IID

P58181_A6NKK0.1 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	-	VAL	A	10	L	H	PHE	V	102
R	-	VAL	A	10	L	H	SER	V	103
R	-	VAL	A	10	L	H	ILE	V	99
R	H	GLN	A	100	L	H	PRO	V	79
R	H	TYR	A	102	L	H	ASN	V	83
R	H	TYR	A	102	L	-	LEU	V	86
R	H	TYR	A	102	L	-	ALA	V	87
R	H	PHE	A	103	L	H	PHE	V	28
R	H	PHE	A	103	L	H	LEU	V	32
R	H	PHE	A	103	L	H	PRO	V	79
R	H	PHE	A	103	L	H	LEU	V	82
R	H	PHE	A	103	L	-	LEU	V	86
R	H	LEU	A	106	L	-	LEU	V	86
R	H	PHE	A	107	L	H	PHE	V	28
R	H	PHE	A	107	L	H	LEU	V	32
R	S	GLU	A	11	L	H	TRP	V	72
R	H	ILE	A	153	L	-	LEU	V	86
R	H	ILE	A	153	L	-	ALA	V	87
R	H	MET	A	154	L	-	LYS	V	88
R	H	THR	A	157	L	H	ASN	V	83
R	H	THR	A	157	L	-	ALA	V	87
R	H	THR	A	157	L	-	LYS	V	88
R	H	THR	A	157	L	-	SER	V	89
R	H	PHE	A	164	L	S	SER	V	93
R	H	PHE	A	164	L	H	SER	V	95
R	H	PHE	A	164	L	H	GLU	V	96
R	H	SER	A	165	L	H	SER	V	95
R	H	PHE	A	28	L	H	HIS	V	308
R	H	PHE	A	28	L	H	LYS	V	51
R	H	GLY	A	29	L	H	HIS	V	308
R	H	LEU	A	32	L	H	HIS	V	308
R	H	VAL	A	33	L	-	SER	V	312
R	H	TYR	A	35	L	H	MET	V	40
R	-	GLN	A	6	L	H	PHE	V	164
R	H	SER	A	72	L	H	LEU	V	32
R	H	ALA	A	75	L	H	LEU	V	36
R	H	VAL	A	76	L	H	LEU	V	36
R	H	PRO	A	79	L	H	ILE	V	39
R	H	PRO	A	79	L	H	LEU	V	43
R	-	CYS	A	8	L	H	SER	V	95
R	-	CYS	A	8	L	H	LYS	V	98
R	-	CYS	A	8	L	H	ILE	V	99
R	H	GLU	A	80	L	H	LEU	V	43
R	H	VAL	A	83	L	H	LEU	V	43
R	H	LEU	A	85	L	H	TRP	V	50
R	H	SER	A	86	L	H	TRP	V	50
R	-	THR	A	87	L	H	TRP	V	50
R	-	VAL	A	9	L	H	ILE	V	99
R	S	MET	A	91	L	H	PHE	V	68
R	S	SER	A	93	L	H	SER	V	103
R	S	SER	A	93	L	H	TRP	V	72
R	S	SER	A	93	L	H	SER	V	75
R	S	SER	A	93	L	H	THR	V	76
R	H	PHE	A	94	L	H	GLU	V	96
R	H	PHE	A	94	L	H	ILE	V	99
R	H	VAL	A	95	L	H	GLN	V	100
R	H	VAL	A	95	L	H	SER	V	75
R	H	VAL	A	95	L	H	THR	V	76
R	H	VAL	A	95	L	H	VAL	V	77
R	H	VAL	A	95	L	H	PRO	V	79
R	H	VAL	A	95	L	H	LYS	V	80
R	H	GLY	A	96	L	H	SER	V	75
R	H	GLY	A	96	L	H	THR	V	76
R	H	GLY	A	96	L	H	PRO	V	79
R	H	PHE	A	98	L	H	LYS	V	80
R	H	PHE	A	98	L	H	ASN	V	83
R	H	PHE	A	98	L	H	GLU	V	96
R	H	ALA	A	99	L	H	PRO	V	79

- 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_A6NKK0.1 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	-	O	GLN	A	6	L	H	HZ	PHE	V	164
R	-	CA	CYS	A	8	L	H	CG1	ILE	V	99
R	-	CA	CYS	A	8	L	H	HG12	ILE	V	99
R	-	CA	CYS	A	8	L	H	HG13	ILE	V	99
R	-	CA	CYS	A	8	L	H	HD11	ILE	V	99
R	-	C	CYS	A	8	L	H	CG1	ILE	V	99
R	-	C	CYS	A	8	L	H	CD1	ILE	V	99
R	-	C	CYS	A	8	L	H	HG12	ILE	V	99
R	-	C	CYS	A	8	L	H	HG13	ILE	V	99
R	-	C	CYS	A	8	L	H	HD11	ILE	V	99
R	-	CB	CYS	A	8	L	H	HB2	LYS	V	98
R	-	CB	CYS	A	8	L	H	HB3	LYS	V	98
R	-	CB	CYS	A	8	L	H	CG1	ILE	V	99
R	-	CB	CYS	A	8	L	H	CD1	ILE	V	99
R	-	CB	CYS	A	8	L	H	HA	ILE	V	99
R	-	CB	CYS	A	8	L	H	HG12	ILE	V	99
R	-	CB	CYS	A	8	L	H	HG13	ILE	V	99
R	-	CB	CYS	A	8	L	H	HD11	ILE	V	99
R	-	O	CYS	A	8	L	H	HG12	ILE	V	99
R	-	SG	CYS	A	8	L	H	C	SER	V	95
R	-	SG	CYS	A	8	L	H	O	SER	V	95
R	-	SG	CYS	A	8	L	H	HA	SER	V	95
R	-	SG	CYS	A	8	L	H	HB3	SER	V	95
R	-	SG	CYS	A	8	L	H	HB2	LYS	V	98
R	-	SG	CYS	A	8	L	H	HB3	LYS	V	98
R	-	SG	CYS	A	8	L	H	N	ILE	V	99
R	-	SG	CYS	A	8	L	H	CA	ILE	V	99
R	-	SG	CYS	A	8	L	H	CB	ILE	V	99
R	-	SG	CYS	A	8	L	H	CG1	ILE	V	99
R	-	SG	CYS	A	8	L	H	CD1	ILE	V	99
R	-	SG	CYS	A	8	L	H	H	ILE	V	99
R	-	SG	CYS	A	8	L	H	HA	ILE	V	99
R	-	SG	CYS	A	8	L	H	HB	ILE	V	99
R	-	SG	CYS	A	8	L	H	HG12	ILE	V	99
R	-	SG	CYS	A	8	L	H	HG13	ILE	V	99
R	-	SG	CYS	A	8	L	H	HD11	ILE	V	99
R	-	SG	CYS	A	8	L	H	HD12	ILE	V	99
R	-	SG	CYS	A	8	L	H	HD13	ILE	V	99
R	-	N	VAL	A	9	L	H	CG1	ILE	V	99
R	-	N	VAL	A	9	L	H	CD1	ILE	V	99
R	-	N	VAL	A	9	L	H	HG12	ILE	V	99
R	-	N	VAL	A	9	L	H	HD11	ILE	V	99
R	-	N	VAL	A	9	L	H	HD13	ILE	V	99
R	-	CA	VAL	A	9	L	H	HG12	ILE	V	99
R	-	CA	VAL	A	9	L	H	HD11	ILE	V	99
R	-	CA	VAL	A	9	L	H	HD13	ILE	V	99
R	-	C	VAL	A	9	L	H	CG1	ILE	V	99
R	-	C	VAL	A	9	L	H	CG2	ILE	V	99
R	-	C	VAL	A	9	L	H	CD1	ILE	V	99
R	-	C	VAL	A	9	L	H	HG12	ILE	V	99
R	-	C	VAL	A	9	L	H	HG22	ILE	V	99
R	-	C	VAL	A	9	L	H	HG23	ILE	V	99
R	-	C	VAL	A	9	L	H	HD11	ILE	V	99
R	-	C	VAL	A	9	L	H	HD13	ILE	V	99
R	-	CB	VAL	A	9	L	H	HD13	ILE	V	99
R	-	O	VAL	A	9	L	H	CB	ILE	V	99
R	-	O	VAL	A	9	L	H	CG1	ILE	V	99
R	-	O	VAL	A	9	L	H	CG2	ILE	V	99
R	-	O	VAL	A	9	L	H	CD1	ILE	V	99
R	-	O	VAL	A	9	L	H	HG12	ILE	V	99
R	-	O	VAL	A	9	L	H	HG13	ILE	V	99
R	-	O	VAL	A	9	L	H	HG21	ILE	V	99
R	-	O	VAL	A	9	L	H	HG22	ILE	V	99
R	-	O	VAL	A	9	L	H	HG23	ILE	V	99
R	-	O	VAL	A	9	L	H	HD11	ILE	V	99
R	-	O	VAL	A	9	L	H	HD12	ILE	V	99
R	-	O	VAL	A	9	L	H	HD13	ILE	V	99
R	-	N	VAL	A	10	L	H	CG2	ILE	V	99
R	-	N	VAL	A	10	L	H	HG12	ILE	V	99
R	-	N	VAL	A	10	L	H	HG23	ILE	V	99
R	-	CA	VAL	A	10	L	H	CG2	ILE	V	99
R	-	CA	VAL	A	10	L	H	HG12	ILE	V	99
R	-	CA	VAL	A	10	L	H	HG21	ILE	V	99
R	-	CA	VAL	A	10	L	H	HG22	ILE	V	99
R	-	CA	VAL	A	10	L	H	HG23	ILE	V	99
R	-	CA	VAL	A	10	L	H	HD1	PHE	V	102
R	-	C	VAL	A	10	L	H	HG23	ILE	V	99
R	-	CB	VAL	A	10	L	H	HG23	ILE	V	99
R	-	CB	VAL	A	10	L	H	CD1	PHE	V	102
R	-	CB	VAL	A	10	L	H	CE1	PHE	V	102
R	-	CB	VAL	A	10	L	H	HD1	PHE	V	102
R	-	CB	VAL	A	10	L	H	HE1	PHE	V	102
R	-	CB	VAL	A	10	L	H	HB3	SER	V	103
R	-	O	VAL	A	10	L	H	CG2	ILE	V	99
R	-	O	VAL	A	10	L	H	HG21	ILE	V	99
R	-	O	VAL	A	10	L	H	HG23	ILE	V	99
R	-	O	VAL	A	10	L	H	HB3	SER	V	103
R	-	CG1	VAL	A	10	L	H	HA	ILE	V	99
R	-	CG1	VAL	A	10	L	H	HG12	ILE	V	99
R	-	CG1	VAL	A	10	L	H	HG23	ILE	V	99
R	-	CG1	VAL	A	10	L	H	CB	PHE	V	102
R	-	CG1	VAL	A	10	L	H	CG	PHE	V	102
R	-	CG1	VAL	A	10	L	H	CD1	PHE	V	102
R	-	CG1	VAL	A	10	L	H	CE1	PHE	V	102
R	-	CG1	VAL	A	10	L	H	HB3	PHE	V	102
R	-	CG1	VAL	A	10	L	H	HD1	PHE	V	102
R	-	CG1	VAL	A	10	L	H	HE1	PHE	V	102
R	-	CG2	VAL	A	10	L	H	CD1	PHE	V	102
R	-	CG2	VAL	A	10	L	H	CE1	PHE	V	102
R	-	CG2	VAL	A	10	L	H	HD1	PHE	V	102
R	-	CG2	VAL	A	10	L	H	HE1	PHE	V	102
R	S	OE2	GLU	A	11	L	H	CH2	TRP	V	72
R	S	OE2	GLU	A	11	L	H	CZ2	TRP	V	72
R	S	OE2	GLU	A	11	L	H	HH2	TRP	V	72
R	S	OE2	GLU	A	11	L	H	HZ2	TRP	V	72
R	H	C	PHE	A	28	L	H	HE1	HIS	V	308
R	H	O	PHE	A	28	L	H	HE1	HIS	V	308
R	H	CG	PHE	A	28	L	H	HZ1	LYS	V	51
R	H	CG	PHE	A	28	L	H	HE1	HIS	V	308
R	H	CD1	PHE	A	28	L	H	NZ	LYS	V	51
R	H	CD1	PHE	A	28	L	H	HZ1	LYS	V	51
R	H	CD1	PHE	A	28	L	H	HZ2	LYS	V	51
R	H	CD1	PHE	A	28	L	H	HZ3	LYS	V	51
R	H	CD1	PHE	A	28	L	H	CE1	HIS	V	308
R	H	CD1	PHE	A	28	L	H	NE2	HIS	V	308
R	H	CD1	PHE	A	28	L	H	HE1	HIS	V	308
R	H	CD2	PHE	A	28	L	H	HZ1	LYS	V	51
R	H	CE1	PHE	A	28	L	H	CE	LYS	V	51
R	H	CE1	PHE	A	28	L	H	NZ	LYS	V	51
R	H	CE1	PHE	A	28	L	H	HE3	LYS	V	51
R	H	CE1	PHE	A	28	L	H	HZ1	LYS	V	51
R	H	CE1	PHE	A	28	L	H	HZ2	LYS	V	51
R	H	CE1	PHE	A	28	L	H	HZ3	LYS	V	51
R	H	CE1	PHE	A	28	L	H	CE1	HIS	V	308
R	H	CE1	PHE	A	28	L	H	NE2	HIS	V	308
R	H	CE1	PHE	A	28	L	H	HE1	HIS	V	308
R	H	CE2	PHE	A	28	L	H	HZ1	LYS	V	51
R	H	CE2	PHE	A	28	L	H	HZ3	LYS	V	51
R	H	CZ	PHE	A	28	L	H	NZ	LYS	V	51
R	H	CZ	PHE	A	28	L	H	HE3	LYS	V	51
R	H	CZ	PHE	A	28	L	H	HZ1	LYS	V	51
R	H	CZ	PHE	A	28	L	H	HZ2	LYS	V	51
R	H	CZ	PHE	A	28	L	H	HZ3	LYS	V	51
R	H	N	GLY	A	29	L	H	HE1	HIS	V	308
R	H	CA	GLY	A	29	L	H	ND1	HIS	V	308
R	H	CA	GLY	A	29	L	H	CE1	HIS	V	308
R	H	CA	GLY	A	29	L	H	HE1	HIS	V	308
R	H	CA	GLY	A	29	L	H	HD1	HIS	V	308
R	H	C	GLY	A	29	L	H	HD1	HIS	V	308
R	H	O	GLY	A	29	L	H	HD1	HIS	V	308
R	H	CD2	LEU	A	32	L	H	CB	HIS	V	308
R	H	CD2	LEU	A	32	L	H	CG	HIS	V	308
R	H	CD2	LEU	A	32	L	H	CD2	HIS	V	308
R	H	CD2	LEU	A	32	L	H	ND1	HIS	V	308
R	H	CD2	LEU	A	32	L	H	CE1	HIS	V	308
R	H	CD2	LEU	A	32	L	H	NE2	HIS	V	308
R	H	CD2	LEU	A	32	L	H	HB3	HIS	V	308
R	H	CD2	LEU	A	32	L	H	HD2	HIS	V	308
R	H	CD2	LEU	A	32	L	H	HD1	HIS	V	308
R	H	CB	VAL	A	33	L	-	OG	SER	V	312
R	H	CG1	VAL	A	33	L	-	CB	SER	V	312
R	H	CG1	VAL	A	33	L	-	OG	SER	V	312
R	H	CG1	VAL	A	33	L	-	HB3	SER	V	312
R	H	CG2	VAL	A	33	L	-	CB	SER	V	312
R	H	CG2	VAL	A	33	L	-	OG	SER	V	312
R	H	CG2	VAL	A	33	L	-	HB3	SER	V	312
R	H	CG2	VAL	A	33	L	-	HG	SER	V	312
R	H	CE1	TYR	A	35	L	H	HE3	MET	V	40
R	H	OH	TYR	A	35	L	H	SD	MET	V	40
R	H	CB	SER	A	72	L	H	HD22	LEU	V	32
R	H	OG	SER	A	72	L	H	HD22	LEU	V	32
R	H	CA	ALA	A	75	L	H	HD22	LEU	V	36
R	H	CA	ALA	A	75	L	H	HD23	LEU	V	36
R	H	C	ALA	A	75	L	H	CD2	LEU	V	36
R	H	C	ALA	A	75	L	H	HD22	LEU	V	36
R	H	C	ALA	A	75	L	H	HD23	LEU	V	36
R	H	CB	ALA	A	75	L	H	CD1	LEU	V	36
R	H	CB	ALA	A	75	L	H	CD2	LEU	V	36
R	H	CB	ALA	A	75	L	H	HD12	LEU	V	36
R	H	CB	ALA	A	75	L	H	HD13	LEU	V	36
R	H	CB	ALA	A	75	L	H	HD22	LEU	V	36
R	H	CB	ALA	A	75	L	H	HD23	LEU	V	36
R	H	O	ALA	A	75	L	H	CD2	LEU	V	36
R	H	O	ALA	A	75	L	H	HD21	LEU	V	36
R	H	O	ALA	A	75	L	H	HD22	LEU	V	36
R	H	O	ALA	A	75	L	H	HD23	LEU	V	36
R	H	N	VAL	A	76	L	H	HD22	LEU	V	36
R	H	C	PRO	A	79	L	H	HD11	LEU	V	43
R	H	C	PRO	A	79	L	H	HD13	LEU	V	43
R	H	CB	PRO	A	79	L	H	HG21	ILE	V	39
R	H	CB	PRO	A	79	L	H	HG22	ILE	V	39
R	H	CB	PRO	A	79	L	H	HD11	LEU	V	43
R	H	O	PRO	A	79	L	H	CD1	LEU	V	43
R	H	O	PRO	A	79	L	H	HD11	LEU	V	43
R	H	O	PRO	A	79	L	H	HD13	LEU	V	43
R	H	OE2	GLU	A	80	L	H	HD12	LEU	V	43
R	H	CB	VAL	A	83	L	H	HD13	LEU	V	43
R	H	CB	VAL	A	83	L	H	HD22	LEU	V	43
R	H	CG1	VAL	A	83	L	H	HD13	LEU	V	43
R	H	CG1	VAL	A	83	L	H	HD22	LEU	V	43
R	H	CG2	VAL	A	83	L	H	CB	LEU	V	43
R	H	CG2	VAL	A	83	L	H	CG	LEU	V	43
R	H	CG2	VAL	A	83	L	H	CD1	LEU	V	43
R	H	CG2	VAL	A	83	L	H	CD2	LEU	V	43
R	H	CG2	VAL	A	83	L	H	HB3	LEU	V	43
R	H	CG2	VAL	A	83	L	H	HD11	LEU	V	43
R	H	CG2	VAL	A	83	L	H	HD12	LEU	V	43
R	H	CG2	VAL	A	83	L	H	HD13	LEU	V	43
R	H	CG2	VAL	A	83	L	H	HD22	LEU	V	43
R	H	CG2	VAL	A	83	L	H	HD23	LEU	V	43
R	H	O	LEU	A	85	L	H	HH2	TRP	V	50
R	H	O	LEU	A	85	L	H	HZ3	TRP	V	50
R	H	N	SER	A	86	L	H	HZ3	TRP	V	50
R	H	CA	SER	A	86	L	H	CE3	TRP	V	50
R	H	CA	SER	A	86	L	H	CH2	TRP	V	50
R	H	CA	SER	A	86	L	H	CZ3	TRP	V	50
R	H	CA	SER	A	86	L	H	HE3	TRP	V	50
R	H	CA	SER	A	86	L	H	HH2	TRP	V	50
R	H	CA	SER	A	86	L	H	HZ3	TRP	V	50
R	H	C	SER	A	86	L	H	CE3	TRP	V	50
R	H	C	SER	A	86	L	H	CH2	TRP	V	50
R	H	C	SER	A	86	L	H	CZ2	TRP	V	50
R	H	C	SER	A	86	L	H	CZ3	TRP	V	50
R	H	C	SER	A	86	L	H	HE3	TRP	V	50
R	H	C	SER	A	86	L	H	HH2	TRP	V	50
R	H	C	SER	A	86	L	H	HZ3	TRP	V	50
R	H	CB	SER	A	86	L	H	CE3	TRP	V	50
R	H	CB	SER	A	86	L	H	CZ3	TRP	V	50
R	H	CB	SER	A	86	L	H	HE3	TRP	V	50
R	H	CB	SER	A	86	L	H	HZ3	TRP	V	50
R	H	O	SER	A	86	L	H	CD2	TRP	V	50
R	H	O	SER	A	86	L	H	CE2	TRP	V	50
R	H	O	SER	A	86	L	H	CE3	TRP	V	50
R	H	O	SER	A	86	L	H	CH2	TRP	V	50
R	H	O	SER	A	86	L	H	CZ2	TRP	V	50
R	H	O	SER	A	86	L	H	CZ3	TRP	V	50
R	H	O	SER	A	86	L	H	HE3	TRP	V	50
R	H	O	SER	A	86	L	H	HH2	TRP	V	50
R	H	O	SER	A	86	L	H	HZ2	TRP	V	50
R	H	O	SER	A	86	L	H	HZ3	TRP	V	50
R	H	OG	SER	A	86	L	H	HE3	TRP	V	50
R	H	OG	SER	A	86	L	H	HZ3	TRP	V	50
R	-	N	THR	A	87	L	H	CH2	TRP	V	50
R	-	N	THR	A	87	L	H	CZ3	TRP	V	50
R	-	N	THR	A	87	L	H	HH2	TRP	V	50
R	-	N	THR	A	87	L	H	HZ3	TRP	V	50
R	S	CB	MET	A	91	L	H	HZ	PHE	V	68
R	S	O	MET	A	91	L	H	HE2	PHE	V	68
R	S	CA	SER	A	93	L	H	HE1	TRP	V	72
R	S	CB	SER	A	93	L	H	CD1	TRP	V	72
R	S	CB	SER	A	93	L	H	NE1	TRP	V	72
R	S	CB	SER	A	93	L	H	HD1	TRP	V	72
R	S	CB	SER	A	93	L	H	HE1	TRP	V	72
R	S	CB	SER	A	93	L	H	OG1	THR	V	76
R	S	CB	SER	A	93	L	H	HA	THR	V	76
R	S	CB	SER	A	93	L	H	HG1	THR	V	76
R	S	CB	SER	A	93	L	H	OG	SER	V	103
R	S	CB	SER	A	93	L	H	HG	SER	V	103
R	S	OG	SER	A	93	L	H	CD1	TRP	V	72
R	S	OG	SER	A	93	L	H	HD1	TRP	V	72
R	S	OG	SER	A	93	L	H	HE1	TRP	V	72
R	S	OG	SER	A	93	L	H	C	SER	V	75
R	S	OG	SER	A	93	L	H	O	SER	V	75
R	S	OG	SER	A	93	L	H	HB2	SER	V	75
R	S	OG	SER	A	93	L	H	HB3	SER	V	75
R	S	OG	SER	A	93	L	H	N	THR	V	76
R	S	OG	SER	A	93	L	H	CA	THR	V	76
R	S	OG	SER	A	93	L	H	CB	THR	V	76
R	S	OG	SER	A	93	L	H	OG1	THR	V	76
R	S	OG	SER	A	93	L	H	H	THR	V	76
R	S	OG	SER	A	93	L	H	HA	THR	V	76
R	S	OG	SER	A	93	L	H	HG1	THR	V	76
R	S	OG	SER	A	93	L	H	HG	SER	V	103
R	H	CA	PHE	A	94	L	H	HG21	ILE	V	99
R	H	CA	PHE	A	94	L	H	HG22	ILE	V	99
R	H	CB	PHE	A	94	L	H	CG2	ILE	V	99
R	H	CB	PHE	A	94	L	H	HG21	ILE	V	99
R	H	CB	PHE	A	94	L	H	HG22	ILE	V	99
R	H	CB	PHE	A	94	L	H	HG23	ILE	V	99
R	H	CB	PHE	A	94	L	H	HD13	ILE	V	99
R	H	CG	PHE	A	94	L	H	CB	ILE	V	99
R	H	CG	PHE	A	94	L	H	CG2	ILE	V	99
R	H	CG	PHE	A	94	L	H	CD1	ILE	V	99
R	H	CG	PHE	A	94	L	H	HB	ILE	V	99
R	H	CG	PHE	A	94	L	H	HG21	ILE	V	99
R	H	CG	PHE	A	94	L	H	HG22	ILE	V	99
R	H	CG	PHE	A	94	L	H	HG23	ILE	V	99
R	H	CG	PHE	A	94	L	H	HD12	ILE	V	99
R	H	CG	PHE	A	94	L	H	HD13	ILE	V	99
R	H	CD1	PHE	A	94	L	H	HA	GLU	V	96
R	H	CD1	PHE	A	94	L	H	HG2	GLU	V	96
R	H	CD1	PHE	A	94	L	H	CB	ILE	V	99
R	H	CD1	PHE	A	94	L	H	CG2	ILE	V	99
R	H	CD1	PHE	A	94	L	H	HB	ILE	V	99
R	H	CD1	PHE	A	94	L	H	HG21	ILE	V	99
R	H	CD1	PHE	A	94	L	H	HG22	ILE	V	99
R	H	CD1	PHE	A	94	L	H	HD12	ILE	V	99
R	H	CD1	PHE	A	94	L	H	HD13	ILE	V	99
R	H	CD2	PHE	A	94	L	H	CG2	ILE	V	99
R	H	CD2	PHE	A	94	L	H	CD1	ILE	V	99
R	H	CD2	PHE	A	94	L	H	HG22	ILE	V	99
R	H	CD2	PHE	A	94	L	H	HD11	ILE	V	99
R	H	CD2	PHE	A	94	L	H	HD12	ILE	V	99
R	H	CD2	PHE	A	94	L	H	HD13	ILE	V	99
R	H	CE1	PHE	A	94	L	H	CA	GLU	V	96
R	H	CE1	PHE	A	94	L	H	CB	GLU	V	96
R	H	CE1	PHE	A	94	L	H	CG	GLU	V	96
R	H	CE1	PHE	A	94	L	H	HA	GLU	V	96
R	H	CE1	PHE	A	94	L	H	HB3	GLU	V	96
R	H	CE1	PHE	A	94	L	H	HG2	GLU	V	96
R	H	CE1	PHE	A	94	L	H	HG3	GLU	V	96
R	H	CE1	PHE	A	94	L	H	HB	ILE	V	99
R	H	CE1	PHE	A	94	L	H	HG22	ILE	V	99
R	H	CE1	PHE	A	94	L	H	HD12	ILE	V	99
R	H	CE1	PHE	A	94	L	H	HD13	ILE	V	99
R	H	CE2	PHE	A	94	L	H	HG2	GLU	V	96
R	H	CE2	PHE	A	94	L	H	CD1	ILE	V	99
R	H	CE2	PHE	A	94	L	H	HG22	ILE	V	99
R	H	CE2	PHE	A	94	L	H	HD11	ILE	V	99
R	H	CE2	PHE	A	94	L	H	HD12	ILE	V	99
R	H	CE2	PHE	A	94	L	H	HD13	ILE	V	99
R	H	CZ	PHE	A	94	L	H	CA	GLU	V	96
R	H	CZ	PHE	A	94	L	H	CG	GLU	V	96
R	H	CZ	PHE	A	94	L	H	HA	GLU	V	96
R	H	CZ	PHE	A	94	L	H	HG2	GLU	V	96
R	H	CZ	PHE	A	94	L	H	HG3	GLU	V	96
R	H	CZ	PHE	A	94	L	H	CD1	ILE	V	99
R	H	CZ	PHE	A	94	L	H	HB	ILE	V	99
R	H	CZ	PHE	A	94	L	H	HG22	ILE	V	99
R	H	CZ	PHE	A	94	L	H	HD12	ILE	V	99
R	H	CZ	PHE	A	94	L	H	HD13	ILE	V	99
R	H	N	VAL	A	95	L	H	HA	THR	V	76
R	H	CA	VAL	A	95	L	H	O	SER	V	75
R	H	CA	VAL	A	95	L	H	O	THR	V	76
R	H	CA	VAL	A	95	L	H	HA	THR	V	76
R	H	C	VAL	A	95	L	H	O	SER	V	75
R	H	C	VAL	A	95	L	H	HA	THR	V	76
R	H	C	VAL	A	95	L	H	HG2	PRO	V	79
R	H	CB	VAL	A	95	L	H	O	SER	V	75
R	H	CB	VAL	A	95	L	H	CA	THR	V	76
R	H	CB	VAL	A	95	L	H	C	THR	V	76
R	H	CB	VAL	A	95	L	H	CB	THR	V	76
R	H	CB	VAL	A	95	L	H	O	THR	V	76
R	H	CB	VAL	A	95	L	H	CG2	THR	V	76
R	H	CB	VAL	A	95	L	H	HA	THR	V	76
R	H	CB	VAL	A	95	L	H	HG22	THR	V	76
R	H	CB	VAL	A	95	L	H	HG23	THR	V	76
R	H	CB	VAL	A	95	L	H	HG2	GLN	V	100
R	H	CB	VAL	A	95	L	H	HE21	GLN	V	100
R	H	O	VAL	A	95	L	H	O	SER	V	75
R	H	O	VAL	A	95	L	H	CB	PRO	V	79
R	H	O	VAL	A	95	L	H	CG	PRO	V	79
R	H	O	VAL	A	95	L	H	HB2	PRO	V	79
R	H	O	VAL	A	95	L	H	HG2	PRO	V	79
R	H	O	VAL	A	95	L	H	HD3	PRO	V	79
R	H	CG1	VAL	A	95	L	H	O	SER	V	75
R	H	CG1	VAL	A	95	L	H	CA	THR	V	76
R	H	CG1	VAL	A	95	L	H	C	THR	V	76
R	H	CG1	VAL	A	95	L	H	O	THR	V	76
R	H	CG1	VAL	A	95	L	H	HA	THR	V	76
R	H	CG1	VAL	A	95	L	H	HG23	THR	V	76
R	H	CG1	VAL	A	95	L	H	N	VAL	V	77
R	H	CG1	VAL	A	95	L	H	CA	VAL	V	77
R	H	CG1	VAL	A	95	L	H	HA	VAL	V	77
R	H	CG1	VAL	A	95	L	H	HD3	PRO	V	79
R	H	CG1	VAL	A	95	L	H	H	LYS	V	80
R	H	CG1	VAL	A	95	L	H	HB2	LYS	V	80
R	H	CG1	VAL	A	95	L	H	NE2	GLN	V	100
R	H	CG1	VAL	A	95	L	H	HG2	GLN	V	100
R	H	CG1	VAL	A	95	L	H	HE21	GLN	V	100
R	H	CG1	VAL	A	95	L	H	HE22	GLN	V	100
R	H	CG2	VAL	A	95	L	H	CA	THR	V	76
R	H	CG2	VAL	A	95	L	H	C	THR	V	76
R	H	CG2	VAL	A	95	L	H	O	THR	V	76
R	H	CG2	VAL	A	95	L	H	CG2	THR	V	76
R	H	CG2	VAL	A	95	L	H	HA	THR	V	76
R	H	CG2	VAL	A	95	L	H	HG22	THR	V	76
R	H	CG2	VAL	A	95	L	H	HG23	THR	V	76
R	H	CG2	VAL	A	95	L	H	CA	GLN	V	100
R	H	CG2	VAL	A	95	L	H	CB	GLN	V	100
R	H	CG2	VAL	A	95	L	H	CG	GLN	V	100
R	H	CG2	VAL	A	95	L	H	CD	GLN	V	100
R	H	CG2	VAL	A	95	L	H	NE2	GLN	V	100
R	H	CG2	VAL	A	95	L	H	HA	GLN	V	100
R	H	CG2	VAL	A	95	L	H	HB2	GLN	V	100
R	H	CG2	VAL	A	95	L	H	HG2	GLN	V	100
R	H	CG2	VAL	A	95	L	H	HE21	GLN	V	100
R	H	N	GLY	A	96	L	H	C	SER	V	75
R	H	N	GLY	A	96	L	H	O	SER	V	75
R	H	N	GLY	A	96	L	H	HB3	SER	V	75
R	H	N	GLY	A	96	L	H	CA	THR	V	76
R	H	N	GLY	A	96	L	H	HA	THR	V	76
R	H	N	GLY	A	96	L	H	HG2	PRO	V	79
R	H	CA	GLY	A	96	L	H	C	SER	V	75
R	H	CA	GLY	A	96	L	H	CB	SER	V	75
R	H	CA	GLY	A	96	L	H	O	SER	V	75
R	H	CA	GLY	A	96	L	H	HB3	SER	V	75
R	H	CA	GLY	A	96	L	H	HG2	PRO	V	79
R	H	C	GLY	A	96	L	H	HB3	SER	V	75
R	H	C	GLY	A	96	L	H	HG2	PRO	V	79
R	H	O	GLY	A	96	L	H	HG2	PRO	V	79
R	H	CD1	PHE	A	98	L	H	HA	LYS	V	80
R	H	CD1	PHE	A	98	L	H	HD3	LYS	V	80
R	H	CD2	PHE	A	98	L	H	OE1	GLU	V	96
R	H	CE1	PHE	A	98	L	H	CD	LYS	V	80
R	H	CE1	PHE	A	98	L	H	HA	LYS	V	80
R	H	CE1	PHE	A	98	L	H	HD2	LYS	V	80
R	H	CE1	PHE	A	98	L	H	HD3	LYS	V	80
R	H	CE1	PHE	A	98	L	H	HZ2	LYS	V	80
R	H	CE1	PHE	A	98	L	H	HZ3	LYS	V	80
R	H	CE1	PHE	A	98	L	H	HD21	ASN	V	83
R	H	CE2	PHE	A	98	L	H	HZ3	LYS	V	80
R	H	CE2	PHE	A	98	L	H	OE1	GLU	V	96
R	H	CZ	PHE	A	98	L	H	NZ	LYS	V	80
R	H	CZ	PHE	A	98	L	H	HD2	LYS	V	80
R	H	CZ	PHE	A	98	L	H	HD3	LYS	V	80
R	H	CZ	PHE	A	98	L	H	HZ2	LYS	V	80
R	H	CZ	PHE	A	98	L	H	HZ3	LYS	V	80
R	H	N	ALA	A	99	L	H	CB	PRO	V	79
R	H	N	ALA	A	99	L	H	HB2	PRO	V	79
R	H	N	ALA	A	99	L	H	HB3	PRO	V	79
R	H	CA	ALA	A	99	L	H	CA	PRO	V	79
R	H	CA	ALA	A	99	L	H	CB	PRO	V	79
R	H	CA	ALA	A	99	L	H	CG	PRO	V	79
R	H	CA	ALA	A	99	L	H	HB2	PRO	V	79
R	H	CA	ALA	A	99	L	H	HB3	PRO	V	79
R	H	CA	ALA	A	99	L	H	HG2	PRO	V	79
R	H	C	ALA	A	99	L	H	CB	PRO	V	79
R	H	C	ALA	A	99	L	H	HB2	PRO	V	79
R	H	C	ALA	A	99	L	H	HB3	PRO	V	79
R	H	CB	ALA	A	99	L	H	N	PRO	V	79
R	H	CB	ALA	A	99	L	H	CA	PRO	V	79
R	H	CB	ALA	A	99	L	H	C	PRO	V	79
R	H	CB	ALA	A	99	L	H	CB	PRO	V	79
R	H	CB	ALA	A	99	L	H	CG	PRO	V	79
R	H	CB	ALA	A	99	L	H	CD	PRO	V	79
R	H	CB	ALA	A	99	L	H	HA	PRO	V	79
R	H	CB	ALA	A	99	L	H	HB2	PRO	V	79
R	H	CB	ALA	A	99	L	H	HB3	PRO	V	79
R	H	CB	ALA	A	99	L	H	HG2	PRO	V	79
R	H	CB	ALA	A	99	L	H	HG3	PRO	V	79
R	H	CB	ALA	A	99	L	H	HD3	PRO	V	79
R	H	O	ALA	A	99	L	H	HB3	PRO	V	79
R	H	N	GLN	A	100	L	H	HB3	PRO	V	79
R	H	CB	TYR	A	102	L	H	HB2	ASN	V	83
R	H	CG	TYR	A	102	L	H	CB	ASN	V	83
R	H	CG	TYR	A	102	L	H	CG	ASN	V	83
R	H	CG	TYR	A	102	L	H	OD1	ASN	V	83
R	H	CG	TYR	A	102	L	H	HB2	ASN	V	83
R	H	CD1	TYR	A	102	L	H	CB	ASN	V	83
R	H	CD1	TYR	A	102	L	H	CG	ASN	V	83
R	H	CD1	TYR	A	102	L	H	OD1	ASN	V	83
R	H	CD1	TYR	A	102	L	H	HA	ASN	V	83
R	H	CD1	TYR	A	102	L	H	HB2	ASN	V	83
R	H	CD2	TYR	A	102	L	H	CB	ASN	V	83
R	H	CD2	TYR	A	102	L	H	CG	ASN	V	83
R	H	CD2	TYR	A	102	L	H	ND2	ASN	V	83
R	H	CD2	TYR	A	102	L	H	OD1	ASN	V	83
R	H	CD2	TYR	A	102	L	H	HB2	ASN	V	83
R	H	CD2	TYR	A	102	L	H	HD22	ASN	V	83
R	H	CE1	TYR	A	102	L	H	CA	ASN	V	83
R	H	CE1	TYR	A	102	L	H	CB	ASN	V	83
R	H	CE1	TYR	A	102	L	H	CG	ASN	V	83
R	H	CE1	TYR	A	102	L	H	OD1	ASN	V	83
R	H	CE1	TYR	A	102	L	H	HA	ASN	V	83
R	H	CE1	TYR	A	102	L	H	HB2	ASN	V	83
R	H	CE1	TYR	A	102	L	-	HB2	LEU	V	86
R	H	CE1	TYR	A	102	L	-	HD12	LEU	V	86
R	H	CE2	TYR	A	102	L	H	CB	ASN	V	83
R	H	CE2	TYR	A	102	L	H	CG	ASN	V	83
R	H	CE2	TYR	A	102	L	H	ND2	ASN	V	83
R	H	CE2	TYR	A	102	L	H	OD1	ASN	V	83
R	H	CE2	TYR	A	102	L	H	HA	ASN	V	83
R	H	CE2	TYR	A	102	L	H	HB2	ASN	V	83
R	H	CE2	TYR	A	102	L	H	HD22	ASN	V	83
R	H	CE2	TYR	A	102	L	-	HB2	ALA	V	87
R	H	OH	TYR	A	102	L	H	CA	ASN	V	83
R	H	OH	TYR	A	102	L	H	O	ASN	V	83
R	H	OH	TYR	A	102	L	H	CG	ASN	V	83
R	H	OH	TYR	A	102	L	H	OD1	ASN	V	83
R	H	OH	TYR	A	102	L	H	HA	ASN	V	83
R	H	OH	TYR	A	102	L	-	C	LEU	V	86
R	H	OH	TYR	A	102	L	-	CB	LEU	V	86
R	H	OH	TYR	A	102	L	-	HB2	LEU	V	86
R	H	OH	TYR	A	102	L	-	HB3	LEU	V	86
R	H	OH	TYR	A	102	L	-	HD12	LEU	V	86
R	H	OH	TYR	A	102	L	-	N	ALA	V	87
R	H	OH	TYR	A	102	L	-	CA	ALA	V	87
R	H	OH	TYR	A	102	L	-	CB	ALA	V	87
R	H	OH	TYR	A	102	L	-	H	ALA	V	87
R	H	OH	TYR	A	102	L	-	HA	ALA	V	87
R	H	OH	TYR	A	102	L	-	HB2	ALA	V	87
R	H	CZ	TYR	A	102	L	H	CA	ASN	V	83
R	H	CZ	TYR	A	102	L	H	CB	ASN	V	83
R	H	CZ	TYR	A	102	L	H	CG	ASN	V	83
R	H	CZ	TYR	A	102	L	H	ND2	ASN	V	83
R	H	CZ	TYR	A	102	L	H	OD1	ASN	V	83
R	H	CZ	TYR	A	102	L	H	HA	ASN	V	83
R	H	CZ	TYR	A	102	L	H	HB2	ASN	V	83
R	H	CZ	TYR	A	102	L	-	HB2	LEU	V	86
R	H	CZ	TYR	A	102	L	-	HD12	LEU	V	86
R	H	CZ	TYR	A	102	L	-	HB2	ALA	V	87
R	H	CD1	PHE	A	103	L	H	HE2	PHE	V	28
R	H	CD1	PHE	A	103	L	H	HZ	PHE	V	28
R	H	CD2	PHE	A	103	L	H	HA	PRO	V	79
R	H	CD2	PHE	A	103	L	H	HB3	PRO	V	79
R	H	CE1	PHE	A	103	L	H	CE2	PHE	V	28
R	H	CE1	PHE	A	103	L	H	CZ	PHE	V	28
R	H	CE1	PHE	A	103	L	H	HE2	PHE	V	28
R	H	CE1	PHE	A	103	L	H	HZ	PHE	V	28
R	H	CE1	PHE	A	103	L	H	HD12	LEU	V	32
R	H	CE1	PHE	A	103	L	H	CB	LEU	V	82
R	H	CE1	PHE	A	103	L	H	HB2	LEU	V	82
R	H	CE1	PHE	A	103	L	H	HB3	LEU	V	82
R	H	CE1	PHE	A	103	L	H	HD12	LEU	V	82
R	H	CE1	PHE	A	103	L	-	HD12	LEU	V	86
R	H	CE2	PHE	A	103	L	H	CA	PRO	V	79
R	H	CE2	PHE	A	103	L	H	O	PRO	V	79
R	H	CE2	PHE	A	103	L	H	HA	PRO	V	79
R	H	CE2	PHE	A	103	L	H	HB3	PRO	V	79
R	H	CE2	PHE	A	103	L	H	CB	LEU	V	82
R	H	CE2	PHE	A	103	L	H	CD1	LEU	V	82
R	H	CE2	PHE	A	103	L	H	HB2	LEU	V	82
R	H	CE2	PHE	A	103	L	H	HB3	LEU	V	82
R	H	CE2	PHE	A	103	L	H	HD11	LEU	V	82
R	H	CE2	PHE	A	103	L	H	HD12	LEU	V	82
R	H	CZ	PHE	A	103	L	H	CE2	PHE	V	28
R	H	CZ	PHE	A	103	L	H	HE2	PHE	V	28
R	H	CZ	PHE	A	103	L	H	HD12	LEU	V	32
R	H	CZ	PHE	A	103	L	H	HA	PRO	V	79
R	H	CZ	PHE	A	103	L	H	CB	LEU	V	82
R	H	CZ	PHE	A	103	L	H	CG	LEU	V	82
R	H	CZ	PHE	A	103	L	H	CD1	LEU	V	82
R	H	CZ	PHE	A	103	L	H	HB2	LEU	V	82
R	H	CZ	PHE	A	103	L	H	HB3	LEU	V	82
R	H	CZ	PHE	A	103	L	H	HD11	LEU	V	82
R	H	CZ	PHE	A	103	L	H	HD12	LEU	V	82
R	H	CG	LEU	A	106	L	-	HD13	LEU	V	86
R	H	CD1	LEU	A	106	L	-	HD13	LEU	V	86
R	H	CD2	LEU	A	106	L	-	CD1	LEU	V	86
R	H	CD2	LEU	A	106	L	-	HD11	LEU	V	86
R	H	CD2	LEU	A	106	L	-	HD12	LEU	V	86
R	H	CD2	LEU	A	106	L	-	HD13	LEU	V	86
R	H	CZ	PHE	A	107	L	H	HZ	PHE	V	28
R	H	CZ	PHE	A	107	L	H	HD22	LEU	V	32
R	H	CZ	PHE	A	107	L	H	HD23	LEU	V	32
R	H	CB	ILE	A	153	L	-	HB3	LEU	V	86
R	H	CG1	ILE	A	153	L	-	CB	LEU	V	86
R	H	CG1	ILE	A	153	L	-	HB3	LEU	V	86
R	H	CG1	ILE	A	153	L	-	HD13	LEU	V	86
R	H	CG1	ILE	A	153	L	-	HD22	LEU	V	86
R	H	CG2	ILE	A	153	L	-	C	LEU	V	86
R	H	CG2	ILE	A	153	L	-	O	LEU	V	86
R	H	CG2	ILE	A	153	L	-	HB3	LEU	V	86
R	H	CG2	ILE	A	153	L	-	N	ALA	V	87
R	H	CG2	ILE	A	153	L	-	CA	ALA	V	87
R	H	CG2	ILE	A	153	L	-	HA	ALA	V	87
R	H	CD1	ILE	A	153	L	-	CB	LEU	V	86
R	H	CD1	ILE	A	153	L	-	O	LEU	V	86
R	H	CD1	ILE	A	153	L	-	HA	LEU	V	86
R	H	CD1	ILE	A	153	L	-	HB3	LEU	V	86
R	H	CD1	ILE	A	153	L	-	HD13	LEU	V	86
R	H	CD1	ILE	A	153	L	-	HD22	LEU	V	86
R	H	CG	MET	A	154	L	-	HZ3	LYS	V	88
R	H	SD	MET	A	154	L	-	HZ3	LYS	V	88
R	H	CB	THR	A	157	L	-	CB	ALA	V	87
R	H	CB	THR	A	157	L	-	HA	ALA	V	87
R	H	CB	THR	A	157	L	-	HB1	ALA	V	87
R	H	CB	THR	A	157	L	-	HB2	ALA	V	87
R	H	CG2	THR	A	157	L	H	HD22	ASN	V	83
R	H	CG2	THR	A	157	L	-	CB	ALA	V	87
R	H	CG2	THR	A	157	L	-	HB1	ALA	V	87
R	H	CG2	THR	A	157	L	-	HB2	ALA	V	87
R	H	CG2	THR	A	157	L	-	H	SER	V	89
R	H	OG1	THR	A	157	L	H	OD1	ASN	V	83
R	H	OG1	THR	A	157	L	H	HD22	ASN	V	83
R	H	OG1	THR	A	157	L	-	CA	ALA	V	87
R	H	OG1	THR	A	157	L	-	CB	ALA	V	87
R	H	OG1	THR	A	157	L	-	HA	ALA	V	87
R	H	OG1	THR	A	157	L	-	HB1	ALA	V	87
R	H	OG1	THR	A	157	L	-	HB2	ALA	V	87
R	H	OG1	THR	A	157	L	-	H	LYS	V	88
R	H	CA	PHE	A	164	L	H	OE1	GLU	V	96
R	H	C	PHE	A	164	L	H	OE1	GLU	V	96
R	H	C	PHE	A	164	L	H	HG3	GLU	V	96
R	H	CB	PHE	A	164	L	H	CG	GLU	V	96
R	H	CB	PHE	A	164	L	H	CD	GLU	V	96
R	H	CB	PHE	A	164	L	H	OE1	GLU	V	96
R	H	CB	PHE	A	164	L	H	HG2	GLU	V	96
R	H	O	PHE	A	164	L	S	OG	SER	V	93
R	H	O	PHE	A	164	L	H	HG	SER	V	95
R	H	O	PHE	A	164	L	H	CG	GLU	V	96
R	H	O	PHE	A	164	L	H	CD	GLU	V	96
R	H	O	PHE	A	164	L	H	OE1	GLU	V	96
R	H	O	PHE	A	164	L	H	HG2	GLU	V	96
R	H	O	PHE	A	164	L	H	HG3	GLU	V	96
R	H	CG	PHE	A	164	L	H	OE1	GLU	V	96
R	H	O	SER	A	165	L	H	HG	SER	V	95

- 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