IID

A6NMS3_Q8NGG3.1 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	CYS	A	102	L	H	LEU	V	68
R	H	THR	A	105	L	H	CYS	V	75
R	H	PRO	A	109	L	H	TYR	V	35
R	H	PRO	A	109	L	H	CYS	V	75
R	H	PRO	A	109	L	H	PRO	V	79
R	H	LYS	A	110	L	H	LEU	V	36
R	H	VAL	A	113	L	H	PRO	V	79
R	H	VAL	A	113	L	H	LEU	V	82
R	H	LEU	A	116	L	H	GLU	V	83
R	H	LEU	A	116	L	-	PHE	V	86
R	-	ALA	A	117	L	H	PHE	V	28
R	S	SER	A	123	L	H	VAL	V	40
R	H	PHE	A	124	L	H	TYR	V	305
R	H	ILE	A	125	L	H	VAL	V	40
R	H	GLY	A	126	L	H	VAL	V	40
R	H	THR	A	129	L	H	LEU	V	43
R	H	LEU	A	132	L	H	ALA	V	47
R	H	LEU	A	133	L	H	LEU	V	43
R	H	LEU	A	133	L	H	ALA	V	47
R	H	ILE	A	183	L	H	VAL	V	51
R	H	VAL	A	191	L	H	LEU	V	308
R	H	ALA	A	192	L	H	CYS	V	312
R	H	PHE	A	194	L	H	TYR	V	305
R	-	SER	A	195	L	H	LEU	V	308
R	-	SER	A	195	L	H	LYS	V	309
R	-	SER	A	195	L	H	CYS	V	312
R	-	LEU	A	196	L	H	CYS	V	312
R	-	LEU	A	196	L	H	ASN	V	316
R	-	SER	A	220	L	H	ASN	V	316
R	-	ASP	A	221	L	H	ASN	V	316
R	-	ASP	A	221	L	-	LEU	V	319
R	H	THR	A	224	L	-	LEU	V	319
R	H	MET	A	334	L	H	LEU	V	154
R	H	MET	A	334	L	H	MET	V	157
R	H	VAL	A	338	L	H	MET	V	157
R	H	VAL	A	338	L	H	ILE	V	158
R	H	VAL	A	338	L	H	GLY	V	161
R	H	VAL	A	338	L	H	LEU	V	162
R	-	TYR	A	339	L	H	GLY	V	161
R	-	TYR	A	339	L	H	LEU	V	164
R	-	TYR	A	339	L	H	ARG	V	165
R	-	GLU	A	38	L	H	LYS	V	309
R	H	PHE	A	58	L	H	LYS	V	80
R	H	PHE	A	58	L	H	GLU	V	83
R	H	PHE	A	62	L	H	LYS	V	80
R	H	PHE	A	62	L	H	GLU	V	96
R	H	TYR	A	65	L	H	CYS	V	75
R	H	LEU	A	66	L	H	GLU	V	96
R	H	LEU	A	66	L	H	ALA	V	99
R	H	LEU	A	69	L	H	PHE	V	103
R	H	ILE	A	70	L	H	PHE	V	103
R	H	ILE	A	70	L	H	ALA	V	99
R	H	LEU	A	73	L	H	TYR	V	102
R	H	LEU	A	73	L	H	PHE	V	103
R	H	LEU	A	73	L	H	LEU	V	106
R	H	LEU	A	73	L	H	ASN	V	153
R	H	VAL	A	77	L	H	TYR	V	102
R	H	VAL	A	77	L	H	ASN	V	153
R	H	VAL	A	77	L	H	MET	V	157
R	H	ILE	A	80	L	H	THR	V	146
R	H	ILE	A	80	L	H	LYS	V	150
R	H	GLU	A	81	L	H	LYS	V	150
R	H	GLU	A	81	L	H	LEU	V	154
R	H	PHE	A	98	L	H	LEU	V	68

- 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_Q8NGG3.1 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	-	CB	GLU	A	38	L	H	HZ1	LYS	V	309
R	-	CG	GLU	A	38	L	H	NZ	LYS	V	309
R	-	CG	GLU	A	38	L	H	HZ1	LYS	V	309
R	-	CG	GLU	A	38	L	H	HZ2	LYS	V	309
R	-	CG	GLU	A	38	L	H	HZ3	LYS	V	309
R	-	CD	GLU	A	38	L	H	NZ	LYS	V	309
R	-	CD	GLU	A	38	L	H	HZ1	LYS	V	309
R	-	CD	GLU	A	38	L	H	HZ2	LYS	V	309
R	-	CD	GLU	A	38	L	H	HZ3	LYS	V	309
R	-	OE1	GLU	A	38	L	H	CE	LYS	V	309
R	-	OE1	GLU	A	38	L	H	NZ	LYS	V	309
R	-	OE1	GLU	A	38	L	H	HD2	LYS	V	309
R	-	OE1	GLU	A	38	L	H	HE2	LYS	V	309
R	-	OE1	GLU	A	38	L	H	HZ1	LYS	V	309
R	-	OE1	GLU	A	38	L	H	HZ2	LYS	V	309
R	-	OE1	GLU	A	38	L	H	HZ3	LYS	V	309
R	-	OE2	GLU	A	38	L	H	NZ	LYS	V	309
R	-	OE2	GLU	A	38	L	H	HZ1	LYS	V	309
R	-	OE2	GLU	A	38	L	H	HZ2	LYS	V	309
R	-	OE2	GLU	A	38	L	H	HZ3	LYS	V	309
R	H	CD1	PHE	A	58	L	H	CD	GLU	V	83
R	H	CD1	PHE	A	58	L	H	OE1	GLU	V	83
R	H	CD1	PHE	A	58	L	H	OE2	GLU	V	83
R	H	CD2	PHE	A	58	L	H	OE2	GLU	V	83
R	H	CE1	PHE	A	58	L	H	NZ	LYS	V	80
R	H	CE1	PHE	A	58	L	H	HZ2	LYS	V	80
R	H	CE1	PHE	A	58	L	H	HZ3	LYS	V	80
R	H	CE1	PHE	A	58	L	H	CG	GLU	V	83
R	H	CE1	PHE	A	58	L	H	CD	GLU	V	83
R	H	CE1	PHE	A	58	L	H	OE1	GLU	V	83
R	H	CE1	PHE	A	58	L	H	OE2	GLU	V	83
R	H	CE1	PHE	A	58	L	H	HG3	GLU	V	83
R	H	CE2	PHE	A	58	L	H	CD	GLU	V	83
R	H	CE2	PHE	A	58	L	H	OE2	GLU	V	83
R	H	CE2	PHE	A	58	L	H	HB2	GLU	V	83
R	H	CE2	PHE	A	58	L	H	HG3	GLU	V	83
R	H	CZ	PHE	A	58	L	H	HD3	LYS	V	80
R	H	CZ	PHE	A	58	L	H	HZ2	LYS	V	80
R	H	CZ	PHE	A	58	L	H	CG	GLU	V	83
R	H	CZ	PHE	A	58	L	H	CD	GLU	V	83
R	H	CZ	PHE	A	58	L	H	OE1	GLU	V	83
R	H	CZ	PHE	A	58	L	H	OE2	GLU	V	83
R	H	CZ	PHE	A	58	L	H	HB2	GLU	V	83
R	H	CZ	PHE	A	58	L	H	HG3	GLU	V	83
R	H	CB	PHE	A	62	L	H	OE1	GLU	V	96
R	H	CG	PHE	A	62	L	H	OE1	GLU	V	96
R	H	CG	PHE	A	62	L	H	HG2	GLU	V	96
R	H	CD1	PHE	A	62	L	H	CG	GLU	V	96
R	H	CD1	PHE	A	62	L	H	CD	GLU	V	96
R	H	CD1	PHE	A	62	L	H	OE1	GLU	V	96
R	H	CD1	PHE	A	62	L	H	OE2	GLU	V	96
R	H	CD1	PHE	A	62	L	H	HG2	GLU	V	96
R	H	CE1	PHE	A	62	L	H	HD3	LYS	V	80
R	H	CE1	PHE	A	62	L	H	CB	GLU	V	96
R	H	CE1	PHE	A	62	L	H	CG	GLU	V	96
R	H	CE1	PHE	A	62	L	H	CD	GLU	V	96
R	H	CE1	PHE	A	62	L	H	OE1	GLU	V	96
R	H	CE1	PHE	A	62	L	H	OE2	GLU	V	96
R	H	CE1	PHE	A	62	L	H	HB2	GLU	V	96
R	H	CE1	PHE	A	62	L	H	HB3	GLU	V	96
R	H	CE1	PHE	A	62	L	H	HG2	GLU	V	96
R	H	CE1	PHE	A	62	L	H	HG3	GLU	V	96
R	H	CE2	PHE	A	62	L	H	HG2	GLU	V	96
R	H	CZ	PHE	A	62	L	H	HB2	LYS	V	80
R	H	CZ	PHE	A	62	L	H	HD3	LYS	V	80
R	H	CZ	PHE	A	62	L	H	CB	GLU	V	96
R	H	CZ	PHE	A	62	L	H	CG	GLU	V	96
R	H	CZ	PHE	A	62	L	H	CD	GLU	V	96
R	H	CZ	PHE	A	62	L	H	OE1	GLU	V	96
R	H	CZ	PHE	A	62	L	H	HB2	GLU	V	96
R	H	CZ	PHE	A	62	L	H	HG2	GLU	V	96
R	H	OH	TYR	A	65	L	H	CB	CYS	V	75
R	H	OH	TYR	A	65	L	H	HB2	CYS	V	75
R	H	CA	LEU	A	66	L	H	HB1	ALA	V	99
R	H	CB	LEU	A	66	L	H	CB	ALA	V	99
R	H	CB	LEU	A	66	L	H	HB1	ALA	V	99
R	H	CB	LEU	A	66	L	H	HB2	ALA	V	99
R	H	CB	LEU	A	66	L	H	HB3	ALA	V	99
R	H	CG	LEU	A	66	L	H	HA	GLU	V	96
R	H	CG	LEU	A	66	L	H	HG2	GLU	V	96
R	H	CG	LEU	A	66	L	H	CB	ALA	V	99
R	H	CG	LEU	A	66	L	H	HB1	ALA	V	99
R	H	CG	LEU	A	66	L	H	HB2	ALA	V	99
R	H	CG	LEU	A	66	L	H	HB3	ALA	V	99
R	H	CD1	LEU	A	66	L	H	N	GLU	V	96
R	H	CD1	LEU	A	66	L	H	CA	GLU	V	96
R	H	CD1	LEU	A	66	L	H	CB	GLU	V	96
R	H	CD1	LEU	A	66	L	H	CG	GLU	V	96
R	H	CD1	LEU	A	66	L	H	HA	GLU	V	96
R	H	CD1	LEU	A	66	L	H	HB2	GLU	V	96
R	H	CD1	LEU	A	66	L	H	HG2	GLU	V	96
R	H	CD1	LEU	A	66	L	H	HG3	GLU	V	96
R	H	CD1	LEU	A	66	L	H	CB	ALA	V	99
R	H	CD1	LEU	A	66	L	H	HB2	ALA	V	99
R	H	CD1	LEU	A	66	L	H	HB3	ALA	V	99
R	H	CD2	LEU	A	66	L	H	HA	GLU	V	96
R	H	CD2	LEU	A	66	L	H	CB	ALA	V	99
R	H	CD2	LEU	A	66	L	H	HB1	ALA	V	99
R	H	CD2	LEU	A	66	L	H	HB2	ALA	V	99
R	H	CD2	LEU	A	66	L	H	HB3	ALA	V	99
R	H	N	LEU	A	69	L	H	HZ	PHE	V	103
R	H	CA	LEU	A	69	L	H	CZ	PHE	V	103
R	H	CA	LEU	A	69	L	H	HE2	PHE	V	103
R	H	CA	LEU	A	69	L	H	HZ	PHE	V	103
R	H	C	LEU	A	69	L	H	CZ	PHE	V	103
R	H	C	LEU	A	69	L	H	HZ	PHE	V	103
R	H	CB	LEU	A	69	L	H	CE1	PHE	V	103
R	H	CB	LEU	A	69	L	H	CE2	PHE	V	103
R	H	CB	LEU	A	69	L	H	CZ	PHE	V	103
R	H	CB	LEU	A	69	L	H	HE2	PHE	V	103
R	H	CB	LEU	A	69	L	H	HZ	PHE	V	103
R	H	O	LEU	A	69	L	H	CZ	PHE	V	103
R	H	O	LEU	A	69	L	H	HZ	PHE	V	103
R	H	CG	LEU	A	69	L	H	CE2	PHE	V	103
R	H	CG	LEU	A	69	L	H	CZ	PHE	V	103
R	H	CG	LEU	A	69	L	H	HE2	PHE	V	103
R	H	CG	LEU	A	69	L	H	HZ	PHE	V	103
R	H	CD1	LEU	A	69	L	H	CD2	PHE	V	103
R	H	CD1	LEU	A	69	L	H	CE1	PHE	V	103
R	H	CD1	LEU	A	69	L	H	CE2	PHE	V	103
R	H	CD1	LEU	A	69	L	H	CZ	PHE	V	103
R	H	CD1	LEU	A	69	L	H	HE2	PHE	V	103
R	H	CD1	LEU	A	69	L	H	HZ	PHE	V	103
R	H	CD2	LEU	A	69	L	H	CZ	PHE	V	103
R	H	CD2	LEU	A	69	L	H	HZ	PHE	V	103
R	H	N	ILE	A	70	L	H	HZ	PHE	V	103
R	H	CG1	ILE	A	70	L	H	CB	ALA	V	99
R	H	CG1	ILE	A	70	L	H	HA	ALA	V	99
R	H	CG1	ILE	A	70	L	H	HB1	ALA	V	99
R	H	CG1	ILE	A	70	L	H	HB2	ALA	V	99
R	H	CD1	ILE	A	70	L	H	CA	ALA	V	99
R	H	CD1	ILE	A	70	L	H	CB	ALA	V	99
R	H	CD1	ILE	A	70	L	H	HA	ALA	V	99
R	H	CD1	ILE	A	70	L	H	HB1	ALA	V	99
R	H	CD1	ILE	A	70	L	H	HB2	ALA	V	99
R	H	CB	LEU	A	73	L	H	OH	TYR	V	102
R	H	CB	LEU	A	73	L	H	HE1	TYR	V	102
R	H	CB	LEU	A	73	L	H	HE1	PHE	V	103
R	H	O	LEU	A	73	L	H	OD1	ASN	V	153
R	H	CG	LEU	A	73	L	H	HE1	TYR	V	102
R	H	CG	LEU	A	73	L	H	CE1	PHE	V	103
R	H	CG	LEU	A	73	L	H	HE1	PHE	V	103
R	H	CG	LEU	A	73	L	H	HZ	PHE	V	103
R	H	CD1	LEU	A	73	L	H	HE1	TYR	V	102
R	H	CD1	LEU	A	73	L	H	CD1	PHE	V	103
R	H	CD1	LEU	A	73	L	H	CE1	PHE	V	103
R	H	CD1	LEU	A	73	L	H	CZ	PHE	V	103
R	H	CD1	LEU	A	73	L	H	HD1	PHE	V	103
R	H	CD1	LEU	A	73	L	H	HE1	PHE	V	103
R	H	CD1	LEU	A	73	L	H	HZ	PHE	V	103
R	H	CD1	LEU	A	73	L	H	HD21	LEU	V	106
R	H	CD2	LEU	A	73	L	H	HE1	PHE	V	103
R	H	CA	VAL	A	77	L	H	HB2	ASN	V	153
R	H	CB	VAL	A	77	L	H	CB	ASN	V	153
R	H	CB	VAL	A	77	L	H	CG	ASN	V	153
R	H	CB	VAL	A	77	L	H	OD1	ASN	V	153
R	H	CB	VAL	A	77	L	H	HB2	ASN	V	153
R	H	CB	VAL	A	77	L	H	HB3	ASN	V	153
R	H	CB	VAL	A	77	L	H	SD	MET	V	157
R	H	CG1	VAL	A	77	L	H	CB	ASN	V	153
R	H	CG1	VAL	A	77	L	H	HB2	ASN	V	153
R	H	CG1	VAL	A	77	L	H	HB3	ASN	V	153
R	H	CG1	VAL	A	77	L	H	SD	MET	V	157
R	H	CG2	VAL	A	77	L	H	HH	TYR	V	102
R	H	CG2	VAL	A	77	L	H	CA	ASN	V	153
R	H	CG2	VAL	A	77	L	H	CB	ASN	V	153
R	H	CG2	VAL	A	77	L	H	CG	ASN	V	153
R	H	CG2	VAL	A	77	L	H	ND2	ASN	V	153
R	H	CG2	VAL	A	77	L	H	OD1	ASN	V	153
R	H	CG2	VAL	A	77	L	H	HB2	ASN	V	153
R	H	CG2	VAL	A	77	L	H	HB3	ASN	V	153
R	H	CG2	VAL	A	77	L	H	HD21	ASN	V	153
R	H	CG2	VAL	A	77	L	H	HD22	ASN	V	153
R	H	N	ILE	A	80	L	H	HE3	LYS	V	150
R	H	CA	ILE	A	80	L	H	CE	LYS	V	150
R	H	CA	ILE	A	80	L	H	NZ	LYS	V	150
R	H	CA	ILE	A	80	L	H	HE2	LYS	V	150
R	H	CA	ILE	A	80	L	H	HE3	LYS	V	150
R	H	CA	ILE	A	80	L	H	HZ1	LYS	V	150
R	H	CA	ILE	A	80	L	H	HZ3	LYS	V	150
R	H	C	ILE	A	80	L	H	CE	LYS	V	150
R	H	C	ILE	A	80	L	H	NZ	LYS	V	150
R	H	C	ILE	A	80	L	H	HE3	LYS	V	150
R	H	C	ILE	A	80	L	H	HZ1	LYS	V	150
R	H	C	ILE	A	80	L	H	HZ3	LYS	V	150
R	H	CB	ILE	A	80	L	H	CG	LYS	V	150
R	H	CB	ILE	A	80	L	H	CD	LYS	V	150
R	H	CB	ILE	A	80	L	H	CE	LYS	V	150
R	H	CB	ILE	A	80	L	H	NZ	LYS	V	150
R	H	CB	ILE	A	80	L	H	HG2	LYS	V	150
R	H	CB	ILE	A	80	L	H	HG3	LYS	V	150
R	H	CB	ILE	A	80	L	H	HD3	LYS	V	150
R	H	CB	ILE	A	80	L	H	HE2	LYS	V	150
R	H	CB	ILE	A	80	L	H	HE3	LYS	V	150
R	H	CB	ILE	A	80	L	H	HZ1	LYS	V	150
R	H	CB	ILE	A	80	L	H	HZ3	LYS	V	150
R	H	O	ILE	A	80	L	H	CE	LYS	V	150
R	H	O	ILE	A	80	L	H	NZ	LYS	V	150
R	H	O	ILE	A	80	L	H	HD3	LYS	V	150
R	H	O	ILE	A	80	L	H	HE3	LYS	V	150
R	H	O	ILE	A	80	L	H	HZ1	LYS	V	150
R	H	O	ILE	A	80	L	H	HZ3	LYS	V	150
R	H	CG1	ILE	A	80	L	H	CG	LYS	V	150
R	H	CG1	ILE	A	80	L	H	CE	LYS	V	150
R	H	CG1	ILE	A	80	L	H	HG2	LYS	V	150
R	H	CG1	ILE	A	80	L	H	HG3	LYS	V	150
R	H	CG1	ILE	A	80	L	H	HE2	LYS	V	150
R	H	CG1	ILE	A	80	L	H	HE3	LYS	V	150
R	H	CG2	ILE	A	80	L	H	CB	LYS	V	150
R	H	CG2	ILE	A	80	L	H	CG	LYS	V	150
R	H	CG2	ILE	A	80	L	H	CD	LYS	V	150
R	H	CG2	ILE	A	80	L	H	CE	LYS	V	150
R	H	CG2	ILE	A	80	L	H	NZ	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HB2	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HG2	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HG3	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HD2	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HD3	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HE2	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HE3	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HZ1	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HZ2	LYS	V	150
R	H	CG2	ILE	A	80	L	H	HZ3	LYS	V	150
R	H	CD1	ILE	A	80	L	H	HG23	THR	V	146
R	H	CD1	ILE	A	80	L	H	CG	LYS	V	150
R	H	CD1	ILE	A	80	L	H	CE	LYS	V	150
R	H	CD1	ILE	A	80	L	H	HG2	LYS	V	150
R	H	CD1	ILE	A	80	L	H	HG3	LYS	V	150
R	H	CD1	ILE	A	80	L	H	HE2	LYS	V	150
R	H	CD1	ILE	A	80	L	H	HE3	LYS	V	150
R	H	N	GLU	A	81	L	H	HE3	LYS	V	150
R	H	CD	GLU	A	81	L	H	HB2	LYS	V	150
R	H	CD	GLU	A	81	L	H	HD3	LYS	V	150
R	H	CD	GLU	A	81	L	H	HB2	LEU	V	154
R	H	CD	GLU	A	81	L	H	HD23	LEU	V	154
R	H	OE1	GLU	A	81	L	H	C	LYS	V	150
R	H	OE1	GLU	A	81	L	H	CB	LYS	V	150
R	H	OE1	GLU	A	81	L	H	O	LYS	V	150
R	H	OE1	GLU	A	81	L	H	CG	LYS	V	150
R	H	OE1	GLU	A	81	L	H	HA	LYS	V	150
R	H	OE1	GLU	A	81	L	H	HB2	LYS	V	150
R	H	OE1	GLU	A	81	L	H	HG2	LYS	V	150
R	H	OE1	GLU	A	81	L	H	HD3	LYS	V	150
R	H	OE1	GLU	A	81	L	H	HB2	LEU	V	154
R	H	OE1	GLU	A	81	L	H	HD23	LEU	V	154
R	H	OE2	GLU	A	81	L	H	HD23	LEU	V	154
R	H	CE2	PHE	A	98	L	H	HD23	LEU	V	68
R	H	CZ	PHE	A	98	L	H	CD2	LEU	V	68
R	H	CZ	PHE	A	98	L	H	HD22	LEU	V	68
R	H	CZ	PHE	A	98	L	H	HD23	LEU	V	68
R	H	SG	CYS	A	102	L	H	HD12	LEU	V	68
R	H	CG2	THR	A	105	L	H	SG	CYS	V	75
R	H	CG2	THR	A	105	L	H	HG	CYS	V	75
R	H	CB	PRO	A	109	L	H	OH	TYR	V	35
R	H	CB	PRO	A	109	L	H	HH	TYR	V	35
R	H	CB	PRO	A	109	L	H	HG2	PRO	V	79
R	H	O	PRO	A	109	L	H	HB3	PRO	V	79
R	H	CG	PRO	A	109	L	H	SG	CYS	V	75
R	H	CG	PRO	A	109	L	H	HB2	CYS	V	75
R	H	CD	LYS	A	110	L	H	HD22	LEU	V	36
R	H	CE	LYS	A	110	L	H	HD22	LEU	V	36
R	H	NZ	LYS	A	110	L	H	HD22	LEU	V	36
R	H	CG2	VAL	A	113	L	H	CB	PRO	V	79
R	H	CG2	VAL	A	113	L	H	HA	PRO	V	79
R	H	CG2	VAL	A	113	L	H	HB3	PRO	V	79
R	H	CG2	VAL	A	113	L	H	HG3	PRO	V	79
R	H	CG2	VAL	A	113	L	H	HD11	LEU	V	82
R	H	CB	LEU	A	116	L	H	HA	GLU	V	83
R	H	CB	LEU	A	116	L	H	HG3	GLU	V	83
R	H	O	LEU	A	116	L	-	HB3	PHE	V	86
R	H	CG	LEU	A	116	L	H	CG	GLU	V	83
R	H	CG	LEU	A	116	L	H	HG3	GLU	V	83
R	H	CD1	LEU	A	116	L	H	CA	GLU	V	83
R	H	CD1	LEU	A	116	L	H	CB	GLU	V	83
R	H	CD1	LEU	A	116	L	H	CG	GLU	V	83
R	H	CD1	LEU	A	116	L	H	CD	GLU	V	83
R	H	CD1	LEU	A	116	L	H	OE1	GLU	V	83
R	H	CD1	LEU	A	116	L	H	OE2	GLU	V	83
R	H	CD1	LEU	A	116	L	H	HA	GLU	V	83
R	H	CD1	LEU	A	116	L	H	HB2	GLU	V	83
R	H	CD1	LEU	A	116	L	H	HB3	GLU	V	83
R	H	CD1	LEU	A	116	L	H	HG2	GLU	V	83
R	H	CD1	LEU	A	116	L	H	HG3	GLU	V	83
R	H	CD2	LEU	A	116	L	H	HG3	GLU	V	83
R	-	CA	ALA	A	117	L	H	HZ	PHE	V	28
R	-	CB	ALA	A	117	L	H	CZ	PHE	V	28
R	-	CB	ALA	A	117	L	H	HZ	PHE	V	28
R	S	OG	SER	A	123	L	H	HG23	VAL	V	40
R	H	CD1	PHE	A	124	L	H	HH	TYR	V	305
R	H	CE1	PHE	A	124	L	H	OH	TYR	V	305
R	H	CE1	PHE	A	124	L	H	CZ	TYR	V	305
R	H	CE1	PHE	A	124	L	H	HH	TYR	V	305
R	H	CE2	PHE	A	124	L	H	HH	TYR	V	305
R	H	CZ	PHE	A	124	L	H	OH	TYR	V	305
R	H	CZ	PHE	A	124	L	H	HH	TYR	V	305
R	H	CG2	ILE	A	125	L	H	HG12	VAL	V	40
R	H	CG2	ILE	A	125	L	H	HG13	VAL	V	40
R	H	N	GLY	A	126	L	H	HG22	VAL	V	40
R	H	CA	GLY	A	126	L	H	HG22	VAL	V	40
R	H	CA	GLY	A	126	L	H	HG23	VAL	V	40
R	H	CG2	THR	A	129	L	H	HB2	LEU	V	43
R	H	CG2	THR	A	129	L	H	HB3	LEU	V	43
R	H	CD2	LEU	A	132	L	H	HB1	ALA	V	47
R	H	CD1	LEU	A	133	L	H	HB3	LEU	V	43
R	H	CD1	LEU	A	133	L	H	HD12	LEU	V	43
R	H	CD1	LEU	A	133	L	H	HD22	LEU	V	43
R	H	CD2	LEU	A	133	L	H	HB3	ALA	V	47
R	H	CG2	ILE	A	183	L	H	HG23	VAL	V	51
R	H	CA	VAL	A	191	L	H	HD22	LEU	V	308
R	H	C	VAL	A	191	L	H	HD22	LEU	V	308
R	H	CB	VAL	A	191	L	H	CD2	LEU	V	308
R	H	CB	VAL	A	191	L	H	HD13	LEU	V	308
R	H	CB	VAL	A	191	L	H	HD22	LEU	V	308
R	H	CB	VAL	A	191	L	H	HD23	LEU	V	308
R	H	O	VAL	A	191	L	H	HD22	LEU	V	308
R	H	CG1	VAL	A	191	L	H	CB	LEU	V	308
R	H	CG1	VAL	A	191	L	H	CG	LEU	V	308
R	H	CG1	VAL	A	191	L	H	CD1	LEU	V	308
R	H	CG1	VAL	A	191	L	H	CD2	LEU	V	308
R	H	CG1	VAL	A	191	L	H	HB3	LEU	V	308
R	H	CG1	VAL	A	191	L	H	HD12	LEU	V	308
R	H	CG1	VAL	A	191	L	H	HD13	LEU	V	308
R	H	CG1	VAL	A	191	L	H	HD21	LEU	V	308
R	H	CG1	VAL	A	191	L	H	HD22	LEU	V	308
R	H	CG1	VAL	A	191	L	H	HD23	LEU	V	308
R	H	CG2	VAL	A	191	L	H	HD13	LEU	V	308
R	H	CG2	VAL	A	191	L	H	HD22	LEU	V	308
R	H	O	ALA	A	192	L	H	HG	CYS	V	312
R	H	CA	PHE	A	194	L	H	OH	TYR	V	305
R	H	CA	PHE	A	194	L	H	HE2	TYR	V	305
R	H	C	PHE	A	194	L	H	OH	TYR	V	305
R	H	C	PHE	A	194	L	H	HE2	TYR	V	305
R	H	CB	PHE	A	194	L	H	CE2	TYR	V	305
R	H	CB	PHE	A	194	L	H	OH	TYR	V	305
R	H	CB	PHE	A	194	L	H	HE2	TYR	V	305
R	H	CB	PHE	A	194	L	H	HH	TYR	V	305
R	H	O	PHE	A	194	L	H	CE2	TYR	V	305
R	H	O	PHE	A	194	L	H	OH	TYR	V	305
R	H	O	PHE	A	194	L	H	CZ	TYR	V	305
R	H	O	PHE	A	194	L	H	HE2	TYR	V	305
R	H	O	PHE	A	194	L	H	HH	TYR	V	305
R	-	CA	SER	A	195	L	H	HA	LYS	V	309
R	-	CA	SER	A	195	L	H	HG3	LYS	V	309
R	-	CA	SER	A	195	L	H	HB3	CYS	V	312
R	-	CA	SER	A	195	L	H	HG	CYS	V	312
R	-	C	SER	A	195	L	H	HA	LYS	V	309
R	-	C	SER	A	195	L	H	HG3	LYS	V	309
R	-	C	SER	A	195	L	H	SG	CYS	V	312
R	-	C	SER	A	195	L	H	HB3	CYS	V	312
R	-	C	SER	A	195	L	H	HG	CYS	V	312
R	-	CB	SER	A	195	L	H	O	LEU	V	308
R	-	CB	SER	A	195	L	H	HB3	LEU	V	308
R	-	CB	SER	A	195	L	H	HA	LYS	V	309
R	-	CB	SER	A	195	L	H	CB	CYS	V	312
R	-	CB	SER	A	195	L	H	SG	CYS	V	312
R	-	CB	SER	A	195	L	H	HB2	CYS	V	312
R	-	CB	SER	A	195	L	H	HB3	CYS	V	312
R	-	CB	SER	A	195	L	H	HG	CYS	V	312
R	-	O	SER	A	195	L	H	HA	LYS	V	309
R	-	O	SER	A	195	L	H	HG3	LYS	V	309
R	-	O	SER	A	195	L	H	CB	CYS	V	312
R	-	O	SER	A	195	L	H	SG	CYS	V	312
R	-	O	SER	A	195	L	H	HB3	CYS	V	312
R	-	O	SER	A	195	L	H	HG	CYS	V	312
R	-	OG	SER	A	195	L	H	C	LEU	V	308
R	-	OG	SER	A	195	L	H	CB	LEU	V	308
R	-	OG	SER	A	195	L	H	O	LEU	V	308
R	-	OG	SER	A	195	L	H	CD2	LEU	V	308
R	-	OG	SER	A	195	L	H	HB3	LEU	V	308
R	-	OG	SER	A	195	L	H	HD21	LEU	V	308
R	-	OG	SER	A	195	L	H	HD22	LEU	V	308
R	-	OG	SER	A	195	L	H	N	LYS	V	309
R	-	OG	SER	A	195	L	H	HA	LYS	V	309
R	-	OG	SER	A	195	L	H	CB	CYS	V	312
R	-	OG	SER	A	195	L	H	HB2	CYS	V	312
R	-	OG	SER	A	195	L	H	HB3	CYS	V	312
R	-	OG	SER	A	195	L	H	HG	CYS	V	312
R	-	N	LEU	A	196	L	H	HG	CYS	V	312
R	-	CA	LEU	A	196	L	H	HG	CYS	V	312
R	-	CG	LEU	A	196	L	H	HG	CYS	V	312
R	-	CD2	LEU	A	196	L	H	HG	CYS	V	312
R	-	CD2	LEU	A	196	L	H	HD22	ASN	V	316
R	-	CA	SER	A	220	L	H	ND2	ASN	V	316
R	-	CA	SER	A	220	L	H	HD21	ASN	V	316
R	-	CA	SER	A	220	L	H	HD22	ASN	V	316
R	-	C	SER	A	220	L	H	ND2	ASN	V	316
R	-	C	SER	A	220	L	H	HD22	ASN	V	316
R	-	CB	SER	A	220	L	H	CG	ASN	V	316
R	-	CB	SER	A	220	L	H	ND2	ASN	V	316
R	-	CB	SER	A	220	L	H	HD21	ASN	V	316
R	-	CB	SER	A	220	L	H	HD22	ASN	V	316
R	-	OG	SER	A	220	L	H	ND2	ASN	V	316
R	-	OG	SER	A	220	L	H	HD21	ASN	V	316
R	-	OG	SER	A	220	L	H	HD22	ASN	V	316
R	-	N	ASP	A	221	L	H	CG	ASN	V	316
R	-	N	ASP	A	221	L	H	ND2	ASN	V	316
R	-	N	ASP	A	221	L	H	OD1	ASN	V	316
R	-	N	ASP	A	221	L	H	HD22	ASN	V	316
R	-	CB	ASP	A	221	L	H	OD1	ASN	V	316
R	-	CB	ASP	A	221	L	-	HD11	LEU	V	319
R	-	CB	ASP	A	221	L	-	HD13	LEU	V	319
R	-	O	ASP	A	221	L	H	OD1	ASN	V	316
R	-	O	ASP	A	221	L	H	HD22	ASN	V	316
R	-	CG	ASP	A	221	L	-	CD1	LEU	V	319
R	-	CG	ASP	A	221	L	-	HB3	LEU	V	319
R	-	CG	ASP	A	221	L	-	HD11	LEU	V	319
R	-	CG	ASP	A	221	L	-	HD13	LEU	V	319
R	-	OD1	ASP	A	221	L	-	HD13	LEU	V	319
R	-	OD2	ASP	A	221	L	-	CB	LEU	V	319
R	-	OD2	ASP	A	221	L	-	CG	LEU	V	319
R	-	OD2	ASP	A	221	L	-	CD1	LEU	V	319
R	-	OD2	ASP	A	221	L	-	HB2	LEU	V	319
R	-	OD2	ASP	A	221	L	-	HB3	LEU	V	319
R	-	OD2	ASP	A	221	L	-	HD11	LEU	V	319
R	-	OD2	ASP	A	221	L	-	HD12	LEU	V	319
R	-	OD2	ASP	A	221	L	-	HD13	LEU	V	319
R	-	OD2	ASP	A	221	L	-	HD22	LEU	V	319
R	H	OG1	THR	A	224	L	-	HD12	LEU	V	319
R	H	CB	MET	A	334	L	H	HE1	MET	V	157
R	H	CG	MET	A	334	L	H	HE1	MET	V	157
R	H	SD	MET	A	334	L	H	HD13	LEU	V	154
R	H	CE	MET	A	334	L	H	CD1	LEU	V	154
R	H	CE	MET	A	334	L	H	HD11	LEU	V	154
R	H	CE	MET	A	334	L	H	HD13	LEU	V	154
R	H	CE	MET	A	334	L	H	SD	MET	V	157
R	H	CE	MET	A	334	L	H	CE	MET	V	157
R	H	CE	MET	A	334	L	H	HE1	MET	V	157
R	H	CE	MET	A	334	L	H	HE2	MET	V	157
R	H	CA	VAL	A	338	L	H	HA	ILE	V	158
R	H	CA	VAL	A	338	L	H	HG12	ILE	V	158
R	H	CB	VAL	A	338	L	H	HA	ILE	V	158
R	H	CB	VAL	A	338	L	H	HA3	GLY	V	161
R	H	O	VAL	A	338	L	H	CG	LEU	V	162
R	H	O	VAL	A	338	L	H	CD2	LEU	V	162
R	H	O	VAL	A	338	L	H	HG	LEU	V	162
R	H	O	VAL	A	338	L	H	HD21	LEU	V	162
R	H	O	VAL	A	338	L	H	HD22	LEU	V	162
R	H	CG1	VAL	A	338	L	H	O	MET	V	157
R	H	CG1	VAL	A	338	L	H	CA	ILE	V	158
R	H	CG1	VAL	A	338	L	H	C	ILE	V	158
R	H	CG1	VAL	A	338	L	H	O	ILE	V	158
R	H	CG1	VAL	A	338	L	H	HA	ILE	V	158
R	H	CG1	VAL	A	338	L	H	N	GLY	V	161
R	H	CG1	VAL	A	338	L	H	CA	GLY	V	161
R	H	CG1	VAL	A	338	L	H	C	GLY	V	161
R	H	CG1	VAL	A	338	L	H	H	GLY	V	161
R	H	CG1	VAL	A	338	L	H	HA3	GLY	V	161
R	H	CG1	VAL	A	338	L	H	N	LEU	V	162
R	H	CG1	VAL	A	338	L	H	H	LEU	V	162
R	H	CG1	VAL	A	338	L	H	HG	LEU	V	162
R	H	CG2	VAL	A	338	L	H	O	MET	V	157
R	H	CG2	VAL	A	338	L	H	HB3	MET	V	157
R	H	CG2	VAL	A	338	L	H	CA	ILE	V	158
R	H	CG2	VAL	A	338	L	H	HA	ILE	V	158
R	H	CG2	VAL	A	338	L	H	HG12	ILE	V	158
R	H	CG2	VAL	A	338	L	H	HG13	ILE	V	158
R	-	CD1	TYR	A	339	L	H	O	GLY	V	161
R	-	CD1	TYR	A	339	L	H	CG	ARG	V	165
R	-	CD1	TYR	A	339	L	H	CD	ARG	V	165
R	-	CD1	TYR	A	339	L	H	HG2	ARG	V	165
R	-	CD1	TYR	A	339	L	H	HG3	ARG	V	165
R	-	CD1	TYR	A	339	L	H	HD3	ARG	V	165
R	-	CE1	TYR	A	339	L	H	O	GLY	V	161
R	-	CE1	TYR	A	339	L	H	CB	LEU	V	164
R	-	CE1	TYR	A	339	L	H	HB2	LEU	V	164
R	-	CE1	TYR	A	339	L	H	CG	ARG	V	165
R	-	CE1	TYR	A	339	L	H	HG2	ARG	V	165
R	-	CE1	TYR	A	339	L	H	HG3	ARG	V	165
R	-	CE1	TYR	A	339	L	H	HD3	ARG	V	165
R	-	CE2	TYR	A	339	L	H	HB2	LEU	V	164
R	-	CE2	TYR	A	339	L	H	HD11	LEU	V	164
R	-	OH	TYR	A	339	L	H	O	GLY	V	161
R	-	OH	TYR	A	339	L	H	HA2	GLY	V	161
R	-	OH	TYR	A	339	L	H	CA	LEU	V	164
R	-	OH	TYR	A	339	L	H	CB	LEU	V	164
R	-	OH	TYR	A	339	L	H	CG	LEU	V	164
R	-	OH	TYR	A	339	L	H	CD1	LEU	V	164
R	-	OH	TYR	A	339	L	H	HB2	LEU	V	164
R	-	OH	TYR	A	339	L	H	HB3	LEU	V	164
R	-	OH	TYR	A	339	L	H	HG	LEU	V	164
R	-	OH	TYR	A	339	L	H	HD11	LEU	V	164
R	-	OH	TYR	A	339	L	H	HD12	LEU	V	164
R	-	OH	TYR	A	339	L	H	HD13	LEU	V	164
R	-	CZ	TYR	A	339	L	H	O	GLY	V	161
R	-	CZ	TYR	A	339	L	H	CB	LEU	V	164
R	-	CZ	TYR	A	339	L	H	CD1	LEU	V	164
R	-	CZ	TYR	A	339	L	H	HB2	LEU	V	164
R	-	CZ	TYR	A	339	L	H	HB3	LEU	V	164
R	-	CZ	TYR	A	339	L	H	HD11	LEU	V	164
R	-	CZ	TYR	A	339	L	H	HD13	LEU	V	164
R	-	CZ	TYR	A	339	L	H	HG3	ARG	V	165

- 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