IID

A6NMS3_Q8NGS4.1 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	TYR	A	102	L	-	LYS	V	10
R	H	PHE	A	103	L	S	SER	V	93
R	H	PHE	A	103	L	H	PHE	V	94
R	H	PHE	A	103	L	H	SER	V	95
R	H	ASN	A	153	L	-	LYS	V	10
R	H	MET	A	157	L	-	LYS	V	10
R	H	PHE	A	28	L	H	PHE	V	68
R	H	TYR	A	305	L	H	LEU	V	32
R	H	TYR	A	305	L	H	LEU	V	33
R	H	TYR	A	305	L	H	LEU	V	36
R	H	LYS	A	309	L	H	LEU	V	33
R	H	SER	A	32	L	H	PHE	V	68
R	H	SER	A	32	L	H	TRP	V	72
R	H	ALA	A	33	L	H	TRP	V	72
R	H	TYR	A	35	L	H	LEU	V	103
R	H	TYR	A	35	L	H	TRP	V	72
R	H	TYR	A	35	L	H	THR	V	99
R	H	LEU	A	36	L	H	ILE	V	71
R	H	LEU	A	36	L	H	TRP	V	72
R	H	LEU	A	36	L	H	SER	V	75
R	H	VAL	A	40	L	H	TYR	V	35
R	H	VAL	A	40	L	H	SER	V	79
R	H	LEU	A	43	L	H	PRO	V	80
R	H	LEU	A	43	L	H	ALA	V	83
R	H	VAL	A	46	L	H	VAL	V	86
R	H	VAL	A	46	L	H	SER	V	87
R	H	VAL	A	46	L	-	ARG	V	89
R	H	ALA	A	47	L	H	ALA	V	83
R	H	ALA	A	47	L	H	VAL	V	86
R	H	ALA	A	47	L	H	SER	V	87
R	H	LEU	A	48	L	H	VAL	V	86
R	H	TYR	A	50	L	H	VAL	V	86
R	H	TYR	A	50	L	H	SER	V	87
R	H	TYR	A	50	L	-	ARG	V	89
R	H	VAL	A	51	L	H	VAL	V	86
R	H	GLY	A	64	L	-	ARG	V	89
R	H	CYS	A	72	L	S	SER	V	93
R	H	CYS	A	72	L	H	SER	V	95
R	H	CYS	A	75	L	H	SER	V	95
R	H	CYS	A	75	L	H	GLY	V	96
R	H	CYS	A	75	L	H	THR	V	99
R	H	ALA	A	76	L	H	SER	V	95
R	H	PRO	A	79	L	H	THR	V	99
R	H	LYS	A	80	L	H	MET	V	157
R	H	LEU	A	82	L	H	TRP	V	72
R	H	GLU	A	83	L	H	TYR	V	102
R	H	GLU	A	83	L	H	MET	V	157
R	-	PHE	A	86	L	H	MET	V	150
R	-	SER	A	87	L	H	MET	V	150
R	-	GLU	A	88	L	H	MET	V	150
R	S	ILE	A	91	L	H	MET	V	157
R	S	SER	A	93	L	H	MET	V	161
R	H	TYR	A	95	L	-	ASN	V	5
R	H	TYR	A	95	L	-	TRP	V	6
R	H	GLU	A	96	L	H	MET	V	157
R	H	GLU	A	96	L	H	MET	V	161

- 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_Q8NGS4.1 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	28	L	H	HZ	PHE	V	68
R	H	CE1	PHE	A	28	L	H	CE1	PHE	V	68
R	H	CE1	PHE	A	28	L	H	CZ	PHE	V	68
R	H	CE1	PHE	A	28	L	H	HE1	PHE	V	68
R	H	CE1	PHE	A	28	L	H	HZ	PHE	V	68
R	H	CZ	PHE	A	28	L	H	HE1	PHE	V	68
R	H	CZ	PHE	A	28	L	H	HZ	PHE	V	68
R	H	N	SER	A	32	L	H	HZ2	TRP	V	72
R	H	CA	SER	A	32	L	H	CH2	TRP	V	72
R	H	CA	SER	A	32	L	H	CZ2	TRP	V	72
R	H	CA	SER	A	32	L	H	HH2	TRP	V	72
R	H	CA	SER	A	32	L	H	HZ2	TRP	V	72
R	H	C	SER	A	32	L	H	CZ2	TRP	V	72
R	H	C	SER	A	32	L	H	HZ2	TRP	V	72
R	H	CB	SER	A	32	L	H	CZ	PHE	V	68
R	H	CB	SER	A	32	L	H	HZ	PHE	V	68
R	H	CB	SER	A	32	L	H	CE2	TRP	V	72
R	H	CB	SER	A	32	L	H	NE1	TRP	V	72
R	H	CB	SER	A	32	L	H	CH2	TRP	V	72
R	H	CB	SER	A	32	L	H	CZ2	TRP	V	72
R	H	CB	SER	A	32	L	H	HH2	TRP	V	72
R	H	CB	SER	A	32	L	H	HZ2	TRP	V	72
R	H	CB	SER	A	32	L	H	HE1	TRP	V	72
R	H	O	SER	A	32	L	H	CZ2	TRP	V	72
R	H	O	SER	A	32	L	H	HZ2	TRP	V	72
R	H	OG	SER	A	32	L	H	HZ	PHE	V	68
R	H	OG	SER	A	32	L	H	CE2	TRP	V	72
R	H	OG	SER	A	32	L	H	CH2	TRP	V	72
R	H	OG	SER	A	32	L	H	CZ2	TRP	V	72
R	H	OG	SER	A	32	L	H	HH2	TRP	V	72
R	H	OG	SER	A	32	L	H	HZ2	TRP	V	72
R	H	N	ALA	A	33	L	H	HZ2	TRP	V	72
R	H	CD1	TYR	A	35	L	H	HH2	TRP	V	72
R	H	CD1	TYR	A	35	L	H	HZ3	TRP	V	72
R	H	CE1	TYR	A	35	L	H	HZ3	TRP	V	72
R	H	CE1	TYR	A	35	L	H	HD11	LEU	V	103
R	H	OH	TYR	A	35	L	H	CG2	THR	V	99
R	H	OH	TYR	A	35	L	H	HG21	THR	V	99
R	H	OH	TYR	A	35	L	H	HG22	THR	V	99
R	H	OH	TYR	A	35	L	H	HG23	THR	V	99
R	H	OH	TYR	A	35	L	H	HD11	LEU	V	103
R	H	CZ	TYR	A	35	L	H	HG21	THR	V	99
R	H	CZ	TYR	A	35	L	H	HD11	LEU	V	103
R	H	CD1	LEU	A	36	L	H	HG21	ILE	V	71
R	H	CD1	LEU	A	36	L	H	HG23	ILE	V	71
R	H	CD1	LEU	A	36	L	H	CD1	TRP	V	72
R	H	CD1	LEU	A	36	L	H	CE2	TRP	V	72
R	H	CD1	LEU	A	36	L	H	NE1	TRP	V	72
R	H	CD1	LEU	A	36	L	H	HE1	TRP	V	72
R	H	CD2	LEU	A	36	L	H	HA	TRP	V	72
R	H	CD2	LEU	A	36	L	H	CB	SER	V	75
R	H	CD2	LEU	A	36	L	H	OG	SER	V	75
R	H	CD2	LEU	A	36	L	H	HB2	SER	V	75
R	H	CD2	LEU	A	36	L	H	HB3	SER	V	75
R	H	CG2	VAL	A	40	L	H	OH	TYR	V	35
R	H	CG2	VAL	A	40	L	H	HH	TYR	V	35
R	H	CG2	VAL	A	40	L	H	HG	SER	V	79
R	H	CA	LEU	A	43	L	H	HB1	ALA	V	83
R	H	C	LEU	A	43	L	H	HB1	ALA	V	83
R	H	C	LEU	A	43	L	H	HB3	ALA	V	83
R	H	CB	LEU	A	43	L	H	CB	ALA	V	83
R	H	CB	LEU	A	43	L	H	HB1	ALA	V	83
R	H	CB	LEU	A	43	L	H	HB3	ALA	V	83
R	H	O	LEU	A	43	L	H	CB	ALA	V	83
R	H	O	LEU	A	43	L	H	HA	ALA	V	83
R	H	O	LEU	A	43	L	H	HB1	ALA	V	83
R	H	O	LEU	A	43	L	H	HB3	ALA	V	83
R	H	CD1	LEU	A	43	L	H	HA	PRO	V	80
R	H	C	VAL	A	46	L	H	HB3	SER	V	87
R	H	CB	VAL	A	46	L	-	NH2	ARG	V	89
R	H	CB	VAL	A	46	L	-	HH21	ARG	V	89
R	H	CB	VAL	A	46	L	-	HH22	ARG	V	89
R	H	O	VAL	A	46	L	H	HG11	VAL	V	86
R	H	O	VAL	A	46	L	H	HA	SER	V	87
R	H	O	VAL	A	46	L	H	HB3	SER	V	87
R	H	CG1	VAL	A	46	L	H	CB	SER	V	87
R	H	CG1	VAL	A	46	L	H	HB2	SER	V	87
R	H	CG1	VAL	A	46	L	H	HB3	SER	V	87
R	H	CG1	VAL	A	46	L	-	NH2	ARG	V	89
R	H	CG1	VAL	A	46	L	-	CZ	ARG	V	89
R	H	CG1	VAL	A	46	L	-	HE	ARG	V	89
R	H	CG1	VAL	A	46	L	-	HH21	ARG	V	89
R	H	CG1	VAL	A	46	L	-	HH22	ARG	V	89
R	H	CG2	VAL	A	46	L	-	HH21	ARG	V	89
R	H	CG2	VAL	A	46	L	-	HH22	ARG	V	89
R	H	N	ALA	A	47	L	H	HG11	VAL	V	86
R	H	N	ALA	A	47	L	H	HG12	VAL	V	86
R	H	N	ALA	A	47	L	H	HB3	SER	V	87
R	H	CA	ALA	A	47	L	H	C	VAL	V	86
R	H	CA	ALA	A	47	L	H	CB	VAL	V	86
R	H	CA	ALA	A	47	L	H	CG1	VAL	V	86
R	H	CA	ALA	A	47	L	H	HB	VAL	V	86
R	H	CA	ALA	A	47	L	H	HG11	VAL	V	86
R	H	CA	ALA	A	47	L	H	HG12	VAL	V	86
R	H	CA	ALA	A	47	L	H	HG13	VAL	V	86
R	H	CA	ALA	A	47	L	H	N	SER	V	87
R	H	CA	ALA	A	47	L	H	H	SER	V	87
R	H	CA	ALA	A	47	L	H	HA	SER	V	87
R	H	CA	ALA	A	47	L	H	HB3	SER	V	87
R	H	C	ALA	A	47	L	H	CB	VAL	V	86
R	H	C	ALA	A	47	L	H	CG1	VAL	V	86
R	H	C	ALA	A	47	L	H	HB	VAL	V	86
R	H	C	ALA	A	47	L	H	HG11	VAL	V	86
R	H	C	ALA	A	47	L	H	HG12	VAL	V	86
R	H	C	ALA	A	47	L	H	HG13	VAL	V	86
R	H	CB	ALA	A	47	L	H	CA	ALA	V	83
R	H	CB	ALA	A	47	L	H	O	ALA	V	83
R	H	CB	ALA	A	47	L	H	HA	ALA	V	83
R	H	CB	ALA	A	47	L	H	CA	VAL	V	86
R	H	CB	ALA	A	47	L	H	CB	VAL	V	86
R	H	CB	ALA	A	47	L	H	CG1	VAL	V	86
R	H	CB	ALA	A	47	L	H	CG2	VAL	V	86
R	H	CB	ALA	A	47	L	H	HB	VAL	V	86
R	H	CB	ALA	A	47	L	H	HG11	VAL	V	86
R	H	CB	ALA	A	47	L	H	HG12	VAL	V	86
R	H	CB	ALA	A	47	L	H	HG13	VAL	V	86
R	H	CB	ALA	A	47	L	H	HG22	VAL	V	86
R	H	CB	ALA	A	47	L	H	H	SER	V	87
R	H	O	ALA	A	47	L	H	C	VAL	V	86
R	H	O	ALA	A	47	L	H	CB	VAL	V	86
R	H	O	ALA	A	47	L	H	O	VAL	V	86
R	H	O	ALA	A	47	L	H	CG1	VAL	V	86
R	H	O	ALA	A	47	L	H	HB	VAL	V	86
R	H	O	ALA	A	47	L	H	HG11	VAL	V	86
R	H	O	ALA	A	47	L	H	HG12	VAL	V	86
R	H	O	ALA	A	47	L	H	HG13	VAL	V	86
R	H	O	ALA	A	47	L	H	HA	SER	V	87
R	H	N	LEU	A	48	L	H	CG1	VAL	V	86
R	H	N	LEU	A	48	L	H	HG11	VAL	V	86
R	H	N	LEU	A	48	L	H	HG12	VAL	V	86
R	H	N	LEU	A	48	L	H	HG13	VAL	V	86
R	H	CA	LEU	A	48	L	H	CG1	VAL	V	86
R	H	CA	LEU	A	48	L	H	HG11	VAL	V	86
R	H	CA	LEU	A	48	L	H	HG12	VAL	V	86
R	H	CA	LEU	A	48	L	H	HG13	VAL	V	86
R	H	CA	TYR	A	50	L	H	HA	SER	V	87
R	H	C	TYR	A	50	L	H	O	VAL	V	86
R	H	C	TYR	A	50	L	H	HA	SER	V	87
R	H	CB	TYR	A	50	L	H	O	VAL	V	86
R	H	CB	TYR	A	50	L	H	CA	SER	V	87
R	H	CB	TYR	A	50	L	H	C	SER	V	87
R	H	CB	TYR	A	50	L	H	CB	SER	V	87
R	H	CB	TYR	A	50	L	H	O	SER	V	87
R	H	CB	TYR	A	50	L	H	HA	SER	V	87
R	H	CB	TYR	A	50	L	H	HB2	SER	V	87
R	H	CG	TYR	A	50	L	H	O	SER	V	87
R	H	CG	TYR	A	50	L	H	HA	SER	V	87
R	H	CG	TYR	A	50	L	H	HB2	SER	V	87
R	H	CG	TYR	A	50	L	-	HH12	ARG	V	89
R	H	CD1	TYR	A	50	L	-	NH1	ARG	V	89
R	H	CD1	TYR	A	50	L	-	HH12	ARG	V	89
R	H	CD2	TYR	A	50	L	H	CB	SER	V	87
R	H	CD2	TYR	A	50	L	H	HA	SER	V	87
R	H	CD2	TYR	A	50	L	H	HB2	SER	V	87
R	H	CD2	TYR	A	50	L	H	HB3	SER	V	87
R	H	CD2	TYR	A	50	L	-	NH1	ARG	V	89
R	H	CD2	TYR	A	50	L	-	NH2	ARG	V	89
R	H	CD2	TYR	A	50	L	-	CZ	ARG	V	89
R	H	CD2	TYR	A	50	L	-	HH12	ARG	V	89
R	H	CD2	TYR	A	50	L	-	HH21	ARG	V	89
R	H	CD2	TYR	A	50	L	-	HH22	ARG	V	89
R	H	CE1	TYR	A	50	L	-	NH1	ARG	V	89
R	H	CE1	TYR	A	50	L	-	HH11	ARG	V	89
R	H	CE1	TYR	A	50	L	-	HH12	ARG	V	89
R	H	CE2	TYR	A	50	L	-	NE	ARG	V	89
R	H	CE2	TYR	A	50	L	-	NH1	ARG	V	89
R	H	CE2	TYR	A	50	L	-	NH2	ARG	V	89
R	H	CE2	TYR	A	50	L	-	CZ	ARG	V	89
R	H	CE2	TYR	A	50	L	-	HH11	ARG	V	89
R	H	CE2	TYR	A	50	L	-	HH12	ARG	V	89
R	H	CE2	TYR	A	50	L	-	HH21	ARG	V	89
R	H	CE2	TYR	A	50	L	-	HH22	ARG	V	89
R	H	OH	TYR	A	50	L	-	NH1	ARG	V	89
R	H	OH	TYR	A	50	L	-	NH2	ARG	V	89
R	H	OH	TYR	A	50	L	-	CZ	ARG	V	89
R	H	OH	TYR	A	50	L	-	HH11	ARG	V	89
R	H	OH	TYR	A	50	L	-	HH12	ARG	V	89
R	H	OH	TYR	A	50	L	-	HH22	ARG	V	89
R	H	CZ	TYR	A	50	L	-	NH1	ARG	V	89
R	H	CZ	TYR	A	50	L	-	NH2	ARG	V	89
R	H	CZ	TYR	A	50	L	-	CZ	ARG	V	89
R	H	CZ	TYR	A	50	L	-	HH11	ARG	V	89
R	H	CZ	TYR	A	50	L	-	HH12	ARG	V	89
R	H	CZ	TYR	A	50	L	-	HH22	ARG	V	89
R	H	N	VAL	A	51	L	H	O	VAL	V	86
R	H	N	VAL	A	51	L	H	HG11	VAL	V	86
R	H	N	VAL	A	51	L	H	HG13	VAL	V	86
R	H	CA	VAL	A	51	L	H	O	VAL	V	86
R	H	CA	VAL	A	51	L	H	HG13	VAL	V	86
R	H	CB	VAL	A	51	L	H	O	VAL	V	86
R	H	CB	VAL	A	51	L	H	CG1	VAL	V	86
R	H	CB	VAL	A	51	L	H	HA	VAL	V	86
R	H	CB	VAL	A	51	L	H	HG11	VAL	V	86
R	H	CB	VAL	A	51	L	H	HG13	VAL	V	86
R	H	CG1	VAL	A	51	L	H	HG13	VAL	V	86
R	H	CG2	VAL	A	51	L	H	CA	VAL	V	86
R	H	CG2	VAL	A	51	L	H	C	VAL	V	86
R	H	CG2	VAL	A	51	L	H	CB	VAL	V	86
R	H	CG2	VAL	A	51	L	H	O	VAL	V	86
R	H	CG2	VAL	A	51	L	H	CG1	VAL	V	86
R	H	CG2	VAL	A	51	L	H	CG2	VAL	V	86
R	H	CG2	VAL	A	51	L	H	HA	VAL	V	86
R	H	CG2	VAL	A	51	L	H	HG11	VAL	V	86
R	H	CG2	VAL	A	51	L	H	HG12	VAL	V	86
R	H	CG2	VAL	A	51	L	H	HG13	VAL	V	86
R	H	CG2	VAL	A	51	L	H	HG23	VAL	V	86
R	H	O	GLY	A	64	L	-	HH22	ARG	V	89
R	H	O	CYS	A	72	L	H	HG	SER	V	95
R	H	SG	CYS	A	72	L	S	HG	SER	V	93
R	H	SG	CYS	A	72	L	H	HG	SER	V	95
R	H	C	CYS	A	75	L	H	HB3	SER	V	95
R	H	CB	CYS	A	75	L	H	HA3	GLY	V	96
R	H	O	CYS	A	75	L	H	HB3	SER	V	95
R	H	O	CYS	A	75	L	H	OG1	THR	V	99
R	H	O	CYS	A	75	L	H	HG1	THR	V	99
R	H	SG	CYS	A	75	L	H	HA3	GLY	V	96
R	H	N	ALA	A	76	L	H	HB3	SER	V	95
R	H	CA	ALA	A	76	L	H	HB3	SER	V	95
R	H	CA	PRO	A	79	L	H	HG22	THR	V	99
R	H	CB	PRO	A	79	L	H	CG2	THR	V	99
R	H	CB	PRO	A	79	L	H	OG1	THR	V	99
R	H	CB	PRO	A	79	L	H	HG21	THR	V	99
R	H	CB	PRO	A	79	L	H	HG22	THR	V	99
R	H	CG	PRO	A	79	L	H	CB	THR	V	99
R	H	CG	PRO	A	79	L	H	CG2	THR	V	99
R	H	CG	PRO	A	79	L	H	OG1	THR	V	99
R	H	CG	PRO	A	79	L	H	HG21	THR	V	99
R	H	CG	PRO	A	79	L	H	HG22	THR	V	99
R	H	CG	PRO	A	79	L	H	HG23	THR	V	99
R	H	CD	PRO	A	79	L	H	HG21	THR	V	99
R	H	CD	PRO	A	79	L	H	HG22	THR	V	99
R	H	CE	LYS	A	80	L	H	HE1	MET	V	157
R	H	NZ	LYS	A	80	L	H	CE	MET	V	157
R	H	NZ	LYS	A	80	L	H	HE1	MET	V	157
R	H	NZ	LYS	A	80	L	H	HE2	MET	V	157
R	H	NZ	LYS	A	80	L	H	HE3	MET	V	157
R	H	CG	LEU	A	82	L	H	HH2	TRP	V	72
R	H	CD1	LEU	A	82	L	H	CH2	TRP	V	72
R	H	CD1	LEU	A	82	L	H	CZ3	TRP	V	72
R	H	CD1	LEU	A	82	L	H	HH2	TRP	V	72
R	H	CD1	LEU	A	82	L	H	HZ3	TRP	V	72
R	H	CD2	LEU	A	82	L	H	HH2	TRP	V	72
R	H	CA	GLU	A	83	L	H	OH	TYR	V	102
R	H	CB	GLU	A	83	L	H	OH	TYR	V	102
R	H	CB	GLU	A	83	L	H	CZ	TYR	V	102
R	H	CB	GLU	A	83	L	H	HE1	TYR	V	102
R	H	CG	GLU	A	83	L	H	OH	TYR	V	102
R	H	CG	GLU	A	83	L	H	CZ	TYR	V	102
R	H	CG	GLU	A	83	L	H	HH	TYR	V	102
R	H	CD	GLU	A	83	L	H	CE2	TYR	V	102
R	H	CD	GLU	A	83	L	H	OH	TYR	V	102
R	H	CD	GLU	A	83	L	H	CZ	TYR	V	102
R	H	CD	GLU	A	83	L	H	HE2	TYR	V	102
R	H	CD	GLU	A	83	L	H	SD	MET	V	157
R	H	CD	GLU	A	83	L	H	HE2	MET	V	157
R	H	OE1	GLU	A	83	L	H	CG	MET	V	157
R	H	OE1	GLU	A	83	L	H	SD	MET	V	157
R	H	OE1	GLU	A	83	L	H	CE	MET	V	157
R	H	OE1	GLU	A	83	L	H	HB2	MET	V	157
R	H	OE1	GLU	A	83	L	H	HG2	MET	V	157
R	H	OE1	GLU	A	83	L	H	HE1	MET	V	157
R	H	OE1	GLU	A	83	L	H	HE2	MET	V	157
R	H	OE2	GLU	A	83	L	H	CE2	TYR	V	102
R	H	OE2	GLU	A	83	L	H	CZ	TYR	V	102
R	-	CA	PHE	A	86	L	H	SD	MET	V	150
R	-	C	PHE	A	86	L	H	SD	MET	V	150
R	-	C	PHE	A	86	L	H	CE	MET	V	150
R	-	C	PHE	A	86	L	H	HE1	MET	V	150
R	-	CB	PHE	A	86	L	H	SD	MET	V	150
R	-	O	PHE	A	86	L	H	SD	MET	V	150
R	-	O	PHE	A	86	L	H	CE	MET	V	150
R	-	O	PHE	A	86	L	H	HE1	MET	V	150
R	-	O	PHE	A	86	L	H	HE2	MET	V	150
R	-	O	PHE	A	86	L	H	HE3	MET	V	150
R	-	N	SER	A	87	L	H	HE1	MET	V	150
R	-	CA	SER	A	87	L	H	HE1	MET	V	150
R	-	C	SER	A	87	L	H	HE1	MET	V	150
R	-	N	GLU	A	88	L	H	HE1	MET	V	150
R	-	CG	GLU	A	88	L	H	CE	MET	V	150
R	-	CG	GLU	A	88	L	H	HE1	MET	V	150
R	-	CG	GLU	A	88	L	H	HE3	MET	V	150
R	-	CD	GLU	A	88	L	H	HE3	MET	V	150
R	-	OE1	GLU	A	88	L	H	HE3	MET	V	150
R	S	O	ILE	A	91	L	H	CE	MET	V	157
R	S	O	ILE	A	91	L	H	HE1	MET	V	157
R	S	O	ILE	A	91	L	H	HE2	MET	V	157
R	S	CB	SER	A	93	L	H	HE1	MET	V	161
R	S	OG	SER	A	93	L	H	HE1	MET	V	161
R	H	CG	TYR	A	95	L	-	CG	TRP	V	6
R	H	CG	TYR	A	95	L	-	CD1	TRP	V	6
R	H	CG	TYR	A	95	L	-	CD2	TRP	V	6
R	H	CG	TYR	A	95	L	-	CE2	TRP	V	6
R	H	CG	TYR	A	95	L	-	NE1	TRP	V	6
R	H	CD1	TYR	A	95	L	-	CG	TRP	V	6
R	H	CD1	TYR	A	95	L	-	CD1	TRP	V	6
R	H	CD1	TYR	A	95	L	-	HB2	TRP	V	6
R	H	CD1	TYR	A	95	L	-	HD1	TRP	V	6
R	H	CD2	TYR	A	95	L	-	CD1	TRP	V	6
R	H	CD2	TYR	A	95	L	-	CE2	TRP	V	6
R	H	CD2	TYR	A	95	L	-	NE1	TRP	V	6
R	H	CD2	TYR	A	95	L	-	CZ2	TRP	V	6
R	H	CD2	TYR	A	95	L	-	HZ2	TRP	V	6
R	H	CD2	TYR	A	95	L	-	HE1	TRP	V	6
R	H	CE1	TYR	A	95	L	-	CG	TRP	V	6
R	H	CE1	TYR	A	95	L	-	CD1	TRP	V	6
R	H	CE1	TYR	A	95	L	-	NE1	TRP	V	6
R	H	CE1	TYR	A	95	L	-	HB2	TRP	V	6
R	H	CE1	TYR	A	95	L	-	HD1	TRP	V	6
R	H	CE2	TYR	A	95	L	-	CD1	TRP	V	6
R	H	CE2	TYR	A	95	L	-	CE2	TRP	V	6
R	H	CE2	TYR	A	95	L	-	NE1	TRP	V	6
R	H	CE2	TYR	A	95	L	-	HD1	TRP	V	6
R	H	CE2	TYR	A	95	L	-	HE1	TRP	V	6
R	H	OH	TYR	A	95	L	-	OD1	ASN	V	5
R	H	OH	TYR	A	95	L	-	CD1	TRP	V	6
R	H	OH	TYR	A	95	L	-	HD1	TRP	V	6
R	H	OH	TYR	A	95	L	-	HE1	TRP	V	6
R	H	CZ	TYR	A	95	L	-	CD1	TRP	V	6
R	H	CZ	TYR	A	95	L	-	NE1	TRP	V	6
R	H	CZ	TYR	A	95	L	-	HD1	TRP	V	6
R	H	CZ	TYR	A	95	L	-	HE1	TRP	V	6
R	H	OE1	GLU	A	96	L	H	HE1	MET	V	157
R	H	OE1	GLU	A	96	L	H	SD	MET	V	161
R	H	OE2	GLU	A	96	L	H	HE1	MET	V	161
R	H	CE1	TYR	A	102	L	-	HD3	LYS	V	10
R	H	CE1	TYR	A	102	L	-	HE2	LYS	V	10
R	H	CE2	TYR	A	102	L	-	HE2	LYS	V	10
R	H	CE2	TYR	A	102	L	-	HZ2	LYS	V	10
R	H	OH	TYR	A	102	L	-	CD	LYS	V	10
R	H	OH	TYR	A	102	L	-	CE	LYS	V	10
R	H	OH	TYR	A	102	L	-	NZ	LYS	V	10
R	H	OH	TYR	A	102	L	-	HD3	LYS	V	10
R	H	OH	TYR	A	102	L	-	HE2	LYS	V	10
R	H	OH	TYR	A	102	L	-	HZ1	LYS	V	10
R	H	OH	TYR	A	102	L	-	HZ2	LYS	V	10
R	H	OH	TYR	A	102	L	-	HZ3	LYS	V	10
R	H	CZ	TYR	A	102	L	-	CE	LYS	V	10
R	H	CZ	TYR	A	102	L	-	NZ	LYS	V	10
R	H	CZ	TYR	A	102	L	-	HD3	LYS	V	10
R	H	CZ	TYR	A	102	L	-	HE2	LYS	V	10
R	H	CZ	TYR	A	102	L	-	HZ1	LYS	V	10
R	H	CZ	TYR	A	102	L	-	HZ2	LYS	V	10
R	H	CB	PHE	A	103	L	H	HG	SER	V	95
R	H	CG	PHE	A	103	L	H	OG	SER	V	95
R	H	CG	PHE	A	103	L	H	HB2	SER	V	95
R	H	CG	PHE	A	103	L	H	HG	SER	V	95
R	H	CD1	PHE	A	103	L	H	OG	SER	V	95
R	H	CD1	PHE	A	103	L	H	HG	SER	V	95
R	H	CD2	PHE	A	103	L	H	CB	SER	V	95
R	H	CD2	PHE	A	103	L	H	OG	SER	V	95
R	H	CD2	PHE	A	103	L	H	HB2	SER	V	95
R	H	CD2	PHE	A	103	L	H	HG	SER	V	95
R	H	CE1	PHE	A	103	L	S	HB2	SER	V	93
R	H	CE1	PHE	A	103	L	H	OG	SER	V	95
R	H	CE1	PHE	A	103	L	H	H	SER	V	95
R	H	CE1	PHE	A	103	L	H	HG	SER	V	95
R	H	CE2	PHE	A	103	L	H	HB3	PHE	V	94
R	H	CE2	PHE	A	103	L	H	HD1	PHE	V	94
R	H	CE2	PHE	A	103	L	H	N	SER	V	95
R	H	CE2	PHE	A	103	L	H	CB	SER	V	95
R	H	CE2	PHE	A	103	L	H	OG	SER	V	95
R	H	CE2	PHE	A	103	L	H	H	SER	V	95
R	H	CE2	PHE	A	103	L	H	HB2	SER	V	95
R	H	CE2	PHE	A	103	L	H	HG	SER	V	95
R	H	CZ	PHE	A	103	L	S	HB2	SER	V	93
R	H	CZ	PHE	A	103	L	H	H	PHE	V	94
R	H	CZ	PHE	A	103	L	H	HB3	PHE	V	94
R	H	CZ	PHE	A	103	L	H	OG	SER	V	95
R	H	CZ	PHE	A	103	L	H	H	SER	V	95
R	H	CZ	PHE	A	103	L	H	HB2	SER	V	95
R	H	CZ	PHE	A	103	L	H	HG	SER	V	95
R	H	CB	ASN	A	153	L	-	HZ2	LYS	V	10
R	H	CG	ASN	A	153	L	-	HZ2	LYS	V	10
R	H	OD1	ASN	A	153	L	-	NZ	LYS	V	10
R	H	OD1	ASN	A	153	L	-	HD3	LYS	V	10
R	H	OD1	ASN	A	153	L	-	HZ1	LYS	V	10
R	H	OD1	ASN	A	153	L	-	HZ2	LYS	V	10
R	H	OD1	ASN	A	153	L	-	HZ3	LYS	V	10
R	H	CG	MET	A	157	L	-	HZ1	LYS	V	10
R	H	SD	MET	A	157	L	-	NZ	LYS	V	10
R	H	SD	MET	A	157	L	-	HZ1	LYS	V	10
R	H	CE	MET	A	157	L	-	HZ1	LYS	V	10
R	H	CD1	TYR	A	305	L	H	HD11	LEU	V	36
R	H	CD2	TYR	A	305	L	H	CD2	LEU	V	32
R	H	CD2	TYR	A	305	L	H	HG	LEU	V	32
R	H	CD2	TYR	A	305	L	H	HD21	LEU	V	32
R	H	CD2	TYR	A	305	L	H	HD22	LEU	V	32
R	H	CE1	TYR	A	305	L	H	HD13	LEU	V	33
R	H	CE1	TYR	A	305	L	H	CD1	LEU	V	36
R	H	CE1	TYR	A	305	L	H	HD11	LEU	V	36
R	H	CE1	TYR	A	305	L	H	HD12	LEU	V	36
R	H	CE2	TYR	A	305	L	H	CD2	LEU	V	32
R	H	CE2	TYR	A	305	L	H	HB3	LEU	V	32
R	H	CE2	TYR	A	305	L	H	HG	LEU	V	32
R	H	CE2	TYR	A	305	L	H	HD21	LEU	V	32
R	H	CE2	TYR	A	305	L	H	HD22	LEU	V	32
R	H	CE2	TYR	A	305	L	H	HA	LEU	V	33
R	H	CE2	TYR	A	305	L	H	HB2	LEU	V	33
R	H	CE2	TYR	A	305	L	H	HD13	LEU	V	33
R	H	CE2	TYR	A	305	L	H	HD11	LEU	V	36
R	H	OH	TYR	A	305	L	H	N	LEU	V	33
R	H	OH	TYR	A	305	L	H	CA	LEU	V	33
R	H	OH	TYR	A	305	L	H	CB	LEU	V	33
R	H	OH	TYR	A	305	L	H	CG	LEU	V	33
R	H	OH	TYR	A	305	L	H	CD1	LEU	V	33
R	H	OH	TYR	A	305	L	H	HA	LEU	V	33
R	H	OH	TYR	A	305	L	H	HB2	LEU	V	33
R	H	OH	TYR	A	305	L	H	HD11	LEU	V	33
R	H	OH	TYR	A	305	L	H	HD12	LEU	V	33
R	H	OH	TYR	A	305	L	H	HD13	LEU	V	33
R	H	OH	TYR	A	305	L	H	CD1	LEU	V	36
R	H	OH	TYR	A	305	L	H	HB2	LEU	V	36
R	H	OH	TYR	A	305	L	H	HD11	LEU	V	36
R	H	OH	TYR	A	305	L	H	HD12	LEU	V	36
R	H	CZ	TYR	A	305	L	H	HG	LEU	V	32
R	H	CZ	TYR	A	305	L	H	CD1	LEU	V	33
R	H	CZ	TYR	A	305	L	H	HA	LEU	V	33
R	H	CZ	TYR	A	305	L	H	HB2	LEU	V	33
R	H	CZ	TYR	A	305	L	H	HD11	LEU	V	33
R	H	CZ	TYR	A	305	L	H	HD13	LEU	V	33
R	H	CZ	TYR	A	305	L	H	CD1	LEU	V	36
R	H	CZ	TYR	A	305	L	H	HD11	LEU	V	36
R	H	CZ	TYR	A	305	L	H	HD12	LEU	V	36
R	H	CZ	TYR	A	305	L	H	HD13	LEU	V	36
R	H	CG	LYS	A	309	L	H	HD13	LEU	V	33
R	H	CD	LYS	A	309	L	H	HD12	LEU	V	33
R	H	CD	LYS	A	309	L	H	HD13	LEU	V	33
R	H	CE	LYS	A	309	L	H	CD1	LEU	V	33
R	H	CE	LYS	A	309	L	H	HD12	LEU	V	33
R	H	CE	LYS	A	309	L	H	HD13	LEU	V	33
R	H	NZ	LYS	A	309	L	H	HD12	LEU	V	33

- 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