	GLU	A	280	L	-	HH21	ARG	V	119
R	H	OE2	GLU	A	280	L	-	HH22	ARG	V	119
R	H	CB	ILE	A	282	L	-	HG21	THR	V	121
R	H	CB	ILE	A	282	L	-	HD11	LEU	V	178
R	H	CG1	ILE	A	282	L	-	CD1	LEU	V	178
R	H	CG1	ILE	A	282	L	-	HD11	LEU	V	178
R	H	CG1	ILE	A	282	L	-	HD13	LEU	V	178
R	H	CG2	ILE	A	282	L	-	CG2	THR	V	121
R	H	CG2	ILE	A	282	L	-	HG21	THR	V	121
R	H	CG2	ILE	A	282	L	-	HG22	THR	V	121
R	H	CD1	ILE	A	282	L	-	HG21	THR	V	121
R	H	CD1	ILE	A	282	L	-	CG	LEU	V	178
R	H	CD1	ILE	A	282	L	-	CD1	LEU	V	178
R	H	CD1	ILE	A	282	L	-	HB2	LEU	V	178
R	H	CD1	ILE	A	282	L	-	HB3	LEU	V	178
R	H	CD1	ILE	A	282	L	-	HD11	LEU	V	178
R	H	CD1	ILE	A	282	L	-	HD12	LEU	V	178
R	H	CD1	ILE	A	282	L	-	HD13	LEU	V	178
R	H	CB	LYS	A	283	L	-	HH21	ARG	V	119
R	H	CD	LYS	A	283	L	-	HH21	ARG	V	119
R	H	O	LEU	A	286	L	S	O	LEU	V	126
R	H	O	LEU	A	286	L	S	HA	TRP	V	127
R	H	O	LEU	A	286	L	S	HD1	TRP	V	127
R	H	CD1	LEU	A	286	L	S	O	ALA	V	125
R	-	C	TYR	A	287	L	S	HD1	TRP	V	127
R	-	C	TYR	A	287	L	S	HE1	TRP	V	127
R	-	CD2	TYR	A	287	L	S	O	VAL	V	128
R	-	CD2	TYR	A	287	L	S	HD1	TRP	V	130
R	-	CE2	TYR	A	287	L	S	O	VAL	V	128
R	-	CE2	TYR	A	287	L	S	HA	ASP	V	129
R	-	CE2	TYR	A	287	L	S	H	TRP	V	130
R	-	CE2	TYR	A	287	L	S	HD1	TRP	V	130
R	-	OH	TYR	A	287	L	S	OD1	ASP	V	129
R	-	OH	TYR	A	287	L	S	HA	ASP	V	129
R	-	OH	TYR	A	287	L	S	H	TRP	V	130
R	-	OH	TYR	A	287	L	-	NE2	GLN	V	133
R	-	OH	TYR	A	287	L	-	HE22	GLN	V	133
R	-	CZ	TYR	A	287	L	S	O	VAL	V	128
R	-	CZ	TYR	A	287	L	S	HA	ASP	V	129
R	-	N	PRO	A	288	L	S	CG	TRP	V	127
R	-	N	PRO	A	288	L	S	CD1	TRP	V	127
R	-	N	PRO	A	288	L	S	NE1	TRP	V	127
R	-	N	PRO	A	288	L	S	HD1	TRP	V	127
R	-	N	PRO	A	288	L	S	HE1	TRP	V	127
R	-	CA	PRO	A	288	L	S	CD1	TRP	V	127
R	-	CA	PRO	A	288	L	S	NE1	TRP	V	127
R	-	CA	PRO	A	288	L	S	HD1	TRP	V	127
R	-	CA	PRO	A	288	L	S	HE1	TRP	V	127
R	-	C	PRO	A	288	L	S	CD1	TRP	V	127
R	-	C	PRO	A	288	L	S	NE1	TRP	V	127
R	-	C	PRO	A	288	L	S	HD1	TRP	V	127
R	-	C	PRO	A	288	L	S	HE1	TRP	V	127
R	-	CB	PRO	A	288	L	S	CB	TRP	V	127
R	-	CB	PRO	A	288	L	S	CG	TRP	V	127
R	-	CB	PRO	A	288	L	S	CD1	TRP	V	127
R	-	CB	PRO	A	288	L	S	CD2	TRP	V	127
R	-	CB	PRO	A	288	L	S	CE2	TRP	V	127
R	-	CB	PRO	A	288	L	S	NE1	TRP	V	127
R	-	CB	PRO	A	288	L	S	HB2	TRP	V	127
R	-	CB	PRO	A	288	L	S	HD1	TRP	V	127
R	-	CB	PRO	A	288	L	S	HE1	TRP	V	127
R	-	O	PRO	A	288	L	S	CD1	TRP	V	127
R	-	O	PRO	A	288	L	S	CE2	TRP	V	127
R	-	O	PRO	A	288	L	S	NE1	TRP	V	127
R	-	O	PRO	A	288	L	S	HD1	TRP	V	127
R	-	O	PRO	A	288	L	S	HE1	TRP	V	127
R	-	CG	PRO	A	288	L	S	CA	TRP	V	127
R	-	CG	PRO	A	288	L	S	CB	TRP	V	127
R	-	CG	PRO	A	288	L	S	CG	TRP	V	127
R	-	CG	PRO	A	288	L	S	CD1	TRP	V	127
R	-	CG	PRO	A	288	L	S	CD2	TRP	V	127
R	-	CG	PRO	A	288	L	S	CE2	TRP	V	127
R	-	CG	PRO	A	288	L	S	CE3	TRP	V	127
R	-	CG	PRO	A	288	L	S	NE1	TRP	V	127
R	-	CG	PRO	A	288	L	S	CZ2	TRP	V	127
R	-	CG	PRO	A	288	L	S	HA	TRP	V	127
R	-	CG	PRO	A	288	L	S	HB2	TRP	V	127
R	-	CG	PRO	A	288	L	S	HB3	TRP	V	127
R	-	CG	PRO	A	288	L	S	HD1	TRP	V	127
R	-	CG	PRO	A	288	L	S	HE1	TRP	V	127
R	-	CG	PRO	A	288	L	S	H	VAL	V	128
R	-	CD	PRO	A	288	L	S	CA	TRP	V	127
R	-	CD	PRO	A	288	L	S	CB	TRP	V	127
R	-	CD	PRO	A	288	L	S	CG	TRP	V	127
R	-	CD	PRO	A	288	L	S	CD1	TRP	V	127
R	-	CD	PRO	A	288	L	S	CD2	TRP	V	127
R	-	CD	PRO	A	288	L	S	CE2	TRP	V	127
R	-	CD	PRO	A	288	L	S	NE1	TRP	V	127
R	-	CD	PRO	A	288	L	S	HA	TRP	V	127
R	-	CD	PRO	A	288	L	S	HB2	TRP	V	127
R	-	CD	PRO	A	288	L	S	HD1	TRP	V	127
R	-	CD	PRO	A	288	L	S	HE1	TRP	V	127
R	-	CD	PRO	A	288	L	S	N	VAL	V	128
R	-	CD	PRO	A	288	L	S	O	VAL	V	128
R	-	CD	PRO	A	288	L	S	H	VAL	V	128
R	-	N	ASP	A	289	L	S	HE1	TRP	V	127
R	H	OH	TYR	A	331	L	-	O	SER	V	285
R	H	OH	TYR	A	331	L	-	HB2	SER	V	286
R	H	CG2	ILE	A	335	L	-	HB3	SER	V	286
R	H	CD1	ILE	A	335	L	-	HB2	SER	V	286
R	H	CD1	ILE	A	335	L	-	HB3	SER	V	286
R	H	CE1	PHE	A	346	L	-	O	LEU	V	123
R	H	CE2	PHE	A	346	L	S	HD21	LEU	V	126
R	H	CZ	PHE	A	346	L	-	O	LEU	V	123
R	H	CZ	PHE	A	346	L	S	HD21	LEU	V	126
R	H	CD1	PHE	A	350	L	-	HG21	THR	V	121
R	H	CE1	PHE	A	350	L	-	HG21	THR	V	121
R	H	CE1	PHE	A	350	L	-	HG23	THR	V	121
R	H	CE1	PHE	A	350	L	-	HA	LEU	V	123
R	H	CE1	PHE	A	350	L	-	HD21	LEU	V	123
R	H	CE1	PHE	A	350	L	-	HD23	LEU	V	123
R	H	CZ	PHE	A	350	L	-	HA	LEU	V	123
R	H	CZ	PHE	A	350	L	-	HD21	LEU	V	123
R	H	CZ	PHE	A	350	L	-	HD23	LEU	V	123
R	-	CB	PRO	A	509	L	-	HB3	SER	V	285
R	-	CG	PRO	A	509	L	-	O	SER	V	285
R	H	N	SER	A	510	L	H	HG12	VAL	V	280
R	H	CA	SER	A	510	L	H	HG12	VAL	V	280
R	H	C	SER	A	510	L	H	HG12	VAL	V	280
R	H	CB	SER	A	510	L	H	HE1	HIS	V	276
R	H	CB	SER	A	510	L	H	HG12	VAL	V	280
R	H	CB	SER	A	510	L	H	HG22	VAL	V	280
R	H	OG	SER	A	510	L	H	HE1	HIS	V	276
R	H	OG	SER	A	510	L	H	HG12	VAL	V	280
R	H	OG	SER	A	510	L	H	HG22	VAL	V	280
R	H	N	LEU	A	511	L	H	CG1	VAL	V	280
R	H	N	LEU	A	511	L	H	HG11	VAL	V	280
R	H	N	LEU	A	511	L	H	HG12	VAL	V	280
R	H	N	LEU	A	511	L	H	HG13	VAL	V	280
R	H	CA	LEU	A	511	L	H	HG12	VAL	V	280
R	H	CB	LEU	A	511	L	H	HG11	VAL	V	280
R	H	CB	LEU	A	511	L	-	CB	SER	V	285
R	H	CB	LEU	A	511	L	-	OG	SER	V	285
R	H	CB	LEU	A	511	L	-	HB3	SER	V	285
R	H	CB	LEU	A	511	L	-	HG	SER	V	285
R	H	CG	LEU	A	511	L	-	CB	SER	V	285
R	H	CG	LEU	A	511	L	-	OG	SER	V	285
R	H	CG	LEU	A	511	L	-	HB3	SER	V	285
R	H	CG	LEU	A	511	L	-	HG	SER	V	285
R	H	CD1	LEU	A	511	L	-	OG	SER	V	285
R	H	CD1	LEU	A	511	L	-	HG	SER	V	285
R	H	CD2	LEU	A	511	L	-	CB	SER	V	285
R	H	CD2	LEU	A	511	L	-	OG	SER	V	285
R	H	CD2	LEU	A	511	L	-	HB2	SER	V	285
R	H	CD2	LEU	A	511	L	-	HB3	SER	V	285
R	H	CD2	LEU	A	511	L	-	HG	SER	V	285
R	H	CZ2	TRP	A	514	L	H	HG	SER	V	277
R	-	CG2	ILE	A	625	L	H	HE1	TRP	V	362
R	-	CA	GLU	A	627	L	H	HE1	TRP	V	362
R	-	CB	GLU	A	627	L	H	NE1	TRP	V	362
R	-	CB	GLU	A	627	L	H	HD1	TRP	V	362
R	-	CB	GLU	A	627	L	H	HE1	TRP	V	362
R	-	CG	GLU	A	627	L	H	CD1	TRP	V	362
R	-	CG	GLU	A	627	L	H	NE1	TRP	V	362
R	-	CG	GLU	A	627	L	H	HD1	TRP	V	362
R	-	CG	GLU	A	627	L	H	HE1	TRP	V	362
R	-	CD	GLU	A	627	L	H	O	TRP	V	362
R	-	CD	GLU	A	627	L	H	CG	TRP	V	362
R	-	CD	GLU	A	627	L	H	CD1	TRP	V	362
R	-	CD	GLU	A	627	L	H	CE2	TRP	V	362
R	-	CD	GLU	A	627	L	H	NE1	TRP	V	362
R	-	CD	GLU	A	627	L	H	HA	TRP	V	362
R	-	CD	GLU	A	627	L	H	HD1	TRP	V	362
R	-	CD	GLU	A	627	L	H	HE1	TRP	V	362
R	-	CD	GLU	A	627	L	H	HB	THR	V	365
R	-	CD	GLU	A	627	L	H	HG21	THR	V	365
R	-	CD	GLU	A	627	L	H	HG23	THR	V	365
R	-	CD	GLU	A	627	L	H	H	ALA	V	366
R	-	CD	GLU	A	627	L	H	HB3	ALA	V	366
R	-	OE1	GLU	A	627	L	H	CA	TRP	V	362
R	-	OE1	GLU	A	627	L	H	C	TRP	V	362
R	-	OE1	GLU	A	627	L	H	O	TRP	V	362
R	-	OE1	GLU	A	627	L	H	CG	TRP	V	362
R	-	OE1	GLU	A	627	L	H	CD1	TRP	V	362
R	-	OE1	GLU	A	627	L	H	CD2	TRP	V	362
R	-	OE1	GLU	A	627	L	H	CE2	TRP	V	362
R	-	OE1	GLU	A	627	L	H	NE1	TRP	V	362
R	-	OE1	GLU	A	627	L	H	HA	TRP	V	362
R	-	OE1	GLU	A	627	L	H	HD1	TRP	V	362
R	-	OE1	GLU	A	627	L	H	HE1	TRP	V	362
R	-	OE1	GLU	A	627	L	H	HB	THR	V	365
R	-	OE1	GLU	A	627	L	H	N	ALA	V	366
R	-	OE1	GLU	A	627	L	H	CA	ALA	V	366
R	-	OE1	GLU	A	627	L	H	CB	ALA	V	366
R	-	OE1	GLU	A	627	L	H	H	ALA	V	366
R	-	OE1	GLU	A	627	L	H	HA	ALA	V	366
R	-	OE1	GLU	A	627	L	H	HB2	ALA	V	366
R	-	OE1	GLU	A	627	L	H	HB3	ALA	V	366
R	-	OE2	GLU	A	627	L	H	CA	TRP	V	362
R	-	OE2	GLU	A	627	L	H	O	TRP	V	362
R	-	OE2	GLU	A	627	L	H	CG	TRP	V	362
R	-	OE2	GLU	A	627	L	H	CD1	TRP	V	362
R	-	OE2	GLU	A	627	L	H	NE1	TRP	V	362
R	-	OE2	GLU	A	627	L	H	HA	TRP	V	362
R	-	OE2	GLU	A	627	L	H	HD1	TRP	V	362
R	-	OE2	GLU	A	627	L	H	HE1	TRP	V	362
R	-	OE2	GLU	A	627	L	H	CB	THR	V	365
R	-	OE2	GLU	A	627	L	H	CG2	THR	V	365
R	-	OE2	GLU	A	627	L	H	HB	THR	V	365
R	-	OE2	GLU	A	627	L	H	HG21	THR	V	365
R	-	OE2	GLU	A	627	L	H	HG23	THR	V	365
R	-	N	GLU	A	629	L	H	HD13	ILE	V	369
R	-	N	THR	A	630	L	H	CG2	ILE	V	369
R	-	N	THR	A	630	L	H	HG21	ILE	V	369
R	-	N	THR	A	630	L	H	HG22	ILE	V	369
R	-	N	THR	A	630	L	H	HG23	ILE	V	369
R	-	CA	THR	A	630	L	H	CG2	ILE	V	369
R	-	CA	THR	A	630	L	H	HG21	ILE	V	369
R	-	CA	THR	A	630	L	H	HG22	ILE	V	369
R	-	CA	THR	A	630	L	H	HG23	ILE	V	369
R	-	CA	THR	A	630	L	H	CG2	VAL	V	373
R	-	CA	THR	A	630	L	H	HG21	VAL	V	373
R	-	CA	THR	A	630	L	H	HG22	VAL	V	373
R	-	CA	THR	A	630	L	H	HG23	VAL	V	373
R	-	C	THR	A	630	L	H	CG2	VAL	V	373
R	-	C	THR	A	630	L	H	HG21	VAL	V	373
R	-	C	THR	A	630	L	H	HG22	VAL	V	373
R	-	C	THR	A	630	L	H	HG23	VAL	V	373
R	-	CB	THR	A	630	L	H	CG2	ILE	V	369
R	-	CB	THR	A	630	L	H	HG23	ILE	V	369
R	-	CB	THR	A	630	L	H	HG21	VAL	V	373
R	-	CG2	THR	A	630	L	H	CG1	ILE	V	369
R	-	CG2	THR	A	630	L	H	CG2	ILE	V	369
R	-	CG2	THR	A	630	L	H	HA	ILE	V	369
R	-	CG2	THR	A	630	L	H	HG12	ILE	V	369
R	-	CG2	THR	A	630	L	H	HG21	ILE	V	369
R	-	CG2	THR	A	630	L	H	HG22	ILE	V	369
R	-	CG2	THR	A	630	L	H	HG23	ILE	V	369
R	-	N	HIS	A	631	L	H	CB	VAL	V	373
R	-	N	HIS	A	631	L	H	CG2	VAL	V	373
R	-	N	HIS	A	631	L	H	HG13	VAL	V	373
R	-	N	HIS	A	631	L	H	HG21	VAL	V	373
R	-	N	HIS	A	631	L	H	HG22	VAL	V	373
R	-	N	HIS	A	631	L	H	HG23	VAL	V	373
R	-	CA	HIS	A	631	L	H	CG1	VAL	V	373
R	-	CA	HIS	A	631	L	H	CG2	VAL	V	373
R	-	CA	HIS	A	631	L	H	HA	VAL	V	373
R	-	CA	HIS	A	631	L	H	HG13	VAL	V	373
R	-	CA	HIS	A	631	L	H	HG21	VAL	V	373
R	-	CA	HIS	A	631	L	H	HG22	VAL	V	373
R	-	CA	HIS	A	631	L	H	HG23	VAL	V	373
R	-	C	HIS	A	631	L	H	HG13	VAL	V	373
R	-	C	HIS	A	631	L	H	HG22	VAL	V	373
R	-	CB	HIS	A	631	L	H	HG22	VAL	V	373
R	-	CG	HIS	A	631	L	H	HA	VAL	V	373
R	-	CG	HIS	A	631	L	H	HG22	VAL	V	373
R	-	CG	HIS	A	631	L	H	HG12	VAL	V	376
R	-	CG	HIS	A	631	L	H	HG23	VAL	V	376
R	-	CD2	HIS	A	631	L	H	HG22	VAL	V	373
R	-	ND1	HIS	A	631	L	H	C	LEU	V	372
R	-	ND1	HIS	A	631	L	H	O	LEU	V	372
R	-	ND1	HIS	A	631	L	H	HB3	LEU	V	372
R	-	ND1	HIS	A	631	L	H	N	VAL	V	373
R	-	ND1	HIS	A	631	L	H	CA	VAL	V	373
R	-	ND1	HIS	A	631	L	H	CG2	VAL	V	373
R	-	ND1	HIS	A	631	L	H	HA	VAL	V	373
R	-	ND1	HIS	A	631	L	H	HG21	VAL	V	373
R	-	ND1	HIS	A	631	L	H	HG22	VAL	V	373
R	-	ND1	HIS	A	631	L	H	CB	VAL	V	376
R	-	ND1	HIS	A	631	L	H	CG2	VAL	V	376
R	-	ND1	HIS	A	631	L	H	HB	VAL	V	376
R	-	ND1	HIS	A	631	L	H	HG12	VAL	V	376
R	-	ND1	HIS	A	631	L	H	HG21	VAL	V	376
R	-	ND1	HIS	A	631	L	H	HG23	VAL	V	376
R	-	CE1	HIS	A	631	L	H	C	LEU	V	372
R	-	CE1	HIS	A	631	L	H	CB	LEU	V	372
R	-	CE1	HIS	A	631	L	H	O	LEU	V	372
R	-	CE1	HIS	A	631	L	H	HB2	LEU	V	372
R	-	CE1	HIS	A	631	L	H	HB3	LEU	V	372
R	-	CE1	HIS	A	631	L	H	N	VAL	V	373
R	-	CE1	HIS	A	631	L	H	HA	VAL	V	373
R	-	CE1	HIS	A	631	L	H	HG21	VAL	V	373
R	-	CE1	HIS	A	631	L	H	HG22	VAL	V	373
R	-	CE1	HIS	A	631	L	H	CG2	VAL	V	376
R	-	CE1	HIS	A	631	L	H	HB	VAL	V	376
R	-	CE1	HIS	A	631	L	H	HG21	VAL	V	376
R	-	CE1	HIS	A	631	L	H	HG23	VAL	V	376
R	-	NE2	HIS	A	631	L	H	HB3	LEU	V	372
R	-	NE2	HIS	A	631	L	H	HG23	VAL	V	376
R	-	N	PHE	A	632	L	H	CG1	VAL	V	373
R	-	N	PHE	A	632	L	H	HG12	VAL	V	373
R	-	N	PHE	A	632	L	H	HG13	VAL	V	373
R	-	N	PHE	A	632	L	H	HG22	VAL	V	373
R	-	CA	PHE	A	632	L	H	HG13	VAL	V	373
R	-	C	PHE	A	632	L	H	CG1	VAL	V	373
R	-	C	PHE	A	632	L	H	HG11	VAL	V	373
R	-	C	PHE	A	632	L	H	HG13	VAL	V	373
R	-	O	PHE	A	632	L	H	HG13	VAL	V	373
R	-	CG	PHE	A	632	L	H	HG11	VAL	V	376
R	-	CG	PHE	A	632	L	H	HG12	VAL	V	376
R	-	CD1	PHE	A	632	L	H	CG1	VAL	V	376
R	-	CD1	PHE	A	632	L	H	HG11	VAL	V	376
R	-	CD1	PHE	A	632	L	H	HG12	VAL	V	376
R	-	CD1	PHE	A	632	L	H	SG	CYS	V	380
R	-	CD1	PHE	A	632	L	H	HG	CYS	V	380
R	-	CD2	PHE	A	632	L	H	HG12	VAL	V	376
R	-	CE1	PHE	A	632	L	H	CG1	VAL	V	376
R	-	CE1	PHE	A	632	L	H	HG11	VAL	V	376
R	-	CE1	PHE	A	632	L	H	HG12	VAL	V	376
R	-	CE1	PHE	A	632	L	H	HG13	VAL	V	376
R	-	CE1	PHE	A	632	L	H	SG	CYS	V	380
R	-	CE1	PHE	A	632	L	H	HG	CYS	V	380
R	-	CE2	PHE	A	632	L	H	HG12	VAL	V	376
R	-	CZ	PHE	A	632	L	H	CG1	VAL	V	376
R	-	CZ	PHE	A	632	L	H	HG11	VAL	V	376
R	-	CZ	PHE	A	632	L	H	HG12	VAL	V	376
R	-	CZ	PHE	A	632	L	H	HG13	VAL	V	376
R	-	CZ	PHE	A	632	L	H	HG	CYS	V	380
R	-	OXT	PHE	A	632	L	H	O	VAL	V	373
R	-	OXT	PHE	A	632	L	H	CG1	VAL	V	373
R	-	OXT	PHE	A	632	L	H	HG11	VAL	V	373
R	-	OXT	PHE	A	632	L	H	HG13	VAL	V	373
R	-	OXT	PHE	A	632	L	H	HA2	GLY	V	377
R	-	OXT	PHE	A	632	L	H	HA3	GLY	V	377

- 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