IID

A6NMS3_A6NND4.1 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	104
R	H	TYR	A	102	L	H	SER	V	101
R	H	TYR	A	102	L	S	SER	V	98
R	H	PHE	A	103	L	H	SER	V	101
R	S	GLU	A	11	L	H	ILE	V	162
R	H	PHE	A	149	L	H	LEU	V	92
R	H	VAL	A	160	L	H	SER	V	100
R	H	LEU	A	164	L	-	SER	V	13
R	H	PHE	A	28	L	H	ILE	V	69
R	H	PHE	A	28	L	H	THR	V	73
R	H	VAL	A	29	L	H	VAL	V	55
R	H	SER	A	32	L	H	LEU	V	51
R	H	TYR	A	35	L	H	TYR	V	40
R	H	TYR	A	35	L	H	ILE	V	76
R	H	TYR	A	35	L	H	THR	V	80
R	H	LEU	A	36	L	H	LEU	V	44
R	H	LEU	A	36	L	H	ALA	V	48
R	H	LEU	A	36	L	H	LEU	V	51
R	H	LEU	A	36	L	H	ILE	V	76
R	H	MET	A	39	L	H	TYR	V	40
R	H	MET	A	39	L	H	LEU	V	44
R	H	MET	A	39	L	H	THR	V	80
R	H	MET	A	39	L	H	PRO	V	84
R	H	VAL	A	40	L	H	LEU	V	41
R	H	VAL	A	40	L	H	LEU	V	44
R	H	VAL	A	40	L	H	MET	V	45
R	H	LEU	A	43	L	H	LEU	V	37
R	H	LEU	A	43	L	H	TYR	V	40
R	H	LEU	A	43	L	H	LEU	V	41
R	H	LEU	A	43	L	H	LEU	V	44
R	H	LEU	A	43	L	H	PRO	V	84
R	H	GLY	A	44	L	H	LEU	V	41
R	H	VAL	A	46	L	H	PHE	V	33
R	H	VAL	A	46	L	H	LEU	V	91
R	H	ALA	A	47	L	H	PHE	V	33
R	H	ALA	A	47	L	H	PHE	V	34
R	H	ALA	A	47	L	H	LEU	V	37
R	H	ALA	A	47	L	H	LEU	V	41
R	H	TYR	A	50	L	H	LEU	V	30
R	H	TYR	A	50	L	H	PHE	V	33
R	H	TYR	A	50	L	H	PHE	V	34
R	H	TYR	A	50	L	H	LEU	V	91
R	H	TYR	A	50	L	H	LEU	V	92
R	H	VAL	A	51	L	H	PHE	V	34
R	H	ASN	A	65	L	H	LEU	V	92
R	H	LEU	A	68	L	H	LEU	V	92
R	H	CYS	A	75	L	H	THR	V	80
R	H	CYS	A	75	L	H	PRO	V	84
R	H	PRO	A	79	L	H	LEU	V	77
R	H	LYS	A	80	L	H	LEU	V	158
R	H	LEU	A	82	L	H	LEU	V	77
R	H	GLU	A	83	L	H	PHE	V	112
R	H	GLU	A	83	L	H	TRP	V	154
R	H	GLU	A	83	L	H	LEU	V	158
R	-	PHE	A	86	L	H	ALA	V	151
R	-	SER	A	87	L	H	LEU	V	155
R	-	GLU	A	88	L	H	ALA	V	151
R	-	GLU	A	88	L	H	LEU	V	155
R	-	ASP	A	89	L	H	LEU	V	155
R	-	ASP	A	89	L	H	LEU	V	159
R	H	TYR	A	95	L	H	SER	V	100
R	H	TYR	A	95	L	H	LEU	V	103
R	H	TYR	A	95	L	H	LEU	V	104
R	H	TYR	A	95	L	H	SER	V	169
R	H	TYR	A	95	L	H	PHE	V	99
R	H	GLU	A	96	L	H	LEU	V	104
R	H	GLU	A	96	L	H	TYR	V	107
R	H	GLU	A	96	L	H	LEU	V	108
R	H	MET	A	98	L	H	SER	V	100
R	H	ALA	A	99	L	H	SER	V	100
R	H	ALA	A	99	L	H	SER	V	101
R	H	ALA	A	99	L	H	LEU	V	104

- 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

A6NMS3_A6NND4.1 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	S	CD	GLU	A	11	L	H	HD13	ILE	V	162
R	S	OE1	GLU	A	11	L	H	HG22	ILE	V	162
R	S	OE1	GLU	A	11	L	H	HD13	ILE	V	162
R	H	CE1	PHE	A	28	L	H	CG2	ILE	V	69
R	H	CE1	PHE	A	28	L	H	HG21	ILE	V	69
R	H	CE1	PHE	A	28	L	H	HG22	ILE	V	69
R	H	CE1	PHE	A	28	L	H	HG23	ILE	V	69
R	H	CE1	PHE	A	28	L	H	OG1	THR	V	73
R	H	CE2	PHE	A	28	L	H	CG2	THR	V	73
R	H	CE2	PHE	A	28	L	H	HG21	THR	V	73
R	H	CE2	PHE	A	28	L	H	HG22	THR	V	73
R	H	CZ	PHE	A	28	L	H	HG21	ILE	V	69
R	H	CZ	PHE	A	28	L	H	CB	THR	V	73
R	H	CZ	PHE	A	28	L	H	CG2	THR	V	73
R	H	CZ	PHE	A	28	L	H	OG1	THR	V	73
R	H	CZ	PHE	A	28	L	H	HG1	THR	V	73
R	H	CZ	PHE	A	28	L	H	HG21	THR	V	73
R	H	CZ	PHE	A	28	L	H	HG22	THR	V	73
R	H	CB	VAL	A	29	L	H	HG12	VAL	V	55
R	H	CB	VAL	A	29	L	H	HG23	VAL	V	55
R	H	CG1	VAL	A	29	L	H	CB	VAL	V	55
R	H	CG1	VAL	A	29	L	H	CG1	VAL	V	55
R	H	CG1	VAL	A	29	L	H	CG2	VAL	V	55
R	H	CG1	VAL	A	29	L	H	HG12	VAL	V	55
R	H	CG1	VAL	A	29	L	H	HG13	VAL	V	55
R	H	CG1	VAL	A	29	L	H	HG22	VAL	V	55
R	H	CG1	VAL	A	29	L	H	HG23	VAL	V	55
R	H	CG2	VAL	A	29	L	H	CG2	VAL	V	55
R	H	CG2	VAL	A	29	L	H	HG12	VAL	V	55
R	H	CG2	VAL	A	29	L	H	HG13	VAL	V	55
R	H	CG2	VAL	A	29	L	H	HG22	VAL	V	55
R	H	CG2	VAL	A	29	L	H	HG23	VAL	V	55
R	H	CB	SER	A	32	L	H	HD13	LEU	V	51
R	H	OG	SER	A	32	L	H	HD13	LEU	V	51
R	H	CD1	TYR	A	35	L	H	CG2	ILE	V	76
R	H	CD1	TYR	A	35	L	H	HG21	ILE	V	76
R	H	CD1	TYR	A	35	L	H	HG22	ILE	V	76
R	H	CD1	TYR	A	35	L	H	HG23	ILE	V	76
R	H	CE1	TYR	A	35	L	H	CG2	ILE	V	76
R	H	CE1	TYR	A	35	L	H	HG21	ILE	V	76
R	H	CE1	TYR	A	35	L	H	HG22	ILE	V	76
R	H	CE1	TYR	A	35	L	H	HG23	ILE	V	76
R	H	CE1	TYR	A	35	L	H	OG1	THR	V	80
R	H	CE1	TYR	A	35	L	H	HG21	THR	V	80
R	H	CE2	TYR	A	35	L	H	HG21	THR	V	80
R	H	OH	TYR	A	35	L	H	HH	TYR	V	40
R	H	OH	TYR	A	35	L	H	HG21	ILE	V	76
R	H	OH	TYR	A	35	L	H	HG22	ILE	V	76
R	H	OH	TYR	A	35	L	H	CB	THR	V	80
R	H	OH	TYR	A	35	L	H	CG2	THR	V	80
R	H	OH	TYR	A	35	L	H	OG1	THR	V	80
R	H	OH	TYR	A	35	L	H	HB	THR	V	80
R	H	OH	TYR	A	35	L	H	HG1	THR	V	80
R	H	OH	TYR	A	35	L	H	HG21	THR	V	80
R	H	OH	TYR	A	35	L	H	HG22	THR	V	80
R	H	OH	TYR	A	35	L	H	HG23	THR	V	80
R	H	CZ	TYR	A	35	L	H	CG2	ILE	V	76
R	H	CZ	TYR	A	35	L	H	HG21	ILE	V	76
R	H	CZ	TYR	A	35	L	H	HG22	ILE	V	76
R	H	CZ	TYR	A	35	L	H	CB	THR	V	80
R	H	CZ	TYR	A	35	L	H	CG2	THR	V	80
R	H	CZ	TYR	A	35	L	H	OG1	THR	V	80
R	H	CZ	TYR	A	35	L	H	HB	THR	V	80
R	H	CZ	TYR	A	35	L	H	HG21	THR	V	80
R	H	CB	LEU	A	36	L	H	CB	ALA	V	48
R	H	CB	LEU	A	36	L	H	HB1	ALA	V	48
R	H	CB	LEU	A	36	L	H	HB3	ALA	V	48
R	H	O	LEU	A	36	L	H	HD13	LEU	V	44
R	H	CG	LEU	A	36	L	H	CA	ALA	V	48
R	H	CG	LEU	A	36	L	H	CB	ALA	V	48
R	H	CG	LEU	A	36	L	H	HA	ALA	V	48
R	H	CG	LEU	A	36	L	H	HB1	ALA	V	48
R	H	CG	LEU	A	36	L	H	HB3	ALA	V	48
R	H	CG	LEU	A	36	L	H	HD11	LEU	V	51
R	H	CG	LEU	A	36	L	H	CD1	ILE	V	76
R	H	CG	LEU	A	36	L	H	HG23	ILE	V	76
R	H	CG	LEU	A	36	L	H	HD11	ILE	V	76
R	H	CG	LEU	A	36	L	H	HD13	ILE	V	76
R	H	CD1	LEU	A	36	L	H	N	ALA	V	48
R	H	CD1	LEU	A	36	L	H	CA	ALA	V	48
R	H	CD1	LEU	A	36	L	H	C	ALA	V	48
R	H	CD1	LEU	A	36	L	H	CB	ALA	V	48
R	H	CD1	LEU	A	36	L	H	H	ALA	V	48
R	H	CD1	LEU	A	36	L	H	HA	ALA	V	48
R	H	CD1	LEU	A	36	L	H	HB1	ALA	V	48
R	H	CD1	LEU	A	36	L	H	HB2	ALA	V	48
R	H	CD1	LEU	A	36	L	H	HB3	ALA	V	48
R	H	CD1	LEU	A	36	L	H	CD1	LEU	V	51
R	H	CD1	LEU	A	36	L	H	HB2	LEU	V	51
R	H	CD1	LEU	A	36	L	H	HD11	LEU	V	51
R	H	CD1	LEU	A	36	L	H	CD1	ILE	V	76
R	H	CD1	LEU	A	36	L	H	HD11	ILE	V	76
R	H	CD1	LEU	A	36	L	H	HD12	ILE	V	76
R	H	CD1	LEU	A	36	L	H	HD13	ILE	V	76
R	H	CD2	LEU	A	36	L	H	O	LEU	V	44
R	H	CD2	LEU	A	36	L	H	HA	LEU	V	44
R	H	CD2	LEU	A	36	L	H	HB3	LEU	V	44
R	H	CD2	LEU	A	36	L	H	HD22	LEU	V	44
R	H	CD2	LEU	A	36	L	H	CB	ALA	V	48
R	H	CD2	LEU	A	36	L	H	H	ALA	V	48
R	H	CD2	LEU	A	36	L	H	HA	ALA	V	48
R	H	CD2	LEU	A	36	L	H	HB3	ALA	V	48
R	H	CD2	LEU	A	36	L	H	CG1	ILE	V	76
R	H	CD2	LEU	A	36	L	H	CG2	ILE	V	76
R	H	CD2	LEU	A	36	L	H	CD1	ILE	V	76
R	H	CD2	LEU	A	36	L	H	HG13	ILE	V	76
R	H	CD2	LEU	A	36	L	H	HG22	ILE	V	76
R	H	CD2	LEU	A	36	L	H	HG23	ILE	V	76
R	H	CD2	LEU	A	36	L	H	HD11	ILE	V	76
R	H	CD2	LEU	A	36	L	H	HD12	ILE	V	76
R	H	CD2	LEU	A	36	L	H	HD13	ILE	V	76
R	H	CA	MET	A	39	L	H	HD13	LEU	V	44
R	H	C	MET	A	39	L	H	CD1	LEU	V	44
R	H	C	MET	A	39	L	H	HD12	LEU	V	44
R	H	C	MET	A	39	L	H	HD13	LEU	V	44
R	H	CB	MET	A	39	L	H	HH	TYR	V	40
R	H	CB	MET	A	39	L	H	CD1	LEU	V	44
R	H	CB	MET	A	39	L	H	HD11	LEU	V	44
R	H	CB	MET	A	39	L	H	HD12	LEU	V	44
R	H	CB	MET	A	39	L	H	HD13	LEU	V	44
R	H	O	MET	A	39	L	H	HD12	LEU	V	44
R	H	CG	MET	A	39	L	H	OH	TYR	V	40
R	H	CG	MET	A	39	L	H	HH	TYR	V	40
R	H	CG	MET	A	39	L	H	HD11	LEU	V	44
R	H	CG	MET	A	39	L	H	HD13	LEU	V	44
R	H	SD	MET	A	39	L	H	OH	TYR	V	40
R	H	SD	MET	A	39	L	H	HH	TYR	V	40
R	H	SD	MET	A	39	L	H	HG22	THR	V	80
R	H	CE	MET	A	39	L	H	CE1	TYR	V	40
R	H	CE	MET	A	39	L	H	OH	TYR	V	40
R	H	CE	MET	A	39	L	H	CZ	TYR	V	40
R	H	CE	MET	A	39	L	H	HE1	TYR	V	40
R	H	CE	MET	A	39	L	H	HH	TYR	V	40
R	H	CE	MET	A	39	L	H	HD11	LEU	V	44
R	H	CE	MET	A	39	L	H	CG2	THR	V	80
R	H	CE	MET	A	39	L	H	HG22	THR	V	80
R	H	CE	MET	A	39	L	H	HG3	PRO	V	84
R	H	N	VAL	A	40	L	H	HD12	LEU	V	44
R	H	N	VAL	A	40	L	H	HD13	LEU	V	44
R	H	CA	VAL	A	40	L	H	CD2	LEU	V	41
R	H	CA	VAL	A	40	L	H	HD21	LEU	V	41
R	H	CA	VAL	A	40	L	H	HD23	LEU	V	41
R	H	CA	VAL	A	40	L	H	HD12	LEU	V	44
R	H	C	VAL	A	40	L	H	HD23	LEU	V	41
R	H	CB	VAL	A	40	L	H	HD23	LEU	V	41
R	H	O	VAL	A	40	L	H	CD2	LEU	V	41
R	H	O	VAL	A	40	L	H	HD22	LEU	V	41
R	H	O	VAL	A	40	L	H	HD23	LEU	V	41
R	H	CG1	VAL	A	40	L	H	HD23	LEU	V	41
R	H	CG2	VAL	A	40	L	H	CB	LEU	V	44
R	H	CG2	VAL	A	40	L	H	HB2	LEU	V	44
R	H	CG2	VAL	A	40	L	H	HB3	LEU	V	44
R	H	CG2	VAL	A	40	L	H	HD12	LEU	V	44
R	H	CG2	VAL	A	40	L	H	HD13	LEU	V	44
R	H	CG2	VAL	A	40	L	H	HB2	MET	V	45
R	H	CA	LEU	A	43	L	H	HD12	LEU	V	37
R	H	CA	LEU	A	43	L	H	HD22	LEU	V	41
R	H	C	LEU	A	43	L	H	HD12	LEU	V	37
R	H	C	LEU	A	43	L	H	HD13	LEU	V	41
R	H	C	LEU	A	43	L	H	HD22	LEU	V	41
R	H	CB	LEU	A	43	L	H	HD11	LEU	V	37
R	H	CB	LEU	A	43	L	H	HD12	LEU	V	37
R	H	CB	LEU	A	43	L	H	HD1	TYR	V	40
R	H	CB	LEU	A	43	L	H	HE1	TYR	V	40
R	H	CB	LEU	A	43	L	H	CD2	LEU	V	41
R	H	CB	LEU	A	43	L	H	HD21	LEU	V	41
R	H	CB	LEU	A	43	L	H	HD22	LEU	V	41
R	H	O	LEU	A	43	L	H	CD1	LEU	V	37
R	H	O	LEU	A	43	L	H	HD12	LEU	V	37
R	H	O	LEU	A	43	L	H	HD13	LEU	V	37
R	H	O	LEU	A	43	L	H	HD23	LEU	V	37
R	H	O	LEU	A	43	L	H	HD13	LEU	V	41
R	H	O	LEU	A	43	L	H	HD22	LEU	V	41
R	H	CG	LEU	A	43	L	H	CD1	TYR	V	40
R	H	CG	LEU	A	43	L	H	CE1	TYR	V	40
R	H	CG	LEU	A	43	L	H	HD1	TYR	V	40
R	H	CG	LEU	A	43	L	H	HE1	TYR	V	40
R	H	CD1	LEU	A	43	L	H	CG	TYR	V	40
R	H	CD1	LEU	A	43	L	H	CD1	TYR	V	40
R	H	CD1	LEU	A	43	L	H	CE1	TYR	V	40
R	H	CD1	LEU	A	43	L	H	OH	TYR	V	40
R	H	CD1	LEU	A	43	L	H	CZ	TYR	V	40
R	H	CD1	LEU	A	43	L	H	HD1	TYR	V	40
R	H	CD1	LEU	A	43	L	H	HE1	TYR	V	40
R	H	CD1	LEU	A	43	L	H	HD11	LEU	V	44
R	H	CD1	LEU	A	43	L	H	HG3	PRO	V	84
R	H	CD2	LEU	A	43	L	H	HE1	TYR	V	40
R	H	N	GLY	A	44	L	H	CD2	LEU	V	41
R	H	N	GLY	A	44	L	H	HD13	LEU	V	41
R	H	N	GLY	A	44	L	H	HD22	LEU	V	41
R	H	N	GLY	A	44	L	H	HD23	LEU	V	41
R	H	CA	GLY	A	44	L	H	HD12	LEU	V	41
R	H	CA	GLY	A	44	L	H	HD13	LEU	V	41
R	H	CA	GLY	A	44	L	H	HD22	LEU	V	41
R	H	CG1	VAL	A	46	L	H	HZ	PHE	V	33
R	H	CG1	VAL	A	46	L	H	HD22	LEU	V	91
R	H	CG1	VAL	A	46	L	H	HD23	LEU	V	91
R	H	N	ALA	A	47	L	H	CD2	LEU	V	37
R	H	N	ALA	A	47	L	H	HD22	LEU	V	37
R	H	N	ALA	A	47	L	H	HD23	LEU	V	37
R	H	CA	ALA	A	47	L	H	HE1	PHE	V	33
R	H	CA	ALA	A	47	L	H	HE1	PHE	V	34
R	H	CA	ALA	A	47	L	H	CD2	LEU	V	37
R	H	CA	ALA	A	47	L	H	HD21	LEU	V	37
R	H	CA	ALA	A	47	L	H	HD22	LEU	V	37
R	H	CA	ALA	A	47	L	H	HD23	LEU	V	37
R	H	C	ALA	A	47	L	H	HE1	PHE	V	34
R	H	C	ALA	A	47	L	H	HD23	LEU	V	37
R	H	CB	ALA	A	47	L	H	HE1	PHE	V	34
R	H	CB	ALA	A	47	L	H	CG	LEU	V	37
R	H	CB	ALA	A	47	L	H	CD2	LEU	V	37
R	H	CB	ALA	A	47	L	H	HG	LEU	V	37
R	H	CB	ALA	A	47	L	H	HD12	LEU	V	37
R	H	CB	ALA	A	47	L	H	HD21	LEU	V	37
R	H	CB	ALA	A	47	L	H	HD22	LEU	V	37
R	H	CB	ALA	A	47	L	H	HD23	LEU	V	37
R	H	CB	ALA	A	47	L	H	HD13	LEU	V	41
R	H	O	ALA	A	47	L	H	CE1	PHE	V	34
R	H	O	ALA	A	47	L	H	HE1	PHE	V	34
R	H	O	ALA	A	47	L	H	HZ	PHE	V	34
R	H	CA	TYR	A	50	L	H	HZ	PHE	V	34
R	H	C	TYR	A	50	L	H	CZ	PHE	V	34
R	H	C	TYR	A	50	L	H	HE1	PHE	V	34
R	H	C	TYR	A	50	L	H	HZ	PHE	V	34
R	H	CB	TYR	A	50	L	H	HE1	PHE	V	33
R	H	CB	TYR	A	50	L	H	HZ	PHE	V	34
R	H	CB	TYR	A	50	L	H	HD12	LEU	V	91
R	H	O	TYR	A	50	L	H	HD13	LEU	V	30
R	H	O	TYR	A	50	L	H	CZ	PHE	V	34
R	H	O	TYR	A	50	L	H	HE2	PHE	V	34
R	H	O	TYR	A	50	L	H	HZ	PHE	V	34
R	H	CG	TYR	A	50	L	H	CD1	LEU	V	91
R	H	CG	TYR	A	50	L	H	HD12	LEU	V	91
R	H	CG	TYR	A	50	L	H	HD13	LEU	V	91
R	H	CG	TYR	A	50	L	H	HD23	LEU	V	91
R	H	CD1	TYR	A	50	L	H	CD1	LEU	V	91
R	H	CD1	TYR	A	50	L	H	HD12	LEU	V	91
R	H	CD1	TYR	A	50	L	H	HD23	LEU	V	91
R	H	CD2	TYR	A	50	L	H	CD2	LEU	V	91
R	H	CD2	TYR	A	50	L	H	HD12	LEU	V	91
R	H	CD2	TYR	A	50	L	H	HD22	LEU	V	91
R	H	CD2	TYR	A	50	L	H	HD23	LEU	V	91
R	H	CE1	TYR	A	50	L	H	HD12	LEU	V	91
R	H	CE1	TYR	A	50	L	H	HD23	LEU	V	91
R	H	CE2	TYR	A	50	L	H	CD2	LEU	V	91
R	H	CE2	TYR	A	50	L	H	HD12	LEU	V	91
R	H	CE2	TYR	A	50	L	H	HD22	LEU	V	91
R	H	CE2	TYR	A	50	L	H	HD23	LEU	V	91
R	H	OH	TYR	A	50	L	H	HD23	LEU	V	91
R	H	OH	TYR	A	50	L	H	HD23	LEU	V	92
R	H	CZ	TYR	A	50	L	H	CD2	LEU	V	91
R	H	CZ	TYR	A	50	L	H	HD12	LEU	V	91
R	H	CZ	TYR	A	50	L	H	HD23	LEU	V	91
R	H	N	VAL	A	51	L	H	CE1	PHE	V	34
R	H	N	VAL	A	51	L	H	CZ	PHE	V	34
R	H	N	VAL	A	51	L	H	HE1	PHE	V	34
R	H	N	VAL	A	51	L	H	HZ	PHE	V	34
R	H	CA	VAL	A	51	L	H	CE1	PHE	V	34
R	H	CA	VAL	A	51	L	H	CZ	PHE	V	34
R	H	CA	VAL	A	51	L	H	HE1	PHE	V	34
R	H	CA	VAL	A	51	L	H	HZ	PHE	V	34
R	H	C	VAL	A	51	L	H	HZ	PHE	V	34
R	H	CB	VAL	A	51	L	H	CE1	PHE	V	34
R	H	CB	VAL	A	51	L	H	CZ	PHE	V	34
R	H	CB	VAL	A	51	L	H	HE1	PHE	V	34
R	H	CB	VAL	A	51	L	H	HZ	PHE	V	34
R	H	CG2	VAL	A	51	L	H	CG	PHE	V	34
R	H	CG2	VAL	A	51	L	H	CD1	PHE	V	34
R	H	CG2	VAL	A	51	L	H	CD2	PHE	V	34
R	H	CG2	VAL	A	51	L	H	CE1	PHE	V	34
R	H	CG2	VAL	A	51	L	H	CE2	PHE	V	34
R	H	CG2	VAL	A	51	L	H	CZ	PHE	V	34
R	H	CG2	VAL	A	51	L	H	HD1	PHE	V	34
R	H	CG2	VAL	A	51	L	H	HE1	PHE	V	34
R	H	CG2	VAL	A	51	L	H	HZ	PHE	V	34
R	H	OD1	ASN	A	65	L	H	HD13	LEU	V	92
R	H	OD1	ASN	A	65	L	H	HD22	LEU	V	92
R	H	OD1	ASN	A	65	L	H	HD23	LEU	V	92
R	H	CG	LEU	A	68	L	H	HD13	LEU	V	92
R	H	CD2	LEU	A	68	L	H	CD1	LEU	V	92
R	H	CD2	LEU	A	68	L	H	HD11	LEU	V	92
R	H	CD2	LEU	A	68	L	H	HD12	LEU	V	92
R	H	CD2	LEU	A	68	L	H	HD13	LEU	V	92
R	H	CA	CYS	A	75	L	H	CG2	THR	V	80
R	H	CA	CYS	A	75	L	H	HG21	THR	V	80
R	H	CA	CYS	A	75	L	H	HG23	THR	V	80
R	H	CB	CYS	A	75	L	H	CG2	THR	V	80
R	H	CB	CYS	A	75	L	H	HG21	THR	V	80
R	H	CB	CYS	A	75	L	H	HG22	THR	V	80
R	H	CB	CYS	A	75	L	H	HG23	THR	V	80
R	H	SG	CYS	A	75	L	H	CB	THR	V	80
R	H	SG	CYS	A	75	L	H	O	THR	V	80
R	H	SG	CYS	A	75	L	H	CG2	THR	V	80
R	H	SG	CYS	A	75	L	H	HG21	THR	V	80
R	H	SG	CYS	A	75	L	H	HG22	THR	V	80
R	H	SG	CYS	A	75	L	H	HG23	THR	V	80
R	H	SG	CYS	A	75	L	H	HG2	PRO	V	84
R	H	N	PRO	A	79	L	H	HD22	LEU	V	77
R	H	N	PRO	A	79	L	H	HD23	LEU	V	77
R	H	CA	PRO	A	79	L	H	CD2	LEU	V	77
R	H	CA	PRO	A	79	L	H	HD21	LEU	V	77
R	H	CA	PRO	A	79	L	H	HD22	LEU	V	77
R	H	CA	PRO	A	79	L	H	HD23	LEU	V	77
R	H	C	PRO	A	79	L	H	CD2	LEU	V	77
R	H	C	PRO	A	79	L	H	HD22	LEU	V	77
R	H	C	PRO	A	79	L	H	HD23	LEU	V	77
R	H	CB	PRO	A	79	L	H	CG	LEU	V	77
R	H	CB	PRO	A	79	L	H	CD2	LEU	V	77
R	H	CB	PRO	A	79	L	H	HD21	LEU	V	77
R	H	CB	PRO	A	79	L	H	HD22	LEU	V	77
R	H	CB	PRO	A	79	L	H	HD23	LEU	V	77
R	H	O	PRO	A	79	L	H	CD2	LEU	V	77
R	H	O	PRO	A	79	L	H	HD12	LEU	V	77
R	H	O	PRO	A	79	L	H	HD13	LEU	V	77
R	H	O	PRO	A	79	L	H	HD22	LEU	V	77
R	H	O	PRO	A	79	L	H	HD23	LEU	V	77
R	H	CG	PRO	A	79	L	H	CD2	LEU	V	77
R	H	CG	PRO	A	79	L	H	HD21	LEU	V	77
R	H	CG	PRO	A	79	L	H	HD22	LEU	V	77
R	H	CG	PRO	A	79	L	H	HD23	LEU	V	77
R	H	NZ	LYS	A	80	L	H	HD22	LEU	V	158
R	H	CD1	LEU	A	82	L	H	HD22	LEU	V	77
R	H	CG	GLU	A	83	L	H	HZ3	TRP	V	154
R	H	CG	GLU	A	83	L	H	HD12	LEU	V	158
R	H	CG	GLU	A	83	L	H	HD23	LEU	V	158
R	H	CD	GLU	A	83	L	H	HE1	PHE	V	112
R	H	CD	GLU	A	83	L	H	CD1	LEU	V	158
R	H	CD	GLU	A	83	L	H	CD2	LEU	V	158
R	H	CD	GLU	A	83	L	H	HD12	LEU	V	158
R	H	CD	GLU	A	83	L	H	HD13	LEU	V	158
R	H	CD	GLU	A	83	L	H	HD22	LEU	V	158
R	H	CD	GLU	A	83	L	H	HD23	LEU	V	158
R	H	OE1	GLU	A	83	L	H	CG	LEU	V	158
R	H	OE1	GLU	A	83	L	H	CD1	LEU	V	158
R	H	OE1	GLU	A	83	L	H	CD2	LEU	V	158
R	H	OE1	GLU	A	83	L	H	HD11	LEU	V	158
R	H	OE1	GLU	A	83	L	H	HD12	LEU	V	158
R	H	OE1	GLU	A	83	L	H	HD13	LEU	V	158
R	H	OE1	GLU	A	83	L	H	HD21	LEU	V	158
R	H	OE1	GLU	A	83	L	H	HD22	LEU	V	158
R	H	OE1	GLU	A	83	L	H	HD23	LEU	V	158
R	H	OE2	GLU	A	83	L	H	HE1	PHE	V	112
R	H	OE2	GLU	A	83	L	H	HD22	LEU	V	158
R	H	OE2	GLU	A	83	L	H	HD23	LEU	V	158
R	-	O	PHE	A	86	L	H	HA	ALA	V	151
R	-	O	PHE	A	86	L	H	HB1	ALA	V	151
R	-	O	PHE	A	86	L	H	HB3	ALA	V	151
R	-	CA	SER	A	87	L	H	HD23	LEU	V	155
R	-	C	SER	A	87	L	H	HD23	LEU	V	155
R	-	CB	SER	A	87	L	H	HD23	LEU	V	155
R	-	OG	SER	A	87	L	H	CD2	LEU	V	155
R	-	OG	SER	A	87	L	H	HD21	LEU	V	155
R	-	OG	SER	A	87	L	H	HD23	LEU	V	155
R	-	N	GLU	A	88	L	H	CD2	LEU	V	155
R	-	N	GLU	A	88	L	H	HD12	LEU	V	155
R	-	N	GLU	A	88	L	H	HD23	LEU	V	155
R	-	CA	GLU	A	88	L	H	HD12	LEU	V	155
R	-	CA	GLU	A	88	L	H	HD23	LEU	V	155
R	-	C	GLU	A	88	L	H	HD23	LEU	V	155
R	-	CB	GLU	A	88	L	H	CD1	LEU	V	155
R	-	CB	GLU	A	88	L	H	HD12	LEU	V	155
R	-	CB	GLU	A	88	L	H	HD13	LEU	V	155
R	-	CB	GLU	A	88	L	H	HD23	LEU	V	155
R	-	CG	GLU	A	88	L	H	HB1	ALA	V	151
R	-	CG	GLU	A	88	L	H	CD1	LEU	V	155
R	-	CG	GLU	A	88	L	H	HD11	LEU	V	155
R	-	CG	GLU	A	88	L	H	HD12	LEU	V	155
R	-	CG	GLU	A	88	L	H	HD13	LEU	V	155
R	-	CD	GLU	A	88	L	H	HB1	ALA	V	151
R	-	CD	GLU	A	88	L	H	CD1	LEU	V	155
R	-	CD	GLU	A	88	L	H	HD11	LEU	V	155
R	-	CD	GLU	A	88	L	H	HD12	LEU	V	155
R	-	CD	GLU	A	88	L	H	HD13	LEU	V	155
R	-	OE1	GLU	A	88	L	H	HB1	ALA	V	151
R	-	OE1	GLU	A	88	L	H	HB2	ALA	V	151
R	-	OE1	GLU	A	88	L	H	HD11	LEU	V	155
R	-	OE1	GLU	A	88	L	H	HD12	LEU	V	155
R	-	OE2	GLU	A	88	L	H	CD1	LEU	V	155
R	-	OE2	GLU	A	88	L	H	HD11	LEU	V	155
R	-	OE2	GLU	A	88	L	H	HD12	LEU	V	155
R	-	OE2	GLU	A	88	L	H	HD13	LEU	V	155
R	-	N	ASP	A	89	L	H	CD2	LEU	V	155
R	-	N	ASP	A	89	L	H	HD22	LEU	V	155
R	-	N	ASP	A	89	L	H	HD23	LEU	V	155
R	-	CA	ASP	A	89	L	H	HD23	LEU	V	155
R	-	CB	ASP	A	89	L	H	HD22	LEU	V	155
R	-	CB	ASP	A	89	L	H	HD23	LEU	V	155
R	-	CG	ASP	A	89	L	H	CD2	LEU	V	155
R	-	CG	ASP	A	89	L	H	HD21	LEU	V	155
R	-	CG	ASP	A	89	L	H	HD22	LEU	V	155
R	-	CG	ASP	A	89	L	H	HD23	LEU	V	155
R	-	OD1	ASP	A	89	L	H	CD2	LEU	V	155
R	-	OD1	ASP	A	89	L	H	HD21	LEU	V	155
R	-	OD1	ASP	A	89	L	H	HD22	LEU	V	155
R	-	OD1	ASP	A	89	L	H	HD23	LEU	V	155
R	-	OD2	ASP	A	89	L	H	CD2	LEU	V	155
R	-	OD2	ASP	A	89	L	H	HD21	LEU	V	155
R	-	OD2	ASP	A	89	L	H	HD22	LEU	V	155
R	-	OD2	ASP	A	89	L	H	HD23	LEU	V	155
R	-	OD2	ASP	A	89	L	H	HG	LEU	V	159
R	-	OD2	ASP	A	89	L	H	HD22	LEU	V	159
R	H	CA	TYR	A	95	L	H	HB3	SER	V	100
R	H	C	TYR	A	95	L	H	HB3	SER	V	100
R	H	C	TYR	A	95	L	H	HB2	LEU	V	104
R	H	C	TYR	A	95	L	H	HD12	LEU	V	104
R	H	CB	TYR	A	95	L	H	HA	SER	V	100
R	H	CB	TYR	A	95	L	H	HB3	SER	V	100
R	H	CB	TYR	A	95	L	H	HB2	LEU	V	103
R	H	O	TYR	A	95	L	H	CB	SER	V	100
R	H	O	TYR	A	95	L	H	O	SER	V	100
R	H	O	TYR	A	95	L	H	HB3	SER	V	100
R	H	O	TYR	A	95	L	H	HB2	LEU	V	104
R	H	O	TYR	A	95	L	H	HD23	LEU	V	104
R	H	CG	TYR	A	95	L	H	HD12	LEU	V	103
R	H	CG	TYR	A	95	L	H	HD13	LEU	V	103
R	H	CD1	TYR	A	95	L	H	HD1	PHE	V	99
R	H	CD1	TYR	A	95	L	H	HE1	PHE	V	99
R	H	CD1	TYR	A	95	L	H	OG	SER	V	100
R	H	CD1	TYR	A	95	L	H	HA	SER	V	100
R	H	CD1	TYR	A	95	L	H	HD12	LEU	V	103
R	H	CD2	TYR	A	95	L	H	HD13	LEU	V	103
R	H	CE1	TYR	A	95	L	H	CE1	PHE	V	99
R	H	CE1	TYR	A	95	L	H	HD1	PHE	V	99
R	H	CE1	TYR	A	95	L	H	HE1	PHE	V	99
R	H	CE1	TYR	A	95	L	H	HD12	LEU	V	103
R	H	CE1	TYR	A	95	L	H	HB2	SER	V	169
R	H	CE2	TYR	A	95	L	H	OG	SER	V	169
R	H	CE2	TYR	A	95	L	H	HB2	SER	V	169
R	H	OH	TYR	A	95	L	H	HE1	PHE	V	99
R	H	OH	TYR	A	95	L	H	HB2	SER	V	169
R	H	CZ	TYR	A	95	L	H	HE1	PHE	V	99
R	H	CZ	TYR	A	95	L	H	HB2	SER	V	169
R	H	N	GLU	A	96	L	H	CD1	LEU	V	104
R	H	N	GLU	A	96	L	H	HB2	LEU	V	104
R	H	N	GLU	A	96	L	H	HD12	LEU	V	104
R	H	N	GLU	A	96	L	H	HD23	LEU	V	104
R	H	CA	GLU	A	96	L	H	CB	LEU	V	104
R	H	CA	GLU	A	96	L	H	CG	LEU	V	104
R	H	CA	GLU	A	96	L	H	CD1	LEU	V	104
R	H	CA	GLU	A	96	L	H	CD2	LEU	V	104
R	H	CA	GLU	A	96	L	H	HB2	LEU	V	104
R	H	CA	GLU	A	96	L	H	HD11	LEU	V	104
R	H	CA	GLU	A	96	L	H	HD12	LEU	V	104
R	H	CA	GLU	A	96	L	H	HD13	LEU	V	104
R	H	CA	GLU	A	96	L	H	HD22	LEU	V	104
R	H	CA	GLU	A	96	L	H	HD23	LEU	V	104
R	H	C	GLU	A	96	L	H	CD1	LEU	V	104
R	H	C	GLU	A	96	L	H	CD2	LEU	V	104
R	H	C	GLU	A	96	L	H	HD12	LEU	V	104
R	H	C	GLU	A	96	L	H	HD22	LEU	V	104
R	H	C	GLU	A	96	L	H	HD23	LEU	V	104
R	H	CB	GLU	A	96	L	H	CG	LEU	V	104
R	H	CB	GLU	A	96	L	H	CD1	LEU	V	104
R	H	CB	GLU	A	96	L	H	CD2	LEU	V	104
R	H	CB	GLU	A	96	L	H	HB2	LEU	V	104
R	H	CB	GLU	A	96	L	H	HD11	LEU	V	104
R	H	CB	GLU	A	96	L	H	HD12	LEU	V	104
R	H	CB	GLU	A	96	L	H	HD13	LEU	V	104
R	H	CB	GLU	A	96	L	H	HD23	LEU	V	104
R	H	O	GLU	A	96	L	H	CD2	LEU	V	104
R	H	O	GLU	A	96	L	H	HD12	LEU	V	104
R	H	O	GLU	A	96	L	H	HD21	LEU	V	104
R	H	O	GLU	A	96	L	H	HD22	LEU	V	104
R	H	O	GLU	A	96	L	H	HD23	LEU	V	104
R	H	CG	GLU	A	96	L	H	CB	LEU	V	104
R	H	CG	GLU	A	96	L	H	CG	LEU	V	104
R	H	CG	GLU	A	96	L	H	CD1	LEU	V	104
R	H	CG	GLU	A	96	L	H	HA	LEU	V	104
R	H	CG	GLU	A	96	L	H	HB2	LEU	V	104
R	H	CG	GLU	A	96	L	H	HD11	LEU	V	104
R	H	CG	GLU	A	96	L	H	HD12	LEU	V	104
R	H	CG	GLU	A	96	L	H	HD13	LEU	V	104
R	H	CG	GLU	A	96	L	H	CD1	TYR	V	107
R	H	CG	GLU	A	96	L	H	HD1	TYR	V	107
R	H	CD	GLU	A	96	L	H	CD1	LEU	V	104
R	H	CD	GLU	A	96	L	H	HD11	LEU	V	104
R	H	CD	GLU	A	96	L	H	HD12	LEU	V	104
R	H	CD	GLU	A	96	L	H	HD13	LEU	V	104
R	H	CD	GLU	A	96	L	H	CG	TYR	V	107
R	H	CD	GLU	A	96	L	H	CD1	TYR	V	107
R	H	CD	GLU	A	96	L	H	CE1	TYR	V	107
R	H	CD	GLU	A	96	L	H	HD1	TYR	V	107
R	H	CD	GLU	A	96	L	H	HE1	TYR	V	107
R	H	OE1	GLU	A	96	L	H	CD1	LEU	V	104
R	H	OE1	GLU	A	96	L	H	HD11	LEU	V	104
R	H	OE1	GLU	A	96	L	H	HD12	LEU	V	104
R	H	OE1	GLU	A	96	L	H	HD13	LEU	V	104
R	H	OE1	GLU	A	96	L	H	CG	TYR	V	107
R	H	OE1	GLU	A	96	L	H	CD1	TYR	V	107
R	H	OE1	GLU	A	96	L	H	CE1	TYR	V	107
R	H	OE1	GLU	A	96	L	H	CZ	TYR	V	107
R	H	OE1	GLU	A	96	L	H	HB2	TYR	V	107
R	H	OE1	GLU	A	96	L	H	HD1	TYR	V	107
R	H	OE1	GLU	A	96	L	H	HE1	TYR	V	107
R	H	OE1	GLU	A	96	L	H	CD2	LEU	V	108
R	H	OE1	GLU	A	96	L	H	HG	LEU	V	108
R	H	OE1	GLU	A	96	L	H	HD21	LEU	V	108
R	H	OE1	GLU	A	96	L	H	HD22	LEU	V	108
R	H	OE2	GLU	A	96	L	H	HD12	LEU	V	104
R	H	OE2	GLU	A	96	L	H	CD1	TYR	V	107
R	H	OE2	GLU	A	96	L	H	CE1	TYR	V	107
R	H	OE2	GLU	A	96	L	H	HD1	TYR	V	107
R	H	OE2	GLU	A	96	L	H	HE1	TYR	V	107
R	H	CA	MET	A	98	L	H	HB3	SER	V	100
R	H	C	MET	A	98	L	H	HB2	SER	V	100
R	H	C	MET	A	98	L	H	HB3	SER	V	100
R	H	CB	MET	A	98	L	H	CB	SER	V	100
R	H	CB	MET	A	98	L	H	OG	SER	V	100
R	H	CB	MET	A	98	L	H	HB2	SER	V	100
R	H	CB	MET	A	98	L	H	HB3	SER	V	100
R	H	CB	MET	A	98	L	H	HG	SER	V	100
R	H	CG	MET	A	98	L	H	HG	SER	V	100
R	H	SD	MET	A	98	L	H	OG	SER	V	100
R	H	SD	MET	A	98	L	H	HG	SER	V	100
R	H	CE	MET	A	98	L	H	OG	SER	V	100
R	H	CE	MET	A	98	L	H	HG	SER	V	100
R	H	N	ALA	A	99	L	H	HB2	SER	V	100
R	H	N	ALA	A	99	L	H	HB3	SER	V	100
R	H	N	ALA	A	99	L	H	HD23	LEU	V	104
R	H	CA	ALA	A	99	L	H	HB2	SER	V	100
R	H	CA	ALA	A	99	L	H	HA	SER	V	101
R	H	CA	ALA	A	99	L	H	CD2	LEU	V	104
R	H	CA	ALA	A	99	L	H	HD21	LEU	V	104
R	H	CA	ALA	A	99	L	H	HD23	LEU	V	104
R	H	C	ALA	A	99	L	H	CD2	LEU	V	104
R	H	C	ALA	A	99	L	H	HD21	LEU	V	104
R	H	C	ALA	A	99	L	H	HD23	LEU	V	104
R	H	CB	ALA	A	99	L	H	C	SER	V	100
R	H	CB	ALA	A	99	L	H	O	SER	V	100
R	H	CB	ALA	A	99	L	H	HB3	SER	V	100
R	H	CB	ALA	A	99	L	H	N	SER	V	101
R	H	CB	ALA	A	99	L	H	CA	SER	V	101
R	H	CB	ALA	A	99	L	H	HA	SER	V	101
R	H	CB	ALA	A	99	L	H	CB	LEU	V	104
R	H	CB	ALA	A	99	L	H	CG	LEU	V	104
R	H	CB	ALA	A	99	L	H	CD2	LEU	V	104
R	H	CB	ALA	A	99	L	H	HB2	LEU	V	104
R	H	CB	ALA	A	99	L	H	HB3	LEU	V	104
R	H	CB	ALA	A	99	L	H	HD21	LEU	V	104
R	H	CB	ALA	A	99	L	H	HD22	LEU	V	104
R	H	CB	ALA	A	99	L	H	HD23	LEU	V	104
R	H	N	GLN	A	100	L	H	CD2	LEU	V	104
R	H	N	GLN	A	100	L	H	HD21	LEU	V	104
R	H	N	GLN	A	100	L	H	HD22	LEU	V	104
R	H	N	GLN	A	100	L	H	HD23	LEU	V	104
R	H	CB	TYR	A	102	L	H	HG	SER	V	101
R	H	CG	TYR	A	102	L	S	HG	SER	V	98
R	H	CG	TYR	A	102	L	H	OG	SER	V	101
R	H	CG	TYR	A	102	L	H	HG	SER	V	101
R	H	CD1	TYR	A	102	L	S	HG	SER	V	98
R	H	CD1	TYR	A	102	L	H	OG	SER	V	101
R	H	CD1	TYR	A	102	L	H	HG	SER	V	101
R	H	CD2	TYR	A	102	L	S	HB3	SER	V	98
R	H	CE1	TYR	A	102	L	H	HG	SER	V	101
R	H	CE2	TYR	A	102	L	S	HB3	SER	V	98
R	H	CZ	TYR	A	102	L	S	HB3	SER	V	98
R	H	CD2	PHE	A	103	L	H	HB3	SER	V	101
R	H	CD2	PHE	A	103	L	H	HG	SER	V	101
R	H	CE1	PHE	A	103	L	H	HG	SER	V	101
R	H	CE2	PHE	A	103	L	H	CB	SER	V	101
R	H	CE2	PHE	A	103	L	H	OG	SER	V	101
R	H	CE2	PHE	A	103	L	H	HA	SER	V	101
R	H	CE2	PHE	A	103	L	H	HB3	SER	V	101
R	H	CE2	PHE	A	103	L	H	HG	SER	V	101
R	H	CZ	PHE	A	103	L	H	CB	SER	V	101
R	H	CZ	PHE	A	103	L	H	OG	SER	V	101
R	H	CZ	PHE	A	103	L	H	HB3	SER	V	101
R	H	CZ	PHE	A	103	L	H	HG	SER	V	101
R	H	CE1	PHE	A	149	L	H	HD12	LEU	V	92
R	H	CZ	PHE	A	149	L	H	HD12	LEU	V	92
R	H	CG1	VAL	A	160	L	H	HG	SER	V	100
R	H	CG	LEU	A	164	L	-	HG	SER	V	13
R	H	CD1	LEU	A	164	L	-	OG	SER	V	13
R	H	CD1	LEU	A	164	L	-	HG	SER	V	13
R	H	CD2	LEU	A	164	L	-	HG	SER	V	13

- 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