IID

P50391_O00421.1 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	MET	A	104	L	H	LEU	V	61
R	H	MET	A	104	L	H	LYS	V	65
R	-	TYR	A	106	L	H	VAL	V	64
R	-	TYR	A	106	L	H	LYS	V	65
R	-	ILE	A	108	L	H	VAL	V	60
R	-	ILE	A	108	L	H	LEU	V	61
R	-	ILE	A	108	L	H	VAL	V	64
R	-	ILE	A	108	L	H	LEU	V	78
R	-	PHE	A	109	L	H	LEU	V	57
R	-	PHE	A	109	L	H	VAL	V	60
R	-	PHE	A	109	L	H	VAL	V	82
R	-	PHE	A	109	L	H	LEU	V	85
R	H	GLY	A	110	L	H	VAL	V	82
R	H	GLU	A	111	L	H	VAL	V	153
R	H	THR	A	112	L	H	VAL	V	112
R	H	THR	A	112	L	H	TRP	V	156
R	H	THR	A	112	L	H	CYS	V	86
R	H	LEU	A	113	L	H	VAL	V	82
R	H	LEU	A	113	L	H	LEU	V	85
R	H	LEU	A	113	L	H	CYS	V	86
R	H	LEU	A	113	L	H	LEU	V	89
R	H	MET	A	116	L	H	LEU	V	109
R	H	PHE	A	119	L	H	ILE	V	105
R	H	MET	A	123	L	H	ILE	V	105
R	H	TYR	A	157	L	-	GLN	V	177
R	H	TYR	A	157	L	-	LYS	V	178
R	H	VAL	A	161	L	H	ASP	V	100
R	H	VAL	A	161	L	H	PRO	V	101
R	H	VAL	A	161	L	-	TYR	V	179
R	H	TRP	A	164	L	H	PRO	V	101
R	H	TRP	A	164	L	H	MET	V	102
R	H	TRP	A	164	L	-	GLY	V	98
R	H	VAL	A	165	L	H	PRO	V	101
R	H	CYS	A	168	L	H	PRO	V	101
R	H	CYS	A	168	L	H	ILE	V	105
R	-	ASP	A	197	L	-	LEU	V	69
R	-	ASP	A	197	L	-	LYS	V	70
R	-	LYS	A	198	L	H	VAL	V	64
R	-	LYS	A	198	L	H	LYS	V	65
R	-	SER	A	343	L	-	GLN	V	39
R	H	LEU	A	60	L	-	HIS	V	96
R	H	MET	A	63	L	-	HIS	V	96
R	H	LEU	A	78	L	-	LYS	V	178
R	H	PHE	A	85	L	H	MET	V	102
R	H	PHE	A	85	L	H	PHE	V	93
R	H	PHE	A	85	L	-	HIS	V	96
R	H	PHE	A	85	L	-	ALA	V	97
R	H	PHE	A	85	L	-	GLY	V	98
R	H	PHE	A	88	L	H	PRO	V	92
R	H	PHE	A	88	L	H	PHE	V	93
R	H	LEU	A	89	L	H	MET	V	102
R	H	LEU	A	89	L	H	PHE	V	93
R	H	LEU	A	92	L	H	PHE	V	49
R	H	LEU	A	92	L	H	PRO	V	92
R	H	LEU	A	92	L	H	PHE	V	93
R	H	LEU	A	93	L	H	LEU	V	89
R	H	LEU	A	93	L	H	PHE	V	93

- 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

P50391_O00421.1 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	LEU	A	60	L	-	CG	HIS	V	96
R	H	CD1	LEU	A	60	L	-	CD2	HIS	V	96
R	H	CD1	LEU	A	60	L	-	ND1	HIS	V	96
R	H	CD1	LEU	A	60	L	-	CE1	HIS	V	96
R	H	CD1	LEU	A	60	L	-	NE2	HIS	V	96
R	H	CD1	LEU	A	60	L	-	HD2	HIS	V	96
R	H	CD1	LEU	A	60	L	-	HE1	HIS	V	96
R	H	SD	MET	A	63	L	-	HB2	HIS	V	96
R	H	CE	MET	A	63	L	-	HB2	HIS	V	96
R	H	CD1	LEU	A	78	L	-	HE2	LYS	V	178
R	H	CG	PHE	A	85	L	-	O	HIS	V	96
R	H	CG	PHE	A	85	L	-	HA	ALA	V	97
R	H	CG	PHE	A	85	L	-	H	GLY	V	98
R	H	CG	PHE	A	85	L	H	SD	MET	V	102
R	H	CG	PHE	A	85	L	H	CE	MET	V	102
R	H	CG	PHE	A	85	L	H	HE1	MET	V	102
R	H	CD1	PHE	A	85	L	-	HA	ALA	V	97
R	H	CD1	PHE	A	85	L	-	H	GLY	V	98
R	H	CD1	PHE	A	85	L	H	SD	MET	V	102
R	H	CD1	PHE	A	85	L	H	CE	MET	V	102
R	H	CD1	PHE	A	85	L	H	HE1	MET	V	102
R	H	CD2	PHE	A	85	L	H	HD1	PHE	V	93
R	H	CD2	PHE	A	85	L	-	C	HIS	V	96
R	H	CD2	PHE	A	85	L	-	O	HIS	V	96
R	H	CD2	PHE	A	85	L	-	HB2	HIS	V	96
R	H	CD2	PHE	A	85	L	-	HB3	HIS	V	96
R	H	CD2	PHE	A	85	L	-	HA	ALA	V	97
R	H	CD2	PHE	A	85	L	-	H	GLY	V	98
R	H	CD2	PHE	A	85	L	H	SD	MET	V	102
R	H	CD2	PHE	A	85	L	H	CE	MET	V	102
R	H	CD2	PHE	A	85	L	H	HE1	MET	V	102
R	H	CD2	PHE	A	85	L	H	HE2	MET	V	102
R	H	CE1	PHE	A	85	L	-	CA	ALA	V	97
R	H	CE1	PHE	A	85	L	-	HA	ALA	V	97
R	H	CE1	PHE	A	85	L	-	H	GLY	V	98
R	H	CE1	PHE	A	85	L	H	CB	MET	V	102
R	H	CE1	PHE	A	85	L	H	CG	MET	V	102
R	H	CE1	PHE	A	85	L	H	SD	MET	V	102
R	H	CE1	PHE	A	85	L	H	CE	MET	V	102
R	H	CE1	PHE	A	85	L	H	HB2	MET	V	102
R	H	CE1	PHE	A	85	L	H	HB3	MET	V	102
R	H	CE1	PHE	A	85	L	H	HG2	MET	V	102
R	H	CE1	PHE	A	85	L	H	HG3	MET	V	102
R	H	CE1	PHE	A	85	L	H	HE1	MET	V	102
R	H	CE1	PHE	A	85	L	H	HE2	MET	V	102
R	H	CE1	PHE	A	85	L	H	HE3	MET	V	102
R	H	CE2	PHE	A	85	L	H	CD1	PHE	V	93
R	H	CE2	PHE	A	85	L	H	HB3	PHE	V	93
R	H	CE2	PHE	A	85	L	H	HD1	PHE	V	93
R	H	CE2	PHE	A	85	L	-	C	HIS	V	96
R	H	CE2	PHE	A	85	L	-	O	HIS	V	96
R	H	CE2	PHE	A	85	L	-	HB2	HIS	V	96
R	H	CE2	PHE	A	85	L	-	HB3	HIS	V	96
R	H	CE2	PHE	A	85	L	-	N	ALA	V	97
R	H	CE2	PHE	A	85	L	-	CA	ALA	V	97
R	H	CE2	PHE	A	85	L	-	HA	ALA	V	97
R	H	CE2	PHE	A	85	L	-	HB1	ALA	V	97
R	H	CE2	PHE	A	85	L	-	H	GLY	V	98
R	H	CE2	PHE	A	85	L	H	SD	MET	V	102
R	H	CE2	PHE	A	85	L	H	CE	MET	V	102
R	H	CE2	PHE	A	85	L	H	HE1	MET	V	102
R	H	CE2	PHE	A	85	L	H	HE2	MET	V	102
R	H	CE2	PHE	A	85	L	H	HE3	MET	V	102
R	H	CZ	PHE	A	85	L	H	HB3	PHE	V	93
R	H	CZ	PHE	A	85	L	H	HD1	PHE	V	93
R	H	CZ	PHE	A	85	L	-	O	HIS	V	96
R	H	CZ	PHE	A	85	L	-	N	ALA	V	97
R	H	CZ	PHE	A	85	L	-	CA	ALA	V	97
R	H	CZ	PHE	A	85	L	-	CB	ALA	V	97
R	H	CZ	PHE	A	85	L	-	HA	ALA	V	97
R	H	CZ	PHE	A	85	L	-	HB1	ALA	V	97
R	H	CZ	PHE	A	85	L	-	HB2	ALA	V	97
R	H	CZ	PHE	A	85	L	-	H	GLY	V	98
R	H	CZ	PHE	A	85	L	H	CB	MET	V	102
R	H	CZ	PHE	A	85	L	H	CG	MET	V	102
R	H	CZ	PHE	A	85	L	H	SD	MET	V	102
R	H	CZ	PHE	A	85	L	H	CE	MET	V	102
R	H	CZ	PHE	A	85	L	H	HG2	MET	V	102
R	H	CZ	PHE	A	85	L	H	HG3	MET	V	102
R	H	CZ	PHE	A	85	L	H	HE1	MET	V	102
R	H	CZ	PHE	A	85	L	H	HE2	MET	V	102
R	H	CZ	PHE	A	85	L	H	HE3	MET	V	102
R	H	C	PHE	A	88	L	H	HE1	PHE	V	93
R	H	CB	PHE	A	88	L	H	HE1	PHE	V	93
R	H	O	PHE	A	88	L	H	HE1	PHE	V	93
R	H	O	PHE	A	88	L	H	HZ	PHE	V	93
R	H	CG	PHE	A	88	L	H	CE1	PHE	V	93
R	H	CG	PHE	A	88	L	H	HE1	PHE	V	93
R	H	CD1	PHE	A	88	L	H	CD1	PHE	V	93
R	H	CD1	PHE	A	88	L	H	CE1	PHE	V	93
R	H	CD1	PHE	A	88	L	H	CZ	PHE	V	93
R	H	CD1	PHE	A	88	L	H	HD1	PHE	V	93
R	H	CD1	PHE	A	88	L	H	HE1	PHE	V	93
R	H	CD1	PHE	A	88	L	H	HZ	PHE	V	93
R	H	CD2	PHE	A	88	L	H	HE1	PHE	V	93
R	H	CE1	PHE	A	88	L	H	CG	PHE	V	93
R	H	CE1	PHE	A	88	L	H	CD1	PHE	V	93
R	H	CE1	PHE	A	88	L	H	CE1	PHE	V	93
R	H	CE1	PHE	A	88	L	H	CZ	PHE	V	93
R	H	CE1	PHE	A	88	L	H	HA	PHE	V	93
R	H	CE1	PHE	A	88	L	H	HD1	PHE	V	93
R	H	CE1	PHE	A	88	L	H	HE1	PHE	V	93
R	H	CE1	PHE	A	88	L	H	HZ	PHE	V	93
R	H	CE2	PHE	A	88	L	H	HE1	PHE	V	93
R	H	CZ	PHE	A	88	L	H	HB2	PRO	V	92
R	H	CZ	PHE	A	88	L	H	CD1	PHE	V	93
R	H	CZ	PHE	A	88	L	H	CE1	PHE	V	93
R	H	CZ	PHE	A	88	L	H	CZ	PHE	V	93
R	H	CZ	PHE	A	88	L	H	HD1	PHE	V	93
R	H	CZ	PHE	A	88	L	H	HE1	PHE	V	93
R	H	CZ	PHE	A	88	L	H	HZ	PHE	V	93
R	H	N	LEU	A	89	L	H	HE1	PHE	V	93
R	H	CA	LEU	A	89	L	H	CE1	PHE	V	93
R	H	CA	LEU	A	89	L	H	CZ	PHE	V	93
R	H	CA	LEU	A	89	L	H	HE1	PHE	V	93
R	H	CA	LEU	A	89	L	H	HZ	PHE	V	93
R	H	O	LEU	A	89	L	H	HZ	PHE	V	93
R	H	CD1	LEU	A	89	L	H	CE1	PHE	V	93
R	H	CD1	LEU	A	89	L	H	CE2	PHE	V	93
R	H	CD1	LEU	A	89	L	H	CZ	PHE	V	93
R	H	CD1	LEU	A	89	L	H	HZ	PHE	V	93
R	H	CD1	LEU	A	89	L	H	HE3	MET	V	102
R	H	CA	LEU	A	92	L	H	HZ	PHE	V	93
R	H	CB	LEU	A	92	L	H	CZ	PHE	V	93
R	H	CB	LEU	A	92	L	H	HZ	PHE	V	93
R	H	CG	LEU	A	92	L	H	HZ	PHE	V	49
R	H	CG	LEU	A	92	L	H	HG3	PRO	V	92
R	H	CG	LEU	A	92	L	H	CE2	PHE	V	93
R	H	CG	LEU	A	92	L	H	CZ	PHE	V	93
R	H	CG	LEU	A	92	L	H	HE2	PHE	V	93
R	H	CG	LEU	A	92	L	H	HZ	PHE	V	93
R	H	CD1	LEU	A	92	L	H	CE1	PHE	V	49
R	H	CD1	LEU	A	92	L	H	CZ	PHE	V	49
R	H	CD1	LEU	A	92	L	H	HE1	PHE	V	49
R	H	CD1	LEU	A	92	L	H	HZ	PHE	V	49
R	H	CD1	LEU	A	92	L	H	HG3	PRO	V	92
R	H	CD1	LEU	A	92	L	H	HZ	PHE	V	93
R	H	CD2	LEU	A	92	L	H	HZ	PHE	V	49
R	H	CD2	LEU	A	92	L	H	CG	PRO	V	92
R	H	CD2	LEU	A	92	L	H	HB2	PRO	V	92
R	H	CD2	LEU	A	92	L	H	HG2	PRO	V	92
R	H	CD2	LEU	A	92	L	H	HG3	PRO	V	92
R	H	CD2	LEU	A	92	L	H	CD2	PHE	V	93
R	H	CD2	LEU	A	92	L	H	CE1	PHE	V	93
R	H	CD2	LEU	A	92	L	H	CE2	PHE	V	93
R	H	CD2	LEU	A	92	L	H	CZ	PHE	V	93
R	H	CD2	LEU	A	92	L	H	HE1	PHE	V	93
R	H	CD2	LEU	A	92	L	H	HE2	PHE	V	93
R	H	CD2	LEU	A	92	L	H	HZ	PHE	V	93
R	H	CA	LEU	A	93	L	H	HD22	LEU	V	89
R	H	CB	LEU	A	93	L	H	HD22	LEU	V	89
R	H	CG	LEU	A	93	L	H	CD2	LEU	V	89
R	H	CG	LEU	A	93	L	H	HB3	LEU	V	89
R	H	CG	LEU	A	93	L	H	HD12	LEU	V	89
R	H	CG	LEU	A	93	L	H	HD22	LEU	V	89
R	H	CG	LEU	A	93	L	H	CE2	PHE	V	93
R	H	CG	LEU	A	93	L	H	HE2	PHE	V	93
R	H	CG	LEU	A	93	L	H	HZ	PHE	V	93
R	H	CD1	LEU	A	93	L	H	HB3	LEU	V	89
R	H	CD1	LEU	A	93	L	H	HD12	LEU	V	89
R	H	CD1	LEU	A	93	L	H	HD22	LEU	V	89
R	H	CD1	LEU	A	93	L	H	CE2	PHE	V	93
R	H	CD1	LEU	A	93	L	H	HE2	PHE	V	93
R	H	CD2	LEU	A	93	L	H	CB	LEU	V	89
R	H	CD2	LEU	A	93	L	H	CG	LEU	V	89
R	H	CD2	LEU	A	93	L	H	CD1	LEU	V	89
R	H	CD2	LEU	A	93	L	H	CD2	LEU	V	89
R	H	CD2	LEU	A	93	L	H	HA	LEU	V	89
R	H	CD2	LEU	A	93	L	H	HB3	LEU	V	89
R	H	CD2	LEU	A	93	L	H	HD12	LEU	V	89
R	H	CD2	LEU	A	93	L	H	HD21	LEU	V	89
R	H	CD2	LEU	A	93	L	H	HD22	LEU	V	89
R	H	CD2	LEU	A	93	L	H	HD23	LEU	V	89
R	H	CD2	LEU	A	93	L	H	CE2	PHE	V	93
R	H	CD2	LEU	A	93	L	H	HE2	PHE	V	93
R	H	SD	MET	A	104	L	H	HD13	LEU	V	61
R	H	CE	MET	A	104	L	H	HD11	LEU	V	61
R	H	CE	MET	A	104	L	H	HD12	LEU	V	61
R	H	CE	MET	A	104	L	H	HB2	LYS	V	65
R	H	CE	MET	A	104	L	H	HD2	LYS	V	65
R	-	CD2	TYR	A	106	L	H	CG1	VAL	V	64
R	-	CD2	TYR	A	106	L	H	HG11	VAL	V	64
R	-	CD2	TYR	A	106	L	H	HG12	VAL	V	64
R	-	CD2	TYR	A	106	L	H	HG13	VAL	V	64
R	-	CE2	TYR	A	106	L	H	CG1	VAL	V	64
R	-	CE2	TYR	A	106	L	H	HG11	VAL	V	64
R	-	CE2	TYR	A	106	L	H	HG12	VAL	V	64
R	-	CE2	TYR	A	106	L	H	HG13	VAL	V	64
R	-	OH	TYR	A	106	L	H	CG1	VAL	V	64
R	-	OH	TYR	A	106	L	H	HG11	VAL	V	64
R	-	OH	TYR	A	106	L	H	HG12	VAL	V	64
R	-	OH	TYR	A	106	L	H	HG13	VAL	V	64
R	-	OH	TYR	A	106	L	H	HA	LYS	V	65
R	-	OH	TYR	A	106	L	H	HB2	LYS	V	65
R	-	OH	TYR	A	106	L	H	HG3	LYS	V	65
R	-	CZ	TYR	A	106	L	H	CG1	VAL	V	64
R	-	CZ	TYR	A	106	L	H	HG11	VAL	V	64
R	-	CZ	TYR	A	106	L	H	HG12	VAL	V	64
R	-	CZ	TYR	A	106	L	H	HG13	VAL	V	64
R	-	CA	ILE	A	108	L	H	HG12	VAL	V	60
R	-	CA	ILE	A	108	L	H	HG13	VAL	V	60
R	-	CA	ILE	A	108	L	H	HG23	VAL	V	64
R	-	C	ILE	A	108	L	H	CG1	VAL	V	60
R	-	C	ILE	A	108	L	H	HG12	VAL	V	60
R	-	C	ILE	A	108	L	H	HG13	VAL	V	60
R	-	C	ILE	A	108	L	H	HG23	VAL	V	64
R	-	C	ILE	A	108	L	H	HD13	LEU	V	78
R	-	CB	ILE	A	108	L	H	CG1	VAL	V	60
R	-	CB	ILE	A	108	L	H	HG11	VAL	V	60
R	-	CB	ILE	A	108	L	H	HG12	VAL	V	60
R	-	CB	ILE	A	108	L	H	HG13	VAL	V	60
R	-	CB	ILE	A	108	L	H	CG2	VAL	V	64
R	-	CB	ILE	A	108	L	H	HG13	VAL	V	64
R	-	CB	ILE	A	108	L	H	HG23	VAL	V	64
R	-	O	ILE	A	108	L	H	CG1	VAL	V	60
R	-	O	ILE	A	108	L	H	HG11	VAL	V	60
R	-	O	ILE	A	108	L	H	HG12	VAL	V	60
R	-	O	ILE	A	108	L	H	HG13	VAL	V	60
R	-	O	ILE	A	108	L	H	HG22	VAL	V	60
R	-	O	ILE	A	108	L	H	HG23	VAL	V	60
R	-	O	ILE	A	108	L	H	HG23	VAL	V	64
R	-	O	ILE	A	108	L	H	CD1	LEU	V	78
R	-	O	ILE	A	108	L	H	HD11	LEU	V	78
R	-	O	ILE	A	108	L	H	HD13	LEU	V	78
R	-	O	ILE	A	108	L	H	HD23	LEU	V	78
R	-	CG1	ILE	A	108	L	H	CG1	VAL	V	60
R	-	CG1	ILE	A	108	L	H	HG11	VAL	V	60
R	-	CG1	ILE	A	108	L	H	HG12	VAL	V	60
R	-	CG1	ILE	A	108	L	H	HG13	VAL	V	60
R	-	CG1	ILE	A	108	L	H	HG23	VAL	V	64
R	-	CG2	ILE	A	108	L	H	HG11	VAL	V	60
R	-	CG2	ILE	A	108	L	H	CB	VAL	V	64
R	-	CG2	ILE	A	108	L	H	CG1	VAL	V	64
R	-	CG2	ILE	A	108	L	H	CG2	VAL	V	64
R	-	CG2	ILE	A	108	L	H	HB	VAL	V	64
R	-	CG2	ILE	A	108	L	H	HG11	VAL	V	64
R	-	CG2	ILE	A	108	L	H	HG12	VAL	V	64
R	-	CG2	ILE	A	108	L	H	HG13	VAL	V	64
R	-	CG2	ILE	A	108	L	H	HG23	VAL	V	64
R	-	CD1	ILE	A	108	L	H	CG1	VAL	V	60
R	-	CD1	ILE	A	108	L	H	HG11	VAL	V	60
R	-	CD1	ILE	A	108	L	H	HG12	VAL	V	60
R	-	CD1	ILE	A	108	L	H	HG13	VAL	V	60
R	-	CD1	ILE	A	108	L	H	HA	LEU	V	61
R	-	N	PHE	A	109	L	H	HG12	VAL	V	60
R	-	CA	PHE	A	109	L	H	CG2	VAL	V	82
R	-	CA	PHE	A	109	L	H	HG22	VAL	V	82
R	-	CA	PHE	A	109	L	H	HG23	VAL	V	82
R	-	C	PHE	A	109	L	H	CG1	VAL	V	82
R	-	C	PHE	A	109	L	H	CG2	VAL	V	82
R	-	C	PHE	A	109	L	H	HG12	VAL	V	82
R	-	C	PHE	A	109	L	H	HG13	VAL	V	82
R	-	C	PHE	A	109	L	H	HG22	VAL	V	82
R	-	C	PHE	A	109	L	H	HG23	VAL	V	82
R	-	O	PHE	A	109	L	H	CB	VAL	V	82
R	-	O	PHE	A	109	L	H	CG1	VAL	V	82
R	-	O	PHE	A	109	L	H	CG2	VAL	V	82
R	-	O	PHE	A	109	L	H	HG11	VAL	V	82
R	-	O	PHE	A	109	L	H	HG12	VAL	V	82
R	-	O	PHE	A	109	L	H	HG13	VAL	V	82
R	-	O	PHE	A	109	L	H	HG21	VAL	V	82
R	-	O	PHE	A	109	L	H	HG22	VAL	V	82
R	-	O	PHE	A	109	L	H	HG23	VAL	V	82
R	-	CD1	PHE	A	109	L	H	CD2	LEU	V	57
R	-	CD1	PHE	A	109	L	H	HD21	LEU	V	57
R	-	CD1	PHE	A	109	L	H	HD22	LEU	V	57
R	-	CD1	PHE	A	109	L	H	HD23	LEU	V	57
R	-	CD1	PHE	A	109	L	H	HG12	VAL	V	60
R	-	CD1	PHE	A	109	L	H	HD13	LEU	V	85
R	-	CE1	PHE	A	109	L	H	CD2	LEU	V	57
R	-	CE1	PHE	A	109	L	H	HD21	LEU	V	57
R	-	CE1	PHE	A	109	L	H	HD22	LEU	V	57
R	-	CE1	PHE	A	109	L	H	HD23	LEU	V	57
R	-	CE1	PHE	A	109	L	H	HG12	VAL	V	60
R	-	CZ	PHE	A	109	L	H	HD22	LEU	V	57
R	-	CZ	PHE	A	109	L	H	HD23	LEU	V	57
R	H	N	GLY	A	110	L	H	CG2	VAL	V	82
R	H	N	GLY	A	110	L	H	HG22	VAL	V	82
R	H	N	GLY	A	110	L	H	HG23	VAL	V	82
R	H	CA	GLY	A	110	L	H	HG13	VAL	V	82
R	H	CA	GLY	A	110	L	H	HG22	VAL	V	82
R	H	C	GLY	A	110	L	H	HG13	VAL	V	82
R	H	CD	GLU	A	111	L	H	HG22	VAL	V	153
R	H	OE2	GLU	A	111	L	H	CG2	VAL	V	153
R	H	OE2	GLU	A	111	L	H	HG12	VAL	V	153
R	H	OE2	GLU	A	111	L	H	HG22	VAL	V	153
R	H	CB	THR	A	112	L	H	CZ3	TRP	V	156
R	H	CG2	THR	A	112	L	H	SG	CYS	V	86
R	H	CG2	THR	A	112	L	H	HG12	VAL	V	112
R	H	CG2	THR	A	112	L	H	CZ3	TRP	V	156
R	H	CG2	THR	A	112	L	H	HZ3	TRP	V	156
R	H	OG1	THR	A	112	L	H	CD2	TRP	V	156
R	H	OG1	THR	A	112	L	H	CE2	TRP	V	156
R	H	OG1	THR	A	112	L	H	CE3	TRP	V	156
R	H	OG1	THR	A	112	L	H	CH2	TRP	V	156
R	H	OG1	THR	A	112	L	H	CZ2	TRP	V	156
R	H	OG1	THR	A	112	L	H	CZ3	TRP	V	156
R	H	OG1	THR	A	112	L	H	HE3	TRP	V	156
R	H	OG1	THR	A	112	L	H	HZ3	TRP	V	156
R	H	CG	LEU	A	113	L	H	HG12	VAL	V	82
R	H	CG	LEU	A	113	L	H	HG	CYS	V	86
R	H	CD1	LEU	A	113	L	H	HG12	VAL	V	82
R	H	CD1	LEU	A	113	L	H	HB2	LEU	V	85
R	H	CD1	LEU	A	113	L	H	HB3	LEU	V	85
R	H	CD1	LEU	A	113	L	H	HD13	LEU	V	85
R	H	CD2	LEU	A	113	L	H	CD1	LEU	V	89
R	H	CD2	LEU	A	113	L	H	HD11	LEU	V	89
R	H	CD2	LEU	A	113	L	H	HD13	LEU	V	89
R	H	CG	MET	A	116	L	H	HD22	LEU	V	109
R	H	SD	MET	A	116	L	H	HD22	LEU	V	109
R	H	CE	MET	A	116	L	H	CG	LEU	V	109
R	H	CE	MET	A	116	L	H	CD2	LEU	V	109
R	H	CE	MET	A	116	L	H	HG	LEU	V	109
R	H	CE	MET	A	116	L	H	HD21	LEU	V	109
R	H	CE	MET	A	116	L	H	HD22	LEU	V	109
R	H	CE1	PHE	A	119	L	H	HD11	ILE	V	105
R	H	CE1	PHE	A	119	L	H	HD12	ILE	V	105
R	H	CZ	PHE	A	119	L	H	HD11	ILE	V	105
R	H	SD	MET	A	123	L	H	CD1	ILE	V	105
R	H	SD	MET	A	123	L	H	HD11	ILE	V	105
R	H	SD	MET	A	123	L	H	HD12	ILE	V	105
R	H	SD	MET	A	123	L	H	HD13	ILE	V	105
R	H	CE	MET	A	123	L	H	CD1	ILE	V	105
R	H	CE	MET	A	123	L	H	HD11	ILE	V	105
R	H	CE	MET	A	123	L	H	HD12	ILE	V	105
R	H	CE	MET	A	123	L	H	HD13	ILE	V	105
R	H	CG	TYR	A	157	L	-	O	GLN	V	177
R	H	CD1	TYR	A	157	L	-	HA	LYS	V	178
R	H	CD1	TYR	A	157	L	-	HG2	LYS	V	178
R	H	CD2	TYR	A	157	L	-	O	GLN	V	177
R	H	CD2	TYR	A	157	L	-	HG2	LYS	V	178
R	H	CE1	TYR	A	157	L	-	O	GLN	V	177
R	H	CE1	TYR	A	157	L	-	CA	LYS	V	178
R	H	CE1	TYR	A	157	L	-	CB	LYS	V	178
R	H	CE1	TYR	A	157	L	-	CG	LYS	V	178
R	H	CE1	TYR	A	157	L	-	HA	LYS	V	178
R	H	CE1	TYR	A	157	L	-	HB3	LYS	V	178
R	H	CE1	TYR	A	157	L	-	HG2	LYS	V	178
R	H	CE1	TYR	A	157	L	-	HG3	LYS	V	178
R	H	CE1	TYR	A	157	L	-	HD3	LYS	V	178
R	H	CE1	TYR	A	157	L	-	HE2	LYS	V	178
R	H	CE2	TYR	A	157	L	-	C	GLN	V	177
R	H	CE2	TYR	A	157	L	-	O	GLN	V	177
R	H	CE2	TYR	A	157	L	-	CG	LYS	V	178
R	H	CE2	TYR	A	157	L	-	HA	LYS	V	178
R	H	CE2	TYR	A	157	L	-	HG2	LYS	V	178
R	H	CE2	TYR	A	157	L	-	HG3	LYS	V	178
R	H	CE2	TYR	A	157	L	-	HE2	LYS	V	178
R	H	CE2	TYR	A	157	L	-	HE3	LYS	V	178
R	H	OH	TYR	A	157	L	-	CA	LYS	V	178
R	H	OH	TYR	A	157	L	-	CB	LYS	V	178
R	H	OH	TYR	A	157	L	-	CG	LYS	V	178
R	H	OH	TYR	A	157	L	-	CD	LYS	V	178
R	H	OH	TYR	A	157	L	-	CE	LYS	V	178
R	H	OH	TYR	A	157	L	-	NZ	LYS	V	178
R	H	OH	TYR	A	157	L	-	HA	LYS	V	178
R	H	OH	TYR	A	157	L	-	HB2	LYS	V	178
R	H	OH	TYR	A	157	L	-	HB3	LYS	V	178
R	H	OH	TYR	A	157	L	-	HG2	LYS	V	178
R	H	OH	TYR	A	157	L	-	HG3	LYS	V	178
R	H	OH	TYR	A	157	L	-	HD2	LYS	V	178
R	H	OH	TYR	A	157	L	-	HD3	LYS	V	178
R	H	OH	TYR	A	157	L	-	HE2	LYS	V	178
R	H	OH	TYR	A	157	L	-	HE3	LYS	V	178
R	H	OH	TYR	A	157	L	-	HZ1	LYS	V	178
R	H	OH	TYR	A	157	L	-	HZ2	LYS	V	178
R	H	CZ	TYR	A	157	L	-	O	GLN	V	177
R	H	CZ	TYR	A	157	L	-	CA	LYS	V	178
R	H	CZ	TYR	A	157	L	-	CB	LYS	V	178
R	H	CZ	TYR	A	157	L	-	CG	LYS	V	178
R	H	CZ	TYR	A	157	L	-	CD	LYS	V	178
R	H	CZ	TYR	A	157	L	-	CE	LYS	V	178
R	H	CZ	TYR	A	157	L	-	HA	LYS	V	178
R	H	CZ	TYR	A	157	L	-	HB3	LYS	V	178
R	H	CZ	TYR	A	157	L	-	HG2	LYS	V	178
R	H	CZ	TYR	A	157	L	-	HG3	LYS	V	178
R	H	CZ	TYR	A	157	L	-	HD3	LYS	V	178
R	H	CZ	TYR	A	157	L	-	HE2	LYS	V	178
R	H	CZ	TYR	A	157	L	-	HE3	LYS	V	178
R	H	O	VAL	A	161	L	H	HG3	PRO	V	101
R	H	O	VAL	A	161	L	H	HD2	PRO	V	101
R	H	CG1	VAL	A	161	L	H	HB2	ASP	V	100
R	H	CG2	VAL	A	161	L	H	H	ASP	V	100
R	H	CG2	VAL	A	161	L	-	CE2	TYR	V	179
R	H	CG2	VAL	A	161	L	-	HD2	TYR	V	179
R	H	CG2	VAL	A	161	L	-	HE2	TYR	V	179
R	H	N	TRP	A	164	L	H	HG3	PRO	V	101
R	H	CA	TRP	A	164	L	H	CG	PRO	V	101
R	H	CA	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CA	TRP	A	164	L	H	HG3	PRO	V	101
R	H	C	TRP	A	164	L	H	CG	PRO	V	101
R	H	C	TRP	A	164	L	H	HB3	PRO	V	101
R	H	C	TRP	A	164	L	H	HG3	PRO	V	101
R	H	CB	TRP	A	164	L	H	CB	PRO	V	101
R	H	CB	TRP	A	164	L	H	CG	PRO	V	101
R	H	CB	TRP	A	164	L	H	CD	PRO	V	101
R	H	CB	TRP	A	164	L	H	HB2	PRO	V	101
R	H	CB	TRP	A	164	L	H	HB3	PRO	V	101
R	H	CB	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CB	TRP	A	164	L	H	HG3	PRO	V	101
R	H	CB	TRP	A	164	L	H	HD2	PRO	V	101
R	H	CB	TRP	A	164	L	H	HD3	PRO	V	101
R	H	O	TRP	A	164	L	H	HB2	PRO	V	101
R	H	O	TRP	A	164	L	H	HB3	PRO	V	101
R	H	O	TRP	A	164	L	H	HG3	PRO	V	101
R	H	CG	TRP	A	164	L	H	CB	PRO	V	101
R	H	CG	TRP	A	164	L	H	CG	PRO	V	101
R	H	CG	TRP	A	164	L	H	CD	PRO	V	101
R	H	CG	TRP	A	164	L	H	HB2	PRO	V	101
R	H	CG	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CG	TRP	A	164	L	H	HG3	PRO	V	101
R	H	CG	TRP	A	164	L	H	HD3	PRO	V	101
R	H	CD1	TRP	A	164	L	H	CG	PRO	V	101
R	H	CD1	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CD1	TRP	A	164	L	H	HG3	PRO	V	101
R	H	CD1	TRP	A	164	L	H	HD3	PRO	V	101
R	H	CD2	TRP	A	164	L	H	CG	PRO	V	101
R	H	CD2	TRP	A	164	L	H	HB2	PRO	V	101
R	H	CD2	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CD2	TRP	A	164	L	H	HG3	PRO	V	101
R	H	CD2	TRP	A	164	L	H	HB2	MET	V	102
R	H	CE2	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CE2	TRP	A	164	L	H	HB2	MET	V	102
R	H	CE3	TRP	A	164	L	H	CB	PRO	V	101
R	H	CE3	TRP	A	164	L	H	CG	PRO	V	101
R	H	CE3	TRP	A	164	L	H	HB2	PRO	V	101
R	H	CE3	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CE3	TRP	A	164	L	H	HG3	PRO	V	101
R	H	CE3	TRP	A	164	L	H	H	MET	V	102
R	H	CE3	TRP	A	164	L	H	HB2	MET	V	102
R	H	NE1	TRP	A	164	L	-	O	GLY	V	98
R	H	NE1	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CH2	TRP	A	164	L	H	SD	MET	V	102
R	H	CH2	TRP	A	164	L	H	HB2	MET	V	102
R	H	CZ2	TRP	A	164	L	H	HB2	MET	V	102
R	H	CZ3	TRP	A	164	L	H	HG2	PRO	V	101
R	H	CZ3	TRP	A	164	L	H	HB2	MET	V	102
R	H	N	VAL	A	165	L	H	HB3	PRO	V	101
R	H	N	VAL	A	165	L	H	HG3	PRO	V	101
R	H	SG	CYS	A	168	L	H	CB	PRO	V	101
R	H	SG	CYS	A	168	L	H	HB2	PRO	V	101
R	H	SG	CYS	A	168	L	H	HB3	PRO	V	101
R	H	SG	CYS	A	168	L	H	HD11	ILE	V	105
R	-	CB	ASP	A	197	L	-	HB2	LEU	V	69
R	-	O	ASP	A	197	L	-	HB2	LEU	V	69
R	-	O	ASP	A	197	L	-	HD13	LEU	V	69
R	-	CG	ASP	A	197	L	-	HG2	LYS	V	70
R	-	OD2	ASP	A	197	L	-	CG	LYS	V	70
R	-	OD2	ASP	A	197	L	-	CE	LYS	V	70
R	-	OD2	ASP	A	197	L	-	HA	LYS	V	70
R	-	OD2	ASP	A	197	L	-	HG2	LYS	V	70
R	-	OD2	ASP	A	197	L	-	HG3	LYS	V	70
R	-	OD2	ASP	A	197	L	-	HE2	LYS	V	70
R	-	OD2	ASP	A	197	L	-	HE3	LYS	V	70
R	-	CD	LYS	A	198	L	H	HG11	VAL	V	64
R	-	CD	LYS	A	198	L	H	HG12	VAL	V	64
R	-	CE	LYS	A	198	L	H	O	VAL	V	64
R	-	CE	LYS	A	198	L	H	CG1	VAL	V	64
R	-	CE	LYS	A	198	L	H	HG11	VAL	V	64
R	-	CE	LYS	A	198	L	H	HG12	VAL	V	64
R	-	NZ	LYS	A	198	L	H	CA	VAL	V	64
R	-	NZ	LYS	A	198	L	H	C	VAL	V	64
R	-	NZ	LYS	A	198	L	H	CB	VAL	V	64
R	-	NZ	LYS	A	198	L	H	O	VAL	V	64
R	-	NZ	LYS	A	198	L	H	CG1	VAL	V	64
R	-	NZ	LYS	A	198	L	H	HA	VAL	V	64
R	-	NZ	LYS	A	198	L	H	HG11	VAL	V	64
R	-	NZ	LYS	A	198	L	H	HG12	VAL	V	64
R	-	NZ	LYS	A	198	L	H	HG13	VAL	V	64
R	-	NZ	LYS	A	198	L	H	N	LYS	V	65
R	-	NZ	LYS	A	198	L	H	HA	LYS	V	65
R	-	CB	SER	A	343	L	-	HE22	GLN	V	39
R	-	OG	SER	A	343	L	-	HE22	GLN	V	39

- 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