IID

P12838_P60022.1 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	-	ASP	A	41	L	-	ARG	V	61
R	-	ILE	A	42	L	-	ARG	V	61
R	-	SER	A	43	L	-	ARG	V	61
R	-	ILE	A	44	L	-	ARG	V	61
R	-	SER	A	45	L	S	THR	V	58
R	-	SER	A	45	L	-	ARG	V	61
R	-	SER	A	45	L	-	GLY	V	62
R	-	PHE	A	46	L	-	ARG	V	61
R	-	PHE	A	46	L	-	GLY	V	62
R	-	PHE	A	46	L	-	LYS	V	63
R	-	TRP	A	48	L	-	TYR	V	46
R	-	TRP	A	48	L	-	LYS	V	63
R	-	TRP	A	48	L	S	LYS	V	65
R	H	LYS	A	50	L	-	ALA	V	48
R	H	LYS	A	50	L	-	CYS	V	49
R	H	LYS	A	50	L	S	ILE	V	55
R	H	LYS	A	50	L	S	LYS	V	65
R	-	ALA	A	53	L	-	TYR	V	46
R	-	ALA	A	53	L	-	SER	V	47
R	-	ALA	A	53	L	-	ALA	V	48
R	-	THR	A	60	L	H	HIS	V	34
R	-	THR	A	60	L	S	CYS	V	44
R	-	THR	A	60	L	S	LEU	V	45
R	-	THR	A	60	L	-	TYR	V	46
R	-	THR	A	60	L	-	TYR	V	60
R	-	ARG	A	61	L	H	HIS	V	34
R	-	ARG	A	61	L	H	VAL	V	38
R	-	ARG	A	61	L	-	GLY	V	41
R	-	ARG	A	61	L	-	GLY	V	42
R	-	ARG	A	61	L	S	GLN	V	43
R	-	ARG	A	61	L	S	CYS	V	44
R	-	ARG	A	61	L	-	TYR	V	60
R	-	GLY	A	62	L	H	HIS	V	34
R	-	GLY	A	62	L	H	VAL	V	38
R	S	MET	A	63	L	H	HIS	V	34
R	S	MET	A	63	L	-	TYR	V	60
R	S	VAL	A	64	L	-	SER	V	32
R	S	VAL	A	64	L	H	HIS	V	34
R	S	VAL	A	64	L	-	TYR	V	60
R	S	CYS	A	65	L	-	TYR	V	46
R	S	CYS	A	65	L	-	TYR	V	60
R	S	CYS	A	65	L	-	ARG	V	61
R	S	SER	A	66	L	-	ARG	V	61
R	S	CYS	A	67	L	-	LYS	V	63
R	S	CYS	A	82	L	-	LYS	V	63
R	S	TYR	A	91	L	-	TYR	V	46
R	S	TYR	A	91	L	-	TYR	V	60
R	S	TYR	A	91	L	-	LYS	V	63
R	-	VAL	A	96	L	H	HIS	V	34
R	-	VAL	A	96	L	H	TYR	V	35

- 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

P12838_P60022.1 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	-	CG	ASP	A	41	L	-	NH2	ARG	V	61
R	-	CG	ASP	A	41	L	-	HH21	ARG	V	61
R	-	CG	ASP	A	41	L	-	HH22	ARG	V	61
R	-	OD1	ASP	A	41	L	-	NE	ARG	V	61
R	-	OD1	ASP	A	41	L	-	NH1	ARG	V	61
R	-	OD1	ASP	A	41	L	-	NH2	ARG	V	61
R	-	OD1	ASP	A	41	L	-	CZ	ARG	V	61
R	-	OD1	ASP	A	41	L	-	HE	ARG	V	61
R	-	OD1	ASP	A	41	L	-	HH12	ARG	V	61
R	-	OD1	ASP	A	41	L	-	HH21	ARG	V	61
R	-	OD1	ASP	A	41	L	-	HH22	ARG	V	61
R	-	OD2	ASP	A	41	L	-	NH2	ARG	V	61
R	-	OD2	ASP	A	41	L	-	HH21	ARG	V	61
R	-	OD2	ASP	A	41	L	-	HH22	ARG	V	61
R	-	C	ILE	A	42	L	-	HD3	ARG	V	61
R	-	O	ILE	A	42	L	-	NH1	ARG	V	61
R	-	O	ILE	A	42	L	-	HD3	ARG	V	61
R	-	O	ILE	A	42	L	-	HH11	ARG	V	61
R	-	O	ILE	A	42	L	-	HH12	ARG	V	61
R	-	N	SER	A	43	L	-	HD3	ARG	V	61
R	-	CA	SER	A	43	L	-	HB3	ARG	V	61
R	-	CA	SER	A	43	L	-	HD3	ARG	V	61
R	-	C	SER	A	43	L	-	HB3	ARG	V	61
R	-	C	SER	A	43	L	-	HD3	ARG	V	61
R	-	OG	SER	A	43	L	-	HA	ARG	V	61
R	-	OG	SER	A	43	L	-	HB3	ARG	V	61
R	-	OG	SER	A	43	L	-	HG2	ARG	V	61
R	-	N	ILE	A	44	L	-	HB3	ARG	V	61
R	-	N	ILE	A	44	L	-	HD3	ARG	V	61
R	-	CA	ILE	A	44	L	-	HB3	ARG	V	61
R	-	C	ILE	A	44	L	-	O	ARG	V	61
R	-	C	ILE	A	44	L	-	HB3	ARG	V	61
R	-	O	ILE	A	44	L	-	C	ARG	V	61
R	-	O	ILE	A	44	L	-	CB	ARG	V	61
R	-	O	ILE	A	44	L	-	O	ARG	V	61
R	-	O	ILE	A	44	L	-	HB2	ARG	V	61
R	-	O	ILE	A	44	L	-	HB3	ARG	V	61
R	-	N	SER	A	45	L	-	O	ARG	V	61
R	-	CA	SER	A	45	L	-	C	ARG	V	61
R	-	CA	SER	A	45	L	-	O	ARG	V	61
R	-	CA	SER	A	45	L	-	CA	GLY	V	62
R	-	CA	SER	A	45	L	-	HA3	GLY	V	62
R	-	C	SER	A	45	L	-	O	ARG	V	61
R	-	C	SER	A	45	L	-	HA3	GLY	V	62
R	-	CB	SER	A	45	L	-	HA3	GLY	V	62
R	-	OG	SER	A	45	L	S	HG21	THR	V	58
R	-	OG	SER	A	45	L	-	CA	GLY	V	62
R	-	OG	SER	A	45	L	-	HA2	GLY	V	62
R	-	OG	SER	A	45	L	-	HA3	GLY	V	62
R	-	N	PHE	A	46	L	-	O	ARG	V	61
R	-	N	PHE	A	46	L	-	CA	GLY	V	62
R	-	N	PHE	A	46	L	-	C	GLY	V	62
R	-	N	PHE	A	46	L	-	O	GLY	V	62
R	-	N	PHE	A	46	L	-	HA3	GLY	V	62
R	-	CA	PHE	A	46	L	-	O	GLY	V	62
R	-	C	PHE	A	46	L	-	O	GLY	V	62
R	-	CB	PHE	A	46	L	-	HA	LYS	V	63
R	-	CB	PHE	A	46	L	-	HG3	LYS	V	63
R	-	O	PHE	A	46	L	-	CA	GLY	V	62
R	-	O	PHE	A	46	L	-	C	GLY	V	62
R	-	O	PHE	A	46	L	-	O	GLY	V	62
R	-	O	PHE	A	46	L	-	HA3	GLY	V	62
R	-	O	PHE	A	46	L	-	HA	LYS	V	63
R	-	CD2	PHE	A	46	L	-	HG3	LYS	V	63
R	-	CD2	PHE	A	46	L	-	HE2	LYS	V	63
R	-	CE2	PHE	A	46	L	-	HE2	LYS	V	63
R	-	CB	TRP	A	48	L	-	O	LYS	V	63
R	-	O	TRP	A	48	L	S	HE3	LYS	V	65
R	-	CG	TRP	A	48	L	-	O	TYR	V	46
R	-	CD1	TRP	A	48	L	-	O	TYR	V	46
R	-	CE2	TRP	A	48	L	-	O	TYR	V	46
R	-	CE2	TRP	A	48	L	-	HB3	TYR	V	46
R	-	CE3	TRP	A	48	L	-	HD1	TYR	V	46
R	-	CE3	TRP	A	48	L	-	O	LYS	V	63
R	-	NE1	TRP	A	48	L	-	O	TYR	V	46
R	-	CZ2	TRP	A	48	L	-	HB3	TYR	V	46
R	-	CZ3	TRP	A	48	L	-	HD1	TYR	V	46
R	H	N	LYS	A	50	L	S	HZ1	LYS	V	65
R	H	CA	LYS	A	50	L	S	HZ1	LYS	V	65
R	H	CA	LYS	A	50	L	S	HZ2	LYS	V	65
R	H	CB	LYS	A	50	L	S	NZ	LYS	V	65
R	H	CB	LYS	A	50	L	S	HZ1	LYS	V	65
R	H	CB	LYS	A	50	L	S	HZ2	LYS	V	65
R	H	CB	LYS	A	50	L	S	HZ3	LYS	V	65
R	H	CG	LYS	A	50	L	-	HA	ALA	V	48
R	H	CG	LYS	A	50	L	-	HB2	ALA	V	48
R	H	CG	LYS	A	50	L	S	CE	LYS	V	65
R	H	CG	LYS	A	50	L	S	NZ	LYS	V	65
R	H	CG	LYS	A	50	L	S	HE3	LYS	V	65
R	H	CG	LYS	A	50	L	S	HZ1	LYS	V	65
R	H	CG	LYS	A	50	L	S	HZ2	LYS	V	65
R	H	CG	LYS	A	50	L	S	HZ3	LYS	V	65
R	H	CD	LYS	A	50	L	-	CB	ALA	V	48
R	H	CD	LYS	A	50	L	-	HA	ALA	V	48
R	H	CD	LYS	A	50	L	-	HB2	ALA	V	48
R	H	CD	LYS	A	50	L	S	CE	LYS	V	65
R	H	CD	LYS	A	50	L	S	NZ	LYS	V	65
R	H	CD	LYS	A	50	L	S	HE2	LYS	V	65
R	H	CD	LYS	A	50	L	S	HZ1	LYS	V	65
R	H	CD	LYS	A	50	L	S	HZ2	LYS	V	65
R	H	CD	LYS	A	50	L	S	HZ3	LYS	V	65
R	H	CE	LYS	A	50	L	-	CA	ALA	V	48
R	H	CE	LYS	A	50	L	-	CB	ALA	V	48
R	H	CE	LYS	A	50	L	-	HA	ALA	V	48
R	H	CE	LYS	A	50	L	-	HB1	ALA	V	48
R	H	CE	LYS	A	50	L	-	HB2	ALA	V	48
R	H	CE	LYS	A	50	L	-	N	CYS	V	49
R	H	CE	LYS	A	50	L	-	H	CYS	V	49
R	H	CE	LYS	A	50	L	S	HD11	ILE	V	55
R	H	CE	LYS	A	50	L	S	CD	LYS	V	65
R	H	CE	LYS	A	50	L	S	CE	LYS	V	65
R	H	CE	LYS	A	50	L	S	NZ	LYS	V	65
R	H	CE	LYS	A	50	L	S	HD2	LYS	V	65
R	H	CE	LYS	A	50	L	S	HD3	LYS	V	65
R	H	CE	LYS	A	50	L	S	HE2	LYS	V	65
R	H	CE	LYS	A	50	L	S	HZ1	LYS	V	65
R	H	CE	LYS	A	50	L	S	HZ2	LYS	V	65
R	H	CE	LYS	A	50	L	S	HZ3	LYS	V	65
R	H	NZ	LYS	A	50	L	-	HA	ALA	V	48
R	H	NZ	LYS	A	50	L	-	HB1	ALA	V	48
R	H	NZ	LYS	A	50	L	-	H	CYS	V	49
R	H	NZ	LYS	A	50	L	S	CD1	ILE	V	55
R	H	NZ	LYS	A	50	L	S	HD11	ILE	V	55
R	H	NZ	LYS	A	50	L	S	NZ	LYS	V	65
R	H	NZ	LYS	A	50	L	S	HD3	LYS	V	65
R	H	NZ	LYS	A	50	L	S	HZ1	LYS	V	65
R	H	NZ	LYS	A	50	L	S	HZ2	LYS	V	65
R	H	NZ	LYS	A	50	L	S	HZ3	LYS	V	65
R	-	CA	ALA	A	53	L	-	HA	SER	V	47
R	-	CA	ALA	A	53	L	-	HB3	SER	V	47
R	-	C	ALA	A	53	L	-	HB3	SER	V	47
R	-	CB	ALA	A	53	L	-	C	TYR	V	46
R	-	CB	ALA	A	53	L	-	O	TYR	V	46
R	-	CB	ALA	A	53	L	-	N	SER	V	47
R	-	CB	ALA	A	53	L	-	CA	SER	V	47
R	-	CB	ALA	A	53	L	-	CB	SER	V	47
R	-	CB	ALA	A	53	L	-	HA	SER	V	47
R	-	CB	ALA	A	53	L	-	HB2	SER	V	47
R	-	CB	ALA	A	53	L	-	HB3	SER	V	47
R	-	CB	ALA	A	53	L	-	H	ALA	V	48
R	-	O	ALA	A	53	L	-	HB3	SER	V	47
R	-	CA	THR	A	60	L	S	HB2	CYS	V	44
R	-	CA	THR	A	60	L	-	OH	TYR	V	60
R	-	CA	THR	A	60	L	-	HE2	TYR	V	60
R	-	CA	THR	A	60	L	-	HH	TYR	V	60
R	-	C	THR	A	60	L	H	CE1	HIS	V	34
R	-	C	THR	A	60	L	H	HE1	HIS	V	34
R	-	C	THR	A	60	L	S	HB2	CYS	V	44
R	-	C	THR	A	60	L	-	OH	TYR	V	60
R	-	C	THR	A	60	L	-	CZ	TYR	V	60
R	-	C	THR	A	60	L	-	HH	TYR	V	60
R	-	CB	THR	A	60	L	S	O	CYS	V	44
R	-	CB	THR	A	60	L	S	HB2	CYS	V	44
R	-	CB	THR	A	60	L	S	HB3	CYS	V	44
R	-	CB	THR	A	60	L	-	HE2	TYR	V	46
R	-	CB	THR	A	60	L	-	CE2	TYR	V	60
R	-	CB	THR	A	60	L	-	OH	TYR	V	60
R	-	CB	THR	A	60	L	-	CZ	TYR	V	60
R	-	CB	THR	A	60	L	-	HE2	TYR	V	60
R	-	CB	THR	A	60	L	-	HH	TYR	V	60
R	-	O	THR	A	60	L	H	ND1	HIS	V	34
R	-	O	THR	A	60	L	H	CE1	HIS	V	34
R	-	O	THR	A	60	L	H	NE2	HIS	V	34
R	-	O	THR	A	60	L	H	HE1	HIS	V	34
R	-	O	THR	A	60	L	H	HE2	HIS	V	34
R	-	O	THR	A	60	L	S	HB2	CYS	V	44
R	-	O	THR	A	60	L	S	HG	CYS	V	44
R	-	O	THR	A	60	L	-	CE1	TYR	V	60
R	-	O	THR	A	60	L	-	CE2	TYR	V	60
R	-	O	THR	A	60	L	-	OH	TYR	V	60
R	-	O	THR	A	60	L	-	CZ	TYR	V	60
R	-	O	THR	A	60	L	-	HE1	TYR	V	60
R	-	O	THR	A	60	L	-	HE2	TYR	V	60
R	-	O	THR	A	60	L	-	HH	TYR	V	60
R	-	CG2	THR	A	60	L	-	CD2	TYR	V	46
R	-	CG2	THR	A	60	L	-	CE2	TYR	V	46
R	-	CG2	THR	A	60	L	-	HD2	TYR	V	46
R	-	CG2	THR	A	60	L	-	HE2	TYR	V	46
R	-	CG2	THR	A	60	L	-	CE2	TYR	V	60
R	-	CG2	THR	A	60	L	-	OH	TYR	V	60
R	-	CG2	THR	A	60	L	-	CZ	TYR	V	60
R	-	CG2	THR	A	60	L	-	HE2	TYR	V	60
R	-	CG2	THR	A	60	L	-	HH	TYR	V	60
R	-	OG1	THR	A	60	L	S	C	CYS	V	44
R	-	OG1	THR	A	60	L	S	CB	CYS	V	44
R	-	OG1	THR	A	60	L	S	O	CYS	V	44
R	-	OG1	THR	A	60	L	S	HB2	CYS	V	44
R	-	OG1	THR	A	60	L	S	HB3	CYS	V	44
R	-	OG1	THR	A	60	L	S	HA	LEU	V	45
R	-	OG1	THR	A	60	L	-	HD2	TYR	V	46
R	-	OG1	THR	A	60	L	-	HE2	TYR	V	46
R	-	OG1	THR	A	60	L	-	CE2	TYR	V	60
R	-	OG1	THR	A	60	L	-	OH	TYR	V	60
R	-	OG1	THR	A	60	L	-	HE2	TYR	V	60
R	-	OG1	THR	A	60	L	-	HH	TYR	V	60
R	-	N	ARG	A	61	L	H	HE1	HIS	V	34
R	-	N	ARG	A	61	L	S	H	CYS	V	44
R	-	N	ARG	A	61	L	S	HB2	CYS	V	44
R	-	N	ARG	A	61	L	-	OH	TYR	V	60
R	-	N	ARG	A	61	L	-	HH	TYR	V	60
R	-	CA	ARG	A	61	L	H	CE1	HIS	V	34
R	-	CA	ARG	A	61	L	H	HE1	HIS	V	34
R	-	CA	ARG	A	61	L	H	CG2	VAL	V	38
R	-	CA	ARG	A	61	L	H	HG22	VAL	V	38
R	-	CA	ARG	A	61	L	H	HG23	VAL	V	38
R	-	CA	ARG	A	61	L	S	H	CYS	V	44
R	-	CA	ARG	A	61	L	S	HB2	CYS	V	44
R	-	CA	ARG	A	61	L	-	HH	TYR	V	60
R	-	C	ARG	A	61	L	H	CE1	HIS	V	34
R	-	C	ARG	A	61	L	H	NE2	HIS	V	34
R	-	C	ARG	A	61	L	H	HE1	HIS	V	34
R	-	C	ARG	A	61	L	H	HE2	HIS	V	34
R	-	C	ARG	A	61	L	H	CG2	VAL	V	38
R	-	C	ARG	A	61	L	H	HG22	VAL	V	38
R	-	C	ARG	A	61	L	H	HG23	VAL	V	38
R	-	CB	ARG	A	61	L	H	HG22	VAL	V	38
R	-	CB	ARG	A	61	L	H	HG23	VAL	V	38
R	-	CB	ARG	A	61	L	S	HA	GLN	V	43
R	-	CB	ARG	A	61	L	S	H	CYS	V	44
R	-	O	ARG	A	61	L	H	HE1	HIS	V	34
R	-	CG	ARG	A	61	L	H	CG1	VAL	V	38
R	-	CG	ARG	A	61	L	H	CG2	VAL	V	38
R	-	CG	ARG	A	61	L	H	HA	VAL	V	38
R	-	CG	ARG	A	61	L	H	HG12	VAL	V	38
R	-	CG	ARG	A	61	L	H	HG13	VAL	V	38
R	-	CG	ARG	A	61	L	H	HG21	VAL	V	38
R	-	CG	ARG	A	61	L	H	HG22	VAL	V	38
R	-	CG	ARG	A	61	L	H	HG23	VAL	V	38
R	-	CG	ARG	A	61	L	-	O	GLY	V	42
R	-	CG	ARG	A	61	L	S	HA	GLN	V	43
R	-	CG	ARG	A	61	L	S	H	CYS	V	44
R	-	CD	ARG	A	61	L	H	HG12	VAL	V	38
R	-	CD	ARG	A	61	L	H	HG23	VAL	V	38
R	-	CD	ARG	A	61	L	-	O	GLY	V	42
R	-	CD	ARG	A	61	L	S	HA	GLN	V	43
R	-	CD	ARG	A	61	L	S	HB3	GLN	V	43
R	-	NE	ARG	A	61	L	H	HA	VAL	V	38
R	-	NE	ARG	A	61	L	H	HG12	VAL	V	38
R	-	NE	ARG	A	61	L	H	HG23	VAL	V	38
R	-	NE	ARG	A	61	L	-	C	GLY	V	42
R	-	NE	ARG	A	61	L	-	O	GLY	V	42
R	-	NE	ARG	A	61	L	S	N	GLN	V	43
R	-	NE	ARG	A	61	L	S	CA	GLN	V	43
R	-	NE	ARG	A	61	L	S	HA	GLN	V	43
R	-	NE	ARG	A	61	L	S	HB3	GLN	V	43
R	-	NH2	ARG	A	61	L	H	HA	VAL	V	38
R	-	NH2	ARG	A	61	L	-	CA	GLY	V	41
R	-	NH2	ARG	A	61	L	-	C	GLY	V	41
R	-	NH2	ARG	A	61	L	-	O	GLY	V	41
R	-	NH2	ARG	A	61	L	-	HA2	GLY	V	41
R	-	NH2	ARG	A	61	L	-	HA3	GLY	V	41
R	-	NH2	ARG	A	61	L	-	N	GLY	V	42
R	-	NH2	ARG	A	61	L	-	CA	GLY	V	42
R	-	NH2	ARG	A	61	L	-	C	GLY	V	42
R	-	NH2	ARG	A	61	L	-	O	GLY	V	42
R	-	NH2	ARG	A	61	L	-	H	GLY	V	42
R	-	CZ	ARG	A	61	L	H	HG12	VAL	V	38
R	-	CZ	ARG	A	61	L	-	C	GLY	V	41
R	-	CZ	ARG	A	61	L	-	O	GLY	V	41
R	-	CZ	ARG	A	61	L	-	HA2	GLY	V	41
R	-	CZ	ARG	A	61	L	-	C	GLY	V	42
R	-	CZ	ARG	A	61	L	-	O	GLY	V	42
R	-	CZ	ARG	A	61	L	S	HB3	GLN	V	43
R	-	N	GLY	A	62	L	H	CD2	HIS	V	34
R	-	N	GLY	A	62	L	H	ND1	HIS	V	34
R	-	N	GLY	A	62	L	H	CE1	HIS	V	34
R	-	N	GLY	A	62	L	H	NE2	HIS	V	34
R	-	N	GLY	A	62	L	H	HE1	HIS	V	34
R	-	N	GLY	A	62	L	H	HE2	HIS	V	34
R	-	N	GLY	A	62	L	H	CG2	VAL	V	38
R	-	N	GLY	A	62	L	H	HG13	VAL	V	38
R	-	N	GLY	A	62	L	H	HG21	VAL	V	38
R	-	N	GLY	A	62	L	H	HG22	VAL	V	38
R	-	N	GLY	A	62	L	H	HG23	VAL	V	38
R	-	CA	GLY	A	62	L	H	CD2	HIS	V	34
R	-	CA	GLY	A	62	L	H	CE1	HIS	V	34
R	-	CA	GLY	A	62	L	H	NE2	HIS	V	34
R	-	CA	GLY	A	62	L	H	HE1	HIS	V	34
R	-	CA	GLY	A	62	L	H	HE2	HIS	V	34
R	-	CA	GLY	A	62	L	H	HG13	VAL	V	38
R	-	CA	GLY	A	62	L	H	HG22	VAL	V	38
R	-	C	GLY	A	62	L	H	CD2	HIS	V	34
R	-	C	GLY	A	62	L	H	CE1	HIS	V	34
R	-	C	GLY	A	62	L	H	NE2	HIS	V	34
R	-	C	GLY	A	62	L	H	HD2	HIS	V	34
R	-	C	GLY	A	62	L	H	HE1	HIS	V	34
R	-	C	GLY	A	62	L	H	HE2	HIS	V	34
R	-	O	GLY	A	62	L	H	NE2	HIS	V	34
R	-	O	GLY	A	62	L	H	HE2	HIS	V	34
R	S	N	MET	A	63	L	H	CG	HIS	V	34
R	S	N	MET	A	63	L	H	CD2	HIS	V	34
R	S	N	MET	A	63	L	H	ND1	HIS	V	34
R	S	N	MET	A	63	L	H	CE1	HIS	V	34
R	S	N	MET	A	63	L	H	NE2	HIS	V	34
R	S	N	MET	A	63	L	H	HD2	HIS	V	34
R	S	N	MET	A	63	L	H	HE1	HIS	V	34
R	S	N	MET	A	63	L	H	HE2	HIS	V	34
R	S	N	MET	A	63	L	-	OH	TYR	V	60
R	S	N	MET	A	63	L	-	HE1	TYR	V	60
R	S	N	MET	A	63	L	-	HH	TYR	V	60
R	S	CA	MET	A	63	L	H	CD2	HIS	V	34
R	S	CA	MET	A	63	L	H	CE1	HIS	V	34
R	S	CA	MET	A	63	L	H	NE2	HIS	V	34
R	S	CA	MET	A	63	L	H	HE1	HIS	V	34
R	S	CA	MET	A	63	L	H	HE2	HIS	V	34
R	S	CA	MET	A	63	L	-	CE1	TYR	V	60
R	S	CA	MET	A	63	L	-	OH	TYR	V	60
R	S	CA	MET	A	63	L	-	HE1	TYR	V	60
R	S	C	MET	A	63	L	H	CG	HIS	V	34
R	S	C	MET	A	63	L	H	CD2	HIS	V	34
R	S	C	MET	A	63	L	H	ND1	HIS	V	34
R	S	C	MET	A	63	L	H	CE1	HIS	V	34
R	S	C	MET	A	63	L	H	NE2	HIS	V	34
R	S	C	MET	A	63	L	H	HD2	HIS	V	34
R	S	C	MET	A	63	L	H	HE2	HIS	V	34
R	S	C	MET	A	63	L	-	CD1	TYR	V	60
R	S	C	MET	A	63	L	-	CE1	TYR	V	60
R	S	C	MET	A	63	L	-	OH	TYR	V	60
R	S	C	MET	A	63	L	-	CZ	TYR	V	60
R	S	C	MET	A	63	L	-	HD1	TYR	V	60
R	S	C	MET	A	63	L	-	HE1	TYR	V	60
R	S	CB	MET	A	63	L	-	CE1	TYR	V	60
R	S	CB	MET	A	63	L	-	OH	TYR	V	60
R	S	CB	MET	A	63	L	-	CZ	TYR	V	60
R	S	CB	MET	A	63	L	-	HE1	TYR	V	60
R	S	CB	MET	A	63	L	-	HH	TYR	V	60
R	S	O	MET	A	63	L	H	CB	HIS	V	34
R	S	O	MET	A	63	L	H	CG	HIS	V	34
R	S	O	MET	A	63	L	H	CD2	HIS	V	34
R	S	O	MET	A	63	L	H	ND1	HIS	V	34
R	S	O	MET	A	63	L	H	CE1	HIS	V	34
R	S	O	MET	A	63	L	H	NE2	HIS	V	34
R	S	O	MET	A	63	L	H	HB2	HIS	V	34
R	S	O	MET	A	63	L	H	HB3	HIS	V	34
R	S	O	MET	A	63	L	H	HD2	HIS	V	34
R	S	O	MET	A	63	L	H	HE1	HIS	V	34
R	S	O	MET	A	63	L	H	HE2	HIS	V	34
R	S	O	MET	A	63	L	-	CD1	TYR	V	60
R	S	O	MET	A	63	L	-	CE1	TYR	V	60
R	S	O	MET	A	63	L	-	OH	TYR	V	60
R	S	O	MET	A	63	L	-	CZ	TYR	V	60
R	S	O	MET	A	63	L	-	HD1	TYR	V	60
R	S	O	MET	A	63	L	-	HE1	TYR	V	60
R	S	O	MET	A	63	L	-	HH	TYR	V	60
R	S	N	VAL	A	64	L	H	CD2	HIS	V	34
R	S	N	VAL	A	64	L	H	HD2	HIS	V	34
R	S	N	VAL	A	64	L	-	CE1	TYR	V	60
R	S	N	VAL	A	64	L	-	HD1	TYR	V	60
R	S	N	VAL	A	64	L	-	HE1	TYR	V	60
R	S	CA	VAL	A	64	L	-	CD1	TYR	V	60
R	S	CA	VAL	A	64	L	-	CE1	TYR	V	60
R	S	CA	VAL	A	64	L	-	HD1	TYR	V	60
R	S	CA	VAL	A	64	L	-	HE1	TYR	V	60
R	S	C	VAL	A	64	L	-	CD1	TYR	V	60
R	S	C	VAL	A	64	L	-	HD1	TYR	V	60
R	S	C	VAL	A	64	L	-	HE1	TYR	V	60
R	S	CB	VAL	A	64	L	-	HG	SER	V	32
R	S	CG1	VAL	A	64	L	-	HB2	SER	V	32
R	S	CG1	VAL	A	64	L	-	HB3	SER	V	32
R	S	CG1	VAL	A	64	L	-	HG	SER	V	32
R	S	CG2	VAL	A	64	L	-	CB	SER	V	32
R	S	CG2	VAL	A	64	L	-	OG	SER	V	32
R	S	CG2	VAL	A	64	L	-	HB2	SER	V	32
R	S	CG2	VAL	A	64	L	-	HB3	SER	V	32
R	S	CG2	VAL	A	64	L	-	HG	SER	V	32
R	S	CG2	VAL	A	64	L	H	CB	HIS	V	34
R	S	CG2	VAL	A	64	L	H	CD2	HIS	V	34
R	S	CG2	VAL	A	64	L	H	HB3	HIS	V	34
R	S	CG2	VAL	A	64	L	H	HD2	HIS	V	34
R	S	N	CYS	A	65	L	-	CD1	TYR	V	60
R	S	N	CYS	A	65	L	-	CE1	TYR	V	60
R	S	N	CYS	A	65	L	-	HB2	TYR	V	60
R	S	N	CYS	A	65	L	-	HD1	TYR	V	60
R	S	N	CYS	A	65	L	-	HE1	TYR	V	60
R	S	CA	CYS	A	65	L	-	HB2	TYR	V	60
R	S	CA	CYS	A	65	L	-	HD1	TYR	V	60
R	S	CB	CYS	A	65	L	-	CD1	TYR	V	60
R	S	CB	CYS	A	65	L	-	HB2	TYR	V	60
R	S	CB	CYS	A	65	L	-	HD1	TYR	V	60
R	S	O	CYS	A	65	L	-	HA	TYR	V	60
R	S	O	CYS	A	65	L	-	HB2	TYR	V	60
R	S	O	CYS	A	65	L	-	HG3	ARG	V	61
R	S	O	CYS	A	65	L	-	HD2	ARG	V	61
R	S	SG	CYS	A	65	L	-	OH	TYR	V	46
R	S	SG	CYS	A	65	L	-	HH	TYR	V	46
R	S	SG	CYS	A	65	L	-	CD1	TYR	V	60
R	S	SG	CYS	A	65	L	-	CE1	TYR	V	60
R	S	SG	CYS	A	65	L	-	HD1	TYR	V	60
R	S	OG	SER	A	66	L	-	NH2	ARG	V	61
R	S	OG	SER	A	66	L	-	CZ	ARG	V	61
R	S	OG	SER	A	66	L	-	HH21	ARG	V	61
R	S	OG	SER	A	66	L	-	HH22	ARG	V	61
R	S	N	CYS	A	67	L	-	HZ1	LYS	V	63
R	S	N	CYS	A	67	L	-	HZ2	LYS	V	63
R	S	CB	CYS	A	67	L	-	HZ1	LYS	V	63
R	S	SG	CYS	A	67	L	-	CE	LYS	V	63
R	S	SG	CYS	A	67	L	-	NZ	LYS	V	63
R	S	SG	CYS	A	67	L	-	HE2	LYS	V	63
R	S	SG	CYS	A	67	L	-	HE3	LYS	V	63
R	S	SG	CYS	A	67	L	-	HZ1	LYS	V	63
R	S	SG	CYS	A	67	L	-	HZ2	LYS	V	63
R	S	SG	CYS	A	67	L	-	HZ3	LYS	V	63
R	S	CB	CYS	A	82	L	-	HZ1	LYS	V	63
R	S	CB	CYS	A	82	L	-	HZ3	LYS	V	63
R	S	SG	CYS	A	82	L	-	NZ	LYS	V	63
R	S	SG	CYS	A	82	L	-	HZ1	LYS	V	63
R	S	SG	CYS	A	82	L	-	HZ2	LYS	V	63
R	S	SG	CYS	A	82	L	-	HZ3	LYS	V	63
R	S	CG	TYR	A	91	L	-	HZ2	LYS	V	63
R	S	CG	TYR	A	91	L	-	HZ3	LYS	V	63
R	S	CD2	TYR	A	91	L	-	NZ	LYS	V	63
R	S	CD2	TYR	A	91	L	-	HZ1	LYS	V	63
R	S	CD2	TYR	A	91	L	-	HZ2	LYS	V	63
R	S	CD2	TYR	A	91	L	-	HZ3	LYS	V	63
R	S	CE1	TYR	A	91	L	-	OH	TYR	V	46
R	S	CE1	TYR	A	91	L	-	HH	TYR	V	46
R	S	CE2	TYR	A	91	L	-	HH	TYR	V	46
R	S	CE2	TYR	A	91	L	-	CD	LYS	V	63
R	S	CE2	TYR	A	91	L	-	CE	LYS	V	63
R	S	CE2	TYR	A	91	L	-	NZ	LYS	V	63
R	S	CE2	TYR	A	91	L	-	HD2	LYS	V	63
R	S	CE2	TYR	A	91	L	-	HD3	LYS	V	63
R	S	CE2	TYR	A	91	L	-	HZ1	LYS	V	63
R	S	CE2	TYR	A	91	L	-	HZ2	LYS	V	63
R	S	CE2	TYR	A	91	L	-	HZ3	LYS	V	63
R	S	OH	TYR	A	91	L	-	CE1	TYR	V	46
R	S	OH	TYR	A	91	L	-	OH	TYR	V	46
R	S	OH	TYR	A	91	L	-	CZ	TYR	V	46
R	S	OH	TYR	A	91	L	-	HE1	TYR	V	46
R	S	OH	TYR	A	91	L	-	HH	TYR	V	46
R	S	OH	TYR	A	91	L	-	HB2	TYR	V	60
R	S	OH	TYR	A	91	L	-	CD	LYS	V	63
R	S	OH	TYR	A	91	L	-	HD2	LYS	V	63
R	S	OH	TYR	A	91	L	-	HD3	LYS	V	63
R	S	OH	TYR	A	91	L	-	HZ2	LYS	V	63
R	S	CZ	TYR	A	91	L	-	OH	TYR	V	46
R	S	CZ	TYR	A	91	L	-	HH	TYR	V	46
R	S	CZ	TYR	A	91	L	-	HD2	LYS	V	63
R	S	CZ	TYR	A	91	L	-	HD3	LYS	V	63
R	S	CZ	TYR	A	91	L	-	HZ2	LYS	V	63
R	S	CZ	TYR	A	91	L	-	HZ3	LYS	V	63
R	-	CB	VAL	A	96	L	H	HD2	HIS	V	34
R	-	O	VAL	A	96	L	H	HE2	HIS	V	34
R	-	CG1	VAL	A	96	L	H	HD2	TYR	V	35
R	-	CG2	VAL	A	96	L	H	HD2	HIS	V	34

- 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