IID

P58181_A6ND48.1 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	100	L	H	LEU	V	41
R	H	TYR	A	102	L	H	THR	V	48
R	H	TYR	A	102	L	H	LEU	V	49
R	H	PHE	A	103	L	H	LEU	V	41
R	H	PHE	A	103	L	H	ILE	V	44
R	H	PHE	A	103	L	H	ALA	V	45
R	H	PHE	A	103	L	H	THR	V	48
R	H	THR	A	157	L	H	LEU	V	49
R	H	THR	A	161	L	H	LEU	V	309
R	H	PHE	A	164	L	H	ILE	V	306
R	H	PHE	A	164	L	-	GLN	V	310
R	H	SER	A	165	L	H	LEU	V	309
R	H	SER	A	165	L	-	GLN	V	310
R	-	PHE	A	166	L	-	GLN	V	310
R	H	VAL	A	25	L	H	ARG	V	81
R	H	VAL	A	25	L	H	THR	V	85
R	H	PHE	A	28	L	H	PRO	V	77
R	H	PHE	A	28	L	H	LYS	V	78
R	H	PHE	A	28	L	H	ARG	V	81
R	H	GLY	A	29	L	H	ARG	V	81
R	H	HIS	A	312	L	H	VAL	V	156
R	H	HIS	A	312	L	H	ASN	V	160
R	H	LEU	A	32	L	H	LYS	V	78
R	H	TYR	A	35	L	H	CYS	V	70
R	H	VAL	A	36	L	H	PHE	V	101
R	H	VAL	A	36	L	H	ALA	V	97
R	H	LEU	A	39	L	H	PHE	V	101
R	H	LEU	A	39	L	H	PHE	V	105
R	H	MET	A	40	L	H	PHE	V	101
R	H	ALA	A	43	L	H	LEU	V	148
R	H	THR	A	46	L	H	LEU	V	148
R	H	VAL	A	47	L	H	LEU	V	148
R	H	SER	A	50	L	H	VAL	V	144
R	H	SER	A	50	L	H	LEU	V	148
R	H	LEU	A	51	L	H	LEU	V	148
R	H	VAL	A	68	L	H	TYR	V	140
R	H	PRO	A	79	L	H	TYR	V	33
R	H	PRO	A	79	L	H	SER	V	73
R	H	PRO	A	79	L	H	PRO	V	77
R	-	CYS	A	8	L	-	GLN	V	310
R	H	GLU	A	80	L	H	TYR	V	33
R	H	GLU	A	80	L	H	LEU	V	34
R	H	GLU	A	80	L	H	LEU	V	37
R	H	LEU	A	82	L	H	PRO	V	77
R	H	VAL	A	83	L	H	LEU	V	30
R	H	VAL	A	83	L	H	TYR	V	33
R	H	VAL	A	83	L	H	PRO	V	77
R	H	SER	A	86	L	H	PRO	V	77
R	H	SER	A	86	L	H	ILE	V	80
R	H	SER	A	86	L	H	ARG	V	81
R	H	SER	A	86	L	H	LEU	V	84
R	-	THR	A	87	L	H	LEU	V	30
R	-	THR	A	87	L	H	ILE	V	80
R	-	THR	A	87	L	H	LEU	V	84
R	-	GLU	A	88	L	H	LEU	V	84
R	-	LYS	A	89	L	H	LEU	V	30
R	S	THR	A	90	L	H	LEU	V	30
R	S	THR	A	90	L	H	LEU	V	34
R	S	MET	A	91	L	H	LEU	V	34
R	S	ILE	A	92	L	H	LEU	V	34
R	S	ILE	A	92	L	H	LEU	V	37
R	S	SER	A	93	L	H	VAL	V	38
R	H	PHE	A	94	L	H	ILE	V	306
R	H	PHE	A	94	L	-	GLN	V	310
R	H	VAL	A	95	L	H	PHE	V	303
R	H	VAL	A	95	L	H	VAL	V	38
R	H	VAL	A	95	L	H	LEU	V	42
R	H	GLY	A	96	L	H	VAL	V	38
R	H	GLY	A	96	L	H	LEU	V	41
R	H	PHE	A	98	L	H	LEU	V	49
R	H	ALA	A	99	L	H	LEU	V	41
R	H	ALA	A	99	L	H	ALA	V	45

- 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

P58181_A6ND48.1 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	-	SG	CYS	A	8	L	-	OE1	GLN	V	310
R	-	SG	CYS	A	8	L	-	HE22	GLN	V	310
R	H	CA	VAL	A	25	L	H	HD2	ARG	V	81
R	H	O	VAL	A	25	L	H	HH11	ARG	V	81
R	H	CG1	VAL	A	25	L	H	HD2	ARG	V	81
R	H	CG2	VAL	A	25	L	H	CG2	THR	V	85
R	H	CG2	VAL	A	25	L	H	HG21	THR	V	85
R	H	CG2	VAL	A	25	L	H	HG23	THR	V	85
R	H	CB	PHE	A	28	L	H	NH1	ARG	V	81
R	H	CB	PHE	A	28	L	H	HD2	ARG	V	81
R	H	CB	PHE	A	28	L	H	HD3	ARG	V	81
R	H	CB	PHE	A	28	L	H	HH11	ARG	V	81
R	H	CG	PHE	A	28	L	H	CD	ARG	V	81
R	H	CG	PHE	A	28	L	H	NH1	ARG	V	81
R	H	CG	PHE	A	28	L	H	HD2	ARG	V	81
R	H	CG	PHE	A	28	L	H	HD3	ARG	V	81
R	H	CG	PHE	A	28	L	H	HH11	ARG	V	81
R	H	CG	PHE	A	28	L	H	HH12	ARG	V	81
R	H	CD1	PHE	A	28	L	H	CD	ARG	V	81
R	H	CD1	PHE	A	28	L	H	NE	ARG	V	81
R	H	CD1	PHE	A	28	L	H	NH1	ARG	V	81
R	H	CD1	PHE	A	28	L	H	CZ	ARG	V	81
R	H	CD1	PHE	A	28	L	H	HD2	ARG	V	81
R	H	CD1	PHE	A	28	L	H	HD3	ARG	V	81
R	H	CD1	PHE	A	28	L	H	HH11	ARG	V	81
R	H	CD1	PHE	A	28	L	H	HH12	ARG	V	81
R	H	CD2	PHE	A	28	L	H	HD3	ARG	V	81
R	H	CD2	PHE	A	28	L	H	HH11	ARG	V	81
R	H	CE1	PHE	A	28	L	H	HA	LYS	V	78
R	H	CE1	PHE	A	28	L	H	HB2	LYS	V	78
R	H	CE1	PHE	A	28	L	H	HG3	LYS	V	78
R	H	CE1	PHE	A	28	L	H	NE	ARG	V	81
R	H	CE1	PHE	A	28	L	H	NH1	ARG	V	81
R	H	CE1	PHE	A	28	L	H	NH2	ARG	V	81
R	H	CE1	PHE	A	28	L	H	CZ	ARG	V	81
R	H	CE1	PHE	A	28	L	H	HD3	ARG	V	81
R	H	CE1	PHE	A	28	L	H	HH11	ARG	V	81
R	H	CE1	PHE	A	28	L	H	HH12	ARG	V	81
R	H	CE2	PHE	A	28	L	H	HB2	PRO	V	77
R	H	CE2	PHE	A	28	L	H	HB3	PRO	V	77
R	H	CE2	PHE	A	28	L	H	HA	LYS	V	78
R	H	CE2	PHE	A	28	L	H	HD3	ARG	V	81
R	H	CE2	PHE	A	28	L	H	HH11	ARG	V	81
R	H	CZ	PHE	A	28	L	H	HB3	PRO	V	77
R	H	CZ	PHE	A	28	L	H	CA	LYS	V	78
R	H	CZ	PHE	A	28	L	H	CB	LYS	V	78
R	H	CZ	PHE	A	28	L	H	HA	LYS	V	78
R	H	CZ	PHE	A	28	L	H	HB2	LYS	V	78
R	H	CZ	PHE	A	28	L	H	HG3	LYS	V	78
R	H	CZ	PHE	A	28	L	H	NH1	ARG	V	81
R	H	CZ	PHE	A	28	L	H	HD3	ARG	V	81
R	H	CZ	PHE	A	28	L	H	HH11	ARG	V	81
R	H	N	GLY	A	29	L	H	HH11	ARG	V	81
R	H	N	GLY	A	29	L	H	HH12	ARG	V	81
R	H	CD2	LEU	A	32	L	H	HD2	LYS	V	78
R	H	CD2	LEU	A	32	L	H	HZ3	LYS	V	78
R	H	OH	TYR	A	35	L	H	HA	CYS	V	70
R	H	N	VAL	A	36	L	H	HE2	PHE	V	101
R	H	CA	VAL	A	36	L	H	CE2	PHE	V	101
R	H	CA	VAL	A	36	L	H	CZ	PHE	V	101
R	H	CA	VAL	A	36	L	H	HE2	PHE	V	101
R	H	CA	VAL	A	36	L	H	HZ	PHE	V	101
R	H	C	VAL	A	36	L	H	HE2	PHE	V	101
R	H	C	VAL	A	36	L	H	HZ	PHE	V	101
R	H	CB	VAL	A	36	L	H	HB1	ALA	V	97
R	H	CB	VAL	A	36	L	H	HB3	ALA	V	97
R	H	CB	VAL	A	36	L	H	CE2	PHE	V	101
R	H	CB	VAL	A	36	L	H	CZ	PHE	V	101
R	H	CB	VAL	A	36	L	H	HE2	PHE	V	101
R	H	CB	VAL	A	36	L	H	HZ	PHE	V	101
R	H	O	VAL	A	36	L	H	CZ	PHE	V	101
R	H	O	VAL	A	36	L	H	HZ	PHE	V	101
R	H	CG1	VAL	A	36	L	H	CB	ALA	V	97
R	H	CG1	VAL	A	36	L	H	HA	ALA	V	97
R	H	CG1	VAL	A	36	L	H	HB1	ALA	V	97
R	H	CG1	VAL	A	36	L	H	HB3	ALA	V	97
R	H	CG1	VAL	A	36	L	H	CE2	PHE	V	101
R	H	CG1	VAL	A	36	L	H	CZ	PHE	V	101
R	H	CG1	VAL	A	36	L	H	HE2	PHE	V	101
R	H	CG1	VAL	A	36	L	H	HZ	PHE	V	101
R	H	CG2	VAL	A	36	L	H	CB	ALA	V	97
R	H	CG2	VAL	A	36	L	H	HB1	ALA	V	97
R	H	CG2	VAL	A	36	L	H	HB2	ALA	V	97
R	H	CG2	VAL	A	36	L	H	HB3	ALA	V	97
R	H	CG2	VAL	A	36	L	H	CD2	PHE	V	101
R	H	CG2	VAL	A	36	L	H	CE2	PHE	V	101
R	H	CG2	VAL	A	36	L	H	CZ	PHE	V	101
R	H	CG2	VAL	A	36	L	H	HD2	PHE	V	101
R	H	CG2	VAL	A	36	L	H	HE2	PHE	V	101
R	H	CG2	VAL	A	36	L	H	HZ	PHE	V	101
R	H	CB	LEU	A	39	L	H	CZ	PHE	V	101
R	H	CB	LEU	A	39	L	H	HE1	PHE	V	101
R	H	CB	LEU	A	39	L	H	HZ	PHE	V	101
R	H	CD1	LEU	A	39	L	H	CE1	PHE	V	101
R	H	CD1	LEU	A	39	L	H	CZ	PHE	V	101
R	H	CD1	LEU	A	39	L	H	HE1	PHE	V	101
R	H	CD1	LEU	A	39	L	H	HZ	PHE	V	101
R	H	CD1	LEU	A	39	L	H	HZ	PHE	V	105
R	H	N	MET	A	40	L	H	HZ	PHE	V	101
R	H	O	ALA	A	43	L	H	HD21	LEU	V	148
R	H	O	ALA	A	43	L	H	HD23	LEU	V	148
R	H	C	THR	A	46	L	H	HD23	LEU	V	148
R	H	O	THR	A	46	L	H	HD12	LEU	V	148
R	H	CG2	THR	A	46	L	H	HD23	LEU	V	148
R	H	N	VAL	A	47	L	H	CD2	LEU	V	148
R	H	N	VAL	A	47	L	H	HD12	LEU	V	148
R	H	N	VAL	A	47	L	H	HD22	LEU	V	148
R	H	N	VAL	A	47	L	H	HD23	LEU	V	148
R	H	CA	VAL	A	47	L	H	CD1	LEU	V	148
R	H	CA	VAL	A	47	L	H	CD2	LEU	V	148
R	H	CA	VAL	A	47	L	H	HD12	LEU	V	148
R	H	CA	VAL	A	47	L	H	HD13	LEU	V	148
R	H	CA	VAL	A	47	L	H	HD22	LEU	V	148
R	H	CA	VAL	A	47	L	H	HD23	LEU	V	148
R	H	CB	VAL	A	47	L	H	CG	LEU	V	148
R	H	CB	VAL	A	47	L	H	CD1	LEU	V	148
R	H	CB	VAL	A	47	L	H	CD2	LEU	V	148
R	H	CB	VAL	A	47	L	H	HD13	LEU	V	148
R	H	CB	VAL	A	47	L	H	HD21	LEU	V	148
R	H	CB	VAL	A	47	L	H	HD22	LEU	V	148
R	H	CB	VAL	A	47	L	H	HD23	LEU	V	148
R	H	O	VAL	A	47	L	H	HD13	LEU	V	148
R	H	CG1	VAL	A	47	L	H	CD2	LEU	V	148
R	H	CG1	VAL	A	47	L	H	HB3	LEU	V	148
R	H	CG1	VAL	A	47	L	H	HD13	LEU	V	148
R	H	CG1	VAL	A	47	L	H	HD22	LEU	V	148
R	H	CG1	VAL	A	47	L	H	HD23	LEU	V	148
R	H	CG2	VAL	A	47	L	H	CB	LEU	V	148
R	H	CG2	VAL	A	47	L	H	CG	LEU	V	148
R	H	CG2	VAL	A	47	L	H	CD1	LEU	V	148
R	H	CG2	VAL	A	47	L	H	CD2	LEU	V	148
R	H	CG2	VAL	A	47	L	H	HA	LEU	V	148
R	H	CG2	VAL	A	47	L	H	HB3	LEU	V	148
R	H	CG2	VAL	A	47	L	H	HG	LEU	V	148
R	H	CG2	VAL	A	47	L	H	HD12	LEU	V	148
R	H	CG2	VAL	A	47	L	H	HD13	LEU	V	148
R	H	CG2	VAL	A	47	L	H	HD21	LEU	V	148
R	H	CG2	VAL	A	47	L	H	HD22	LEU	V	148
R	H	CG2	VAL	A	47	L	H	HD23	LEU	V	148
R	H	CB	SER	A	50	L	H	HD12	LEU	V	148
R	H	OG	SER	A	50	L	H	HG13	VAL	V	144
R	H	OG	SER	A	50	L	H	HD12	LEU	V	148
R	H	CG	LEU	A	51	L	H	HD13	LEU	V	148
R	H	CG2	VAL	A	68	L	H	HH	TYR	V	140
R	H	CA	PRO	A	79	L	H	OH	TYR	V	33
R	H	CA	PRO	A	79	L	H	HH	TYR	V	33
R	H	CA	PRO	A	79	L	H	CB	SER	V	73
R	H	CA	PRO	A	79	L	H	OG	SER	V	73
R	H	CA	PRO	A	79	L	H	HB3	SER	V	73
R	H	C	PRO	A	79	L	H	OH	TYR	V	33
R	H	C	PRO	A	79	L	H	HH	TYR	V	33
R	H	CB	PRO	A	79	L	H	OH	TYR	V	33
R	H	CB	PRO	A	79	L	H	HH	TYR	V	33
R	H	CB	PRO	A	79	L	H	CB	SER	V	73
R	H	CB	PRO	A	79	L	H	OG	SER	V	73
R	H	CB	PRO	A	79	L	H	HB2	SER	V	73
R	H	CB	PRO	A	79	L	H	HB3	SER	V	73
R	H	CB	PRO	A	79	L	H	HG	SER	V	73
R	H	O	PRO	A	79	L	H	OH	TYR	V	33
R	H	O	PRO	A	79	L	H	CZ	TYR	V	33
R	H	O	PRO	A	79	L	H	HH	TYR	V	33
R	H	O	PRO	A	79	L	H	HG2	PRO	V	77
R	H	CG	PRO	A	79	L	H	CB	SER	V	73
R	H	CG	PRO	A	79	L	H	OG	SER	V	73
R	H	CG	PRO	A	79	L	H	HB2	SER	V	73
R	H	CG	PRO	A	79	L	H	HB3	SER	V	73
R	H	CG	PRO	A	79	L	H	HG	SER	V	73
R	H	N	GLU	A	80	L	H	OH	TYR	V	33
R	H	N	GLU	A	80	L	H	HH	TYR	V	33
R	H	CA	GLU	A	80	L	H	OH	TYR	V	33
R	H	CA	GLU	A	80	L	H	HH	TYR	V	33
R	H	CG	GLU	A	80	L	H	HD22	LEU	V	37
R	H	CD	GLU	A	80	L	H	HE1	TYR	V	33
R	H	CD	GLU	A	80	L	H	CD2	LEU	V	37
R	H	CD	GLU	A	80	L	H	HD21	LEU	V	37
R	H	CD	GLU	A	80	L	H	HD22	LEU	V	37
R	H	CD	GLU	A	80	L	H	HD23	LEU	V	37
R	H	OE1	GLU	A	80	L	H	HE1	TYR	V	33
R	H	OE1	GLU	A	80	L	H	HD23	LEU	V	34
R	H	OE1	GLU	A	80	L	H	CD2	LEU	V	37
R	H	OE1	GLU	A	80	L	H	HD21	LEU	V	37
R	H	OE1	GLU	A	80	L	H	HD22	LEU	V	37
R	H	OE1	GLU	A	80	L	H	HD23	LEU	V	37
R	H	OE2	GLU	A	80	L	H	HE1	TYR	V	33
R	H	OE2	GLU	A	80	L	H	CG	LEU	V	37
R	H	OE2	GLU	A	80	L	H	CD1	LEU	V	37
R	H	OE2	GLU	A	80	L	H	CD2	LEU	V	37
R	H	OE2	GLU	A	80	L	H	HD12	LEU	V	37
R	H	OE2	GLU	A	80	L	H	HD13	LEU	V	37
R	H	OE2	GLU	A	80	L	H	HD21	LEU	V	37
R	H	OE2	GLU	A	80	L	H	HD22	LEU	V	37
R	H	OE2	GLU	A	80	L	H	HD23	LEU	V	37
R	H	C	LEU	A	82	L	H	HB2	PRO	V	77
R	H	O	LEU	A	82	L	H	HB2	PRO	V	77
R	H	N	VAL	A	83	L	H	HB2	PRO	V	77
R	H	CA	VAL	A	83	L	H	HB2	PRO	V	77
R	H	CA	VAL	A	83	L	H	HG3	PRO	V	77
R	H	CB	VAL	A	83	L	H	CD1	TYR	V	33
R	H	CB	VAL	A	83	L	H	CE1	TYR	V	33
R	H	CB	VAL	A	83	L	H	OH	TYR	V	33
R	H	CB	VAL	A	83	L	H	CZ	TYR	V	33
R	H	CB	VAL	A	83	L	H	HD1	TYR	V	33
R	H	CB	VAL	A	83	L	H	HE1	TYR	V	33
R	H	CB	VAL	A	83	L	H	HH	TYR	V	33
R	H	CB	VAL	A	83	L	H	HB2	PRO	V	77
R	H	CB	VAL	A	83	L	H	HG3	PRO	V	77
R	H	CG1	VAL	A	83	L	H	CD1	LEU	V	30
R	H	CG1	VAL	A	83	L	H	HD11	LEU	V	30
R	H	CG1	VAL	A	83	L	H	HD12	LEU	V	30
R	H	CG1	VAL	A	83	L	H	HD13	LEU	V	30
R	H	CG1	VAL	A	83	L	H	CD1	TYR	V	33
R	H	CG1	VAL	A	83	L	H	CE1	TYR	V	33
R	H	CG1	VAL	A	83	L	H	HD1	TYR	V	33
R	H	CG1	VAL	A	83	L	H	HE1	TYR	V	33
R	H	CG2	VAL	A	83	L	H	CG	TYR	V	33
R	H	CG2	VAL	A	83	L	H	CD1	TYR	V	33
R	H	CG2	VAL	A	83	L	H	CD2	TYR	V	33
R	H	CG2	VAL	A	83	L	H	CE1	TYR	V	33
R	H	CG2	VAL	A	83	L	H	CE2	TYR	V	33
R	H	CG2	VAL	A	83	L	H	OH	TYR	V	33
R	H	CG2	VAL	A	83	L	H	CZ	TYR	V	33
R	H	CG2	VAL	A	83	L	H	HD1	TYR	V	33
R	H	CG2	VAL	A	83	L	H	HE1	TYR	V	33
R	H	CG2	VAL	A	83	L	H	HE2	TYR	V	33
R	H	CG2	VAL	A	83	L	H	HH	TYR	V	33
R	H	CG2	VAL	A	83	L	H	CB	PRO	V	77
R	H	CG2	VAL	A	83	L	H	CG	PRO	V	77
R	H	CG2	VAL	A	83	L	H	HB2	PRO	V	77
R	H	CG2	VAL	A	83	L	H	HG2	PRO	V	77
R	H	CG2	VAL	A	83	L	H	HG3	PRO	V	77
R	H	CA	SER	A	86	L	H	CB	ARG	V	81
R	H	CA	SER	A	86	L	H	HA	ARG	V	81
R	H	CA	SER	A	86	L	H	HB3	ARG	V	81
R	H	CA	SER	A	86	L	H	HG3	ARG	V	81
R	H	C	SER	A	86	L	H	HG21	ILE	V	80
R	H	C	SER	A	86	L	H	HA	ARG	V	81
R	H	C	SER	A	86	L	H	HB3	ARG	V	81
R	H	C	SER	A	86	L	H	HD11	LEU	V	84
R	H	CB	SER	A	86	L	H	O	PRO	V	77
R	H	CB	SER	A	86	L	H	HB2	PRO	V	77
R	H	CB	SER	A	86	L	H	HB	ILE	V	80
R	H	CB	SER	A	86	L	H	N	ARG	V	81
R	H	CB	SER	A	86	L	H	CA	ARG	V	81
R	H	CB	SER	A	86	L	H	CB	ARG	V	81
R	H	CB	SER	A	86	L	H	H	ARG	V	81
R	H	CB	SER	A	86	L	H	HA	ARG	V	81
R	H	CB	SER	A	86	L	H	HB3	ARG	V	81
R	H	CB	SER	A	86	L	H	HG3	ARG	V	81
R	H	CB	SER	A	86	L	H	HD3	ARG	V	81
R	H	O	SER	A	86	L	H	CG2	ILE	V	80
R	H	O	SER	A	86	L	H	HG21	ILE	V	80
R	H	O	SER	A	86	L	H	HG22	ILE	V	80
R	H	O	SER	A	86	L	H	N	ARG	V	81
R	H	O	SER	A	86	L	H	CA	ARG	V	81
R	H	O	SER	A	86	L	H	CB	ARG	V	81
R	H	O	SER	A	86	L	H	HA	ARG	V	81
R	H	O	SER	A	86	L	H	HB3	ARG	V	81
R	H	O	SER	A	86	L	H	HG3	ARG	V	81
R	H	O	SER	A	86	L	H	CD1	LEU	V	84
R	H	O	SER	A	86	L	H	HB2	LEU	V	84
R	H	O	SER	A	86	L	H	HD11	LEU	V	84
R	H	O	SER	A	86	L	H	HD12	LEU	V	84
R	H	O	SER	A	86	L	H	HD13	LEU	V	84
R	H	OG	SER	A	86	L	H	CA	PRO	V	77
R	H	OG	SER	A	86	L	H	C	PRO	V	77
R	H	OG	SER	A	86	L	H	CB	PRO	V	77
R	H	OG	SER	A	86	L	H	O	PRO	V	77
R	H	OG	SER	A	86	L	H	HA	PRO	V	77
R	H	OG	SER	A	86	L	H	HB2	PRO	V	77
R	H	OG	SER	A	86	L	H	HB	ILE	V	80
R	H	OG	SER	A	86	L	H	HG21	ILE	V	80
R	H	OG	SER	A	86	L	H	HG22	ILE	V	80
R	H	OG	SER	A	86	L	H	H	ARG	V	81
R	H	OG	SER	A	86	L	H	HB3	ARG	V	81
R	-	N	THR	A	87	L	H	HD11	LEU	V	84
R	-	CA	THR	A	87	L	H	HG21	ILE	V	80
R	-	CA	THR	A	87	L	H	CD1	LEU	V	84
R	-	CA	THR	A	87	L	H	HD11	LEU	V	84
R	-	CA	THR	A	87	L	H	HD12	LEU	V	84
R	-	CA	THR	A	87	L	H	HD13	LEU	V	84
R	-	C	THR	A	87	L	H	HD12	LEU	V	84
R	-	CB	THR	A	87	L	H	HD13	LEU	V	30
R	-	CB	THR	A	87	L	H	HD22	LEU	V	30
R	-	CB	THR	A	87	L	H	HG21	ILE	V	80
R	-	CB	THR	A	87	L	H	HG22	ILE	V	80
R	-	CB	THR	A	87	L	H	HD13	LEU	V	84
R	-	CG2	THR	A	87	L	H	CD1	LEU	V	30
R	-	CG2	THR	A	87	L	H	HB2	LEU	V	30
R	-	CG2	THR	A	87	L	H	HD13	LEU	V	30
R	-	CG2	THR	A	87	L	H	HD22	LEU	V	30
R	-	CG2	THR	A	87	L	H	CG2	ILE	V	80
R	-	CG2	THR	A	87	L	H	HG21	ILE	V	80
R	-	CG2	THR	A	87	L	H	HG22	ILE	V	80
R	-	CG2	THR	A	87	L	H	HG23	ILE	V	80
R	-	CG2	THR	A	87	L	H	HD12	ILE	V	80
R	-	CG2	THR	A	87	L	H	HD13	LEU	V	84
R	-	OG1	THR	A	87	L	H	CD1	LEU	V	30
R	-	OG1	THR	A	87	L	H	HD12	LEU	V	30
R	-	OG1	THR	A	87	L	H	HD13	LEU	V	30
R	-	OG1	THR	A	87	L	H	HD22	LEU	V	30
R	-	N	GLU	A	88	L	H	HD12	LEU	V	84
R	-	N	GLU	A	88	L	H	HD13	LEU	V	84
R	-	CG	GLU	A	88	L	H	HD12	LEU	V	84
R	-	OE1	GLU	A	88	L	H	HD22	LEU	V	84
R	-	C	LYS	A	89	L	H	HD23	LEU	V	30
R	-	O	LYS	A	89	L	H	CD2	LEU	V	30
R	-	O	LYS	A	89	L	H	HD12	LEU	V	30
R	-	O	LYS	A	89	L	H	HD21	LEU	V	30
R	-	O	LYS	A	89	L	H	HD22	LEU	V	30
R	-	O	LYS	A	89	L	H	HD23	LEU	V	30
R	S	CA	THR	A	90	L	H	HD12	LEU	V	30
R	S	CA	THR	A	90	L	H	HD23	LEU	V	30
R	S	CB	THR	A	90	L	H	HD12	LEU	V	30
R	S	CG2	THR	A	90	L	H	HD12	LEU	V	30
R	S	CG2	THR	A	90	L	H	HD23	LEU	V	34
R	S	OG1	THR	A	90	L	H	HD12	LEU	V	30
R	S	N	MET	A	91	L	H	CD1	LEU	V	34
R	S	N	MET	A	91	L	H	HD12	LEU	V	34
R	S	N	MET	A	91	L	H	HD13	LEU	V	34
R	S	N	MET	A	91	L	H	HD23	LEU	V	34
R	S	CA	MET	A	91	L	H	CD1	LEU	V	34
R	S	CA	MET	A	91	L	H	HD12	LEU	V	34
R	S	CA	MET	A	91	L	H	HD13	LEU	V	34
R	S	CA	MET	A	91	L	H	HD22	LEU	V	34
R	S	CA	MET	A	91	L	H	HD23	LEU	V	34
R	S	C	MET	A	91	L	H	CD1	LEU	V	34
R	S	C	MET	A	91	L	H	CD2	LEU	V	34
R	S	C	MET	A	91	L	H	HD12	LEU	V	34
R	S	C	MET	A	91	L	H	HD13	LEU	V	34
R	S	C	MET	A	91	L	H	HD22	LEU	V	34
R	S	C	MET	A	91	L	H	HD23	LEU	V	34
R	S	CB	MET	A	91	L	H	CD1	LEU	V	34
R	S	CB	MET	A	91	L	H	HD11	LEU	V	34
R	S	CB	MET	A	91	L	H	HD12	LEU	V	34
R	S	CB	MET	A	91	L	H	HD13	LEU	V	34
R	S	O	MET	A	91	L	H	CB	LEU	V	34
R	S	O	MET	A	91	L	H	CG	LEU	V	34
R	S	O	MET	A	91	L	H	CD1	LEU	V	34
R	S	O	MET	A	91	L	H	CD2	LEU	V	34
R	S	O	MET	A	91	L	H	HB2	LEU	V	34
R	S	O	MET	A	91	L	H	HG	LEU	V	34
R	S	O	MET	A	91	L	H	HD11	LEU	V	34
R	S	O	MET	A	91	L	H	HD12	LEU	V	34
R	S	O	MET	A	91	L	H	HD13	LEU	V	34
R	S	O	MET	A	91	L	H	HD21	LEU	V	34
R	S	O	MET	A	91	L	H	HD22	LEU	V	34
R	S	O	MET	A	91	L	H	HD23	LEU	V	34
R	S	CG	MET	A	91	L	H	HD12	LEU	V	34
R	S	CG	MET	A	91	L	H	HD13	LEU	V	34
R	S	N	ILE	A	92	L	H	HD22	LEU	V	34
R	S	CA	ILE	A	92	L	H	HD22	LEU	V	34
R	S	CD1	ILE	A	92	L	H	HD22	LEU	V	37
R	S	N	SER	A	93	L	H	CG2	VAL	V	38
R	S	N	SER	A	93	L	H	HG21	VAL	V	38
R	S	N	SER	A	93	L	H	HG22	VAL	V	38
R	S	N	SER	A	93	L	H	HG23	VAL	V	38
R	S	CA	SER	A	93	L	H	CG2	VAL	V	38
R	S	CA	SER	A	93	L	H	HG22	VAL	V	38
R	S	CA	SER	A	93	L	H	HG23	VAL	V	38
R	S	CB	SER	A	93	L	H	CB	VAL	V	38
R	S	CB	SER	A	93	L	H	CG1	VAL	V	38
R	S	CB	SER	A	93	L	H	CG2	VAL	V	38
R	S	CB	SER	A	93	L	H	HG12	VAL	V	38
R	S	CB	SER	A	93	L	H	HG13	VAL	V	38
R	S	CB	SER	A	93	L	H	HG21	VAL	V	38
R	S	CB	SER	A	93	L	H	HG22	VAL	V	38
R	S	CB	SER	A	93	L	H	HG23	VAL	V	38
R	S	OG	SER	A	93	L	H	CB	VAL	V	38
R	S	OG	SER	A	93	L	H	CG1	VAL	V	38
R	S	OG	SER	A	93	L	H	CG2	VAL	V	38
R	S	OG	SER	A	93	L	H	HA	VAL	V	38
R	S	OG	SER	A	93	L	H	HB	VAL	V	38
R	S	OG	SER	A	93	L	H	HG11	VAL	V	38
R	S	OG	SER	A	93	L	H	HG12	VAL	V	38
R	S	OG	SER	A	93	L	H	HG13	VAL	V	38
R	S	OG	SER	A	93	L	H	HG21	VAL	V	38
R	S	OG	SER	A	93	L	H	HG22	VAL	V	38
R	S	OG	SER	A	93	L	H	HG23	VAL	V	38
R	H	CD2	PHE	A	94	L	-	HE22	GLN	V	310
R	H	CE1	PHE	A	94	L	H	CG2	ILE	V	306
R	H	CE1	PHE	A	94	L	H	HG22	ILE	V	306
R	H	CE1	PHE	A	94	L	H	HG23	ILE	V	306
R	H	CE1	PHE	A	94	L	-	NE2	GLN	V	310
R	H	CE1	PHE	A	94	L	-	HE21	GLN	V	310
R	H	CE1	PHE	A	94	L	-	HE22	GLN	V	310
R	H	CE2	PHE	A	94	L	-	NE2	GLN	V	310
R	H	CE2	PHE	A	94	L	-	HE21	GLN	V	310
R	H	CE2	PHE	A	94	L	-	HE22	GLN	V	310
R	H	CZ	PHE	A	94	L	H	HG22	ILE	V	306
R	H	CZ	PHE	A	94	L	H	HG23	ILE	V	306
R	H	CZ	PHE	A	94	L	-	NE2	GLN	V	310
R	H	CZ	PHE	A	94	L	-	HE21	GLN	V	310
R	H	CZ	PHE	A	94	L	-	HE22	GLN	V	310
R	H	CB	VAL	A	95	L	H	HG13	VAL	V	38
R	H	CB	VAL	A	95	L	H	HD12	LEU	V	42
R	H	CG1	VAL	A	95	L	H	CB	LEU	V	42
R	H	CG1	VAL	A	95	L	H	CD1	LEU	V	42
R	H	CG1	VAL	A	95	L	H	HA	LEU	V	42
R	H	CG1	VAL	A	95	L	H	HB2	LEU	V	42
R	H	CG1	VAL	A	95	L	H	HD11	LEU	V	42
R	H	CG1	VAL	A	95	L	H	HD12	LEU	V	42
R	H	CG2	VAL	A	95	L	H	HD12	LEU	V	42
R	H	CG2	VAL	A	95	L	H	HE1	PHE	V	303
R	H	N	GLY	A	96	L	H	HA	VAL	V	38
R	H	N	GLY	A	96	L	H	HG13	VAL	V	38
R	H	N	GLY	A	96	L	H	HG22	VAL	V	38
R	H	CA	GLY	A	96	L	H	HA	VAL	V	38
R	H	CA	GLY	A	96	L	H	HG22	VAL	V	38
R	H	CA	GLY	A	96	L	H	CD1	LEU	V	41
R	H	CA	GLY	A	96	L	H	HB2	LEU	V	41
R	H	CA	GLY	A	96	L	H	HD11	LEU	V	41
R	H	CA	GLY	A	96	L	H	HD13	LEU	V	41
R	H	C	GLY	A	96	L	H	CD1	LEU	V	41
R	H	C	GLY	A	96	L	H	HD11	LEU	V	41
R	H	C	GLY	A	96	L	H	HD13	LEU	V	41
R	H	O	GLY	A	96	L	H	CD1	LEU	V	41
R	H	O	GLY	A	96	L	H	HD11	LEU	V	41
R	H	O	GLY	A	96	L	H	HD12	LEU	V	41
R	H	O	GLY	A	96	L	H	HD13	LEU	V	41
R	H	CE1	PHE	A	98	L	H	HD12	LEU	V	49
R	H	CZ	PHE	A	98	L	H	HD12	LEU	V	49
R	H	CA	ALA	A	99	L	H	HB3	LEU	V	41
R	H	CA	ALA	A	99	L	H	HD22	LEU	V	41
R	H	C	ALA	A	99	L	H	HD13	LEU	V	41
R	H	C	ALA	A	99	L	H	HD22	LEU	V	41
R	H	CB	ALA	A	99	L	H	CB	LEU	V	41
R	H	CB	ALA	A	99	L	H	O	LEU	V	41
R	H	CB	ALA	A	99	L	H	CD2	LEU	V	41
R	H	CB	ALA	A	99	L	H	HB2	LEU	V	41
R	H	CB	ALA	A	99	L	H	HB3	LEU	V	41
R	H	CB	ALA	A	99	L	H	HD13	LEU	V	41
R	H	CB	ALA	A	99	L	H	HD22	LEU	V	41
R	H	CB	ALA	A	99	L	H	HB2	ALA	V	45
R	H	O	ALA	A	99	L	H	HD22	LEU	V	41
R	H	N	GLN	A	100	L	H	HD13	LEU	V	41
R	H	N	GLN	A	100	L	H	HD22	LEU	V	41
R	H	CD2	TYR	A	102	L	H	HD22	LEU	V	49
R	H	CE1	TYR	A	102	L	H	CG2	THR	V	48
R	H	CE1	TYR	A	102	L	H	HG21	THR	V	48
R	H	CE1	TYR	A	102	L	H	HG23	THR	V	48
R	H	CE2	TYR	A	102	L	H	CD2	LEU	V	49
R	H	CE2	TYR	A	102	L	H	HD22	LEU	V	49
R	H	OH	TYR	A	102	L	H	CG2	THR	V	48
R	H	OH	TYR	A	102	L	H	HG21	THR	V	48
R	H	OH	TYR	A	102	L	H	HG23	THR	V	48
R	H	OH	TYR	A	102	L	H	CD2	LEU	V	49
R	H	OH	TYR	A	102	L	H	HD21	LEU	V	49
R	H	OH	TYR	A	102	L	H	HD22	LEU	V	49
R	H	CZ	TYR	A	102	L	H	HG21	THR	V	48
R	H	CZ	TYR	A	102	L	H	HG23	THR	V	48
R	H	CZ	TYR	A	102	L	H	HD21	LEU	V	49
R	H	CZ	TYR	A	102	L	H	HD22	LEU	V	49
R	H	CD1	PHE	A	103	L	H	HG22	ILE	V	44
R	H	CD2	PHE	A	103	L	H	HD22	LEU	V	41
R	H	CD2	PHE	A	103	L	H	HG21	ILE	V	44
R	H	CD2	PHE	A	103	L	H	HG22	ILE	V	44
R	H	CE1	PHE	A	103	L	H	CG2	ILE	V	44
R	H	CE1	PHE	A	103	L	H	HG21	ILE	V	44
R	H	CE1	PHE	A	103	L	H	HG22	ILE	V	44
R	H	CE1	PHE	A	103	L	H	HG23	ILE	V	44
R	H	CE1	PHE	A	103	L	H	HG21	THR	V	48
R	H	CE2	PHE	A	103	L	H	CB	ILE	V	44
R	H	CE2	PHE	A	103	L	H	CG2	ILE	V	44
R	H	CE2	PHE	A	103	L	H	HB	ILE	V	44
R	H	CE2	PHE	A	103	L	H	HG21	ILE	V	44
R	H	CE2	PHE	A	103	L	H	HG22	ILE	V	44
R	H	CE2	PHE	A	103	L	H	HG23	ILE	V	44
R	H	CZ	PHE	A	103	L	H	CB	ILE	V	44
R	H	CZ	PHE	A	103	L	H	CG2	ILE	V	44
R	H	CZ	PHE	A	103	L	H	HB	ILE	V	44
R	H	CZ	PHE	A	103	L	H	HG21	ILE	V	44
R	H	CZ	PHE	A	103	L	H	HG22	ILE	V	44
R	H	CZ	PHE	A	103	L	H	HG23	ILE	V	44
R	H	CZ	PHE	A	103	L	H	HA	ALA	V	45
R	H	CZ	PHE	A	103	L	H	OG1	THR	V	48
R	H	CG2	THR	A	157	L	H	HD23	LEU	V	49
R	H	CA	THR	A	161	L	H	HD12	LEU	V	309
R	H	C	THR	A	161	L	H	HD12	LEU	V	309
R	H	CB	THR	A	161	L	H	CD1	LEU	V	309
R	H	CB	THR	A	161	L	H	HD12	LEU	V	309
R	H	CB	THR	A	161	L	H	HD13	LEU	V	309
R	H	O	THR	A	161	L	H	CD1	LEU	V	309
R	H	O	THR	A	161	L	H	HB3	LEU	V	309
R	H	O	THR	A	161	L	H	HD12	LEU	V	309
R	H	O	THR	A	161	L	H	HD23	LEU	V	309
R	H	CG2	THR	A	161	L	H	CD1	LEU	V	309
R	H	CG2	THR	A	161	L	H	HD12	LEU	V	309
R	H	CG2	THR	A	161	L	H	HD13	LEU	V	309
R	H	OG1	THR	A	161	L	H	HD12	LEU	V	309
R	H	C	PHE	A	164	L	-	HG2	GLN	V	310
R	H	C	PHE	A	164	L	-	HG3	GLN	V	310
R	H	C	PHE	A	164	L	-	HE21	GLN	V	310
R	H	O	PHE	A	164	L	H	HG22	ILE	V	306
R	H	O	PHE	A	164	L	-	CG	GLN	V	310
R	H	O	PHE	A	164	L	-	CD	GLN	V	310
R	H	O	PHE	A	164	L	-	NE2	GLN	V	310
R	H	O	PHE	A	164	L	-	HG2	GLN	V	310
R	H	O	PHE	A	164	L	-	HG3	GLN	V	310
R	H	O	PHE	A	164	L	-	HE21	GLN	V	310
R	H	N	SER	A	165	L	H	O	LEU	V	309
R	H	N	SER	A	165	L	H	HB3	LEU	V	309
R	H	N	SER	A	165	L	-	HG2	GLN	V	310
R	H	CA	SER	A	165	L	H	C	LEU	V	309
R	H	CA	SER	A	165	L	H	O	LEU	V	309
R	H	CA	SER	A	165	L	H	HB3	LEU	V	309
R	H	CA	SER	A	165	L	-	N	GLN	V	310
R	H	CA	SER	A	165	L	-	CA	GLN	V	310
R	H	CA	SER	A	165	L	-	CG	GLN	V	310
R	H	CA	SER	A	165	L	-	HA	GLN	V	310
R	H	CA	SER	A	165	L	-	HG2	GLN	V	310
R	H	CA	SER	A	165	L	-	HG3	GLN	V	310
R	H	C	SER	A	165	L	H	C	LEU	V	309
R	H	C	SER	A	165	L	H	O	LEU	V	309
R	H	C	SER	A	165	L	-	CA	GLN	V	310
R	H	C	SER	A	165	L	-	HA	GLN	V	310
R	H	C	SER	A	165	L	-	HG2	GLN	V	310
R	H	CB	SER	A	165	L	H	CA	LEU	V	309
R	H	CB	SER	A	165	L	H	C	LEU	V	309
R	H	CB	SER	A	165	L	H	CB	LEU	V	309
R	H	CB	SER	A	165	L	H	O	LEU	V	309
R	H	CB	SER	A	165	L	H	HA	LEU	V	309
R	H	CB	SER	A	165	L	H	HB3	LEU	V	309
R	H	CB	SER	A	165	L	H	HD23	LEU	V	309
R	H	CB	SER	A	165	L	-	N	GLN	V	310
R	H	CB	SER	A	165	L	-	HA	GLN	V	310
R	H	O	SER	A	165	L	H	C	LEU	V	309
R	H	O	SER	A	165	L	H	O	LEU	V	309
R	H	O	SER	A	165	L	-	N	GLN	V	310
R	H	O	SER	A	165	L	-	CA	GLN	V	310
R	H	O	SER	A	165	L	-	C	GLN	V	310
R	H	O	SER	A	165	L	-	CB	GLN	V	310
R	H	O	SER	A	165	L	-	O	GLN	V	310
R	H	O	SER	A	165	L	-	CG	GLN	V	310
R	H	O	SER	A	165	L	-	HA	GLN	V	310
R	H	O	SER	A	165	L	-	HB2	GLN	V	310
R	H	O	SER	A	165	L	-	HG2	GLN	V	310
R	H	OG	SER	A	165	L	H	O	LEU	V	309
R	H	OG	SER	A	165	L	H	HB3	LEU	V	309
R	-	N	PHE	A	166	L	-	HA	GLN	V	310
R	-	N	PHE	A	166	L	-	HG2	GLN	V	310
R	-	O	PHE	A	166	L	-	HG2	GLN	V	310
R	-	O	PHE	A	166	L	-	HE21	GLN	V	310
R	H	CE1	HIS	A	312	L	H	HG12	VAL	V	156
R	H	CE1	HIS	A	312	L	H	OD1	ASN	V	160
R	H	NE2	HIS	A	312	L	H	HG12	VAL	V	156
R	H	NE2	HIS	A	312	L	H	HG23	VAL	V	156

- 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