IID

A1L453_Q9H239.5 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	140	L	-	ALA	V	80
R	-	VAL	A	140	L	-	GLY	V	81
R	-	VAL	A	140	L	S	LEU	V	82
R	-	ASN	A	141	L	-	ALA	V	80
R	-	PRO	A	178	L	-	ARG	V	121
R	S	ARG	A	182	L	-	ARG	V	121
R	S	ARG	A	182	L	S	LEU	V	82
R	S	THR	A	184	L	-	ALA	V	80
R	S	THR	A	184	L	S	LEU	V	82
R	S	PHE	A	185	L	S	TYR	V	79
R	S	PHE	A	185	L	-	ALA	V	80
R	S	PHE	A	186	L	S	TYR	V	79
R	S	PHE	A	186	L	-	ALA	V	80
R	S	PHE	A	186	L	S	LEU	V	82
R	S	PHE	A	186	L	S	VAL	V	84
R	-	GLN	A	187	L	-	HIS	V	103
R	-	GLN	A	187	L	-	ASP	V	105
R	-	GLN	A	187	L	-	LYS	V	106
R	-	GLN	A	187	L	-	ASN	V	107
R	-	GLN	A	187	L	S	TYR	V	79
R	-	GLY	A	188	L	-	HIS	V	103
R	-	GLY	A	188	L	-	LYS	V	106
R	-	ASP	A	189	L	H	HIS	V	100
R	-	ASP	A	189	L	H	CYS	V	101
R	-	ASP	A	189	L	-	HIS	V	103
R	-	ASP	A	189	L	-	LYS	V	106
R	-	HIS	A	190	L	-	LYS	V	106
R	-	HIS	A	190	L	S	VAL	V	84
R	-	ASN	A	191	L	H	HIS	V	100
R	-	ASN	A	191	L	H	CYS	V	101
R	-	ASN	A	191	L	-	LYS	V	106
R	-	ASN	A	191	L	-	GLU	V	242
R	-	ASN	A	191	L	-	GLY	V	243
R	-	ASN	A	191	L	-	SER	V	245
R	-	ASN	A	191	L	S	VAL	V	84
R	-	ASN	A	191	L	S	CYS	V	85
R	-	ASP	A	192	L	-	GLU	V	242
R	-	GLY	A	193	L	-	GLU	V	242
R	H	LEU	A	194	L	-	ILE	V	147
R	H	LEU	A	194	L	S	TRP	V	265
R	H	ASN	A	196	L	-	GLU	V	242
R	-	ARG	A	213	L	-	LEU	V	190
R	-	ASP	A	221	L	-	ASP	V	105
R	-	GLN	A	49	L	-	ARG	V	267
R	-	GLN	A	49	L	-	ASN	V	271
R	-	GLN	A	49	L	-	TYR	V	274
R	-	PRO	A	51	L	H	TYR	V	218
R	-	PRO	A	51	L	-	GLY	V	219
R	-	PRO	A	51	L	-	TYR	V	223
R	-	PRO	A	51	L	-	ARG	V	267
R	-	LEU	A	519	L	H	ILE	V	108
R	-	PHE	A	520	L	H	PHE	V	102
R	-	PHE	A	520	L	-	HIS	V	103
R	-	PHE	A	520	L	-	ARG	V	104
R	-	PHE	A	520	L	-	LYS	V	106
R	-	PHE	A	520	L	H	ILE	V	108
R	-	PHE	A	520	L	S	ARG	V	134
R	-	PHE	A	520	L	S	VAL	V	135
R	-	PHE	A	520	L	S	ILE	V	136
R	-	PHE	A	520	L	S	LEU	V	137

- 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

A1L453_Q9H239.5 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	-	CA	GLN	A	49	L	-	NH1	ARG	V	267
R	-	CA	GLN	A	49	L	-	HD3	ARG	V	267
R	-	CA	GLN	A	49	L	-	HH11	ARG	V	267
R	-	C	GLN	A	49	L	-	NH1	ARG	V	267
R	-	C	GLN	A	49	L	-	HH11	ARG	V	267
R	-	C	GLN	A	49	L	-	HH12	ARG	V	267
R	-	CB	GLN	A	49	L	-	HD3	ARG	V	267
R	-	CB	GLN	A	49	L	-	HH11	ARG	V	267
R	-	O	GLN	A	49	L	-	NH1	ARG	V	267
R	-	O	GLN	A	49	L	-	HH11	ARG	V	267
R	-	O	GLN	A	49	L	-	HH12	ARG	V	267
R	-	O	GLN	A	49	L	-	OH	TYR	V	274
R	-	CG	GLN	A	49	L	-	HB3	ARG	V	267
R	-	CG	GLN	A	49	L	-	HD3	ARG	V	267
R	-	CG	GLN	A	49	L	-	ND2	ASN	V	271
R	-	CG	GLN	A	49	L	-	HD22	ASN	V	271
R	-	CD	GLN	A	49	L	-	CG	ASN	V	271
R	-	CD	GLN	A	49	L	-	ND2	ASN	V	271
R	-	CD	GLN	A	49	L	-	OD1	ASN	V	271
R	-	CD	GLN	A	49	L	-	HD21	ASN	V	271
R	-	CD	GLN	A	49	L	-	HD22	ASN	V	271
R	-	NE2	GLN	A	49	L	-	O	ARG	V	267
R	-	NE2	GLN	A	49	L	-	HB3	ARG	V	267
R	-	NE2	GLN	A	49	L	-	CB	ASN	V	271
R	-	NE2	GLN	A	49	L	-	CG	ASN	V	271
R	-	NE2	GLN	A	49	L	-	ND2	ASN	V	271
R	-	NE2	GLN	A	49	L	-	OD1	ASN	V	271
R	-	NE2	GLN	A	49	L	-	HB2	ASN	V	271
R	-	NE2	GLN	A	49	L	-	HB3	ASN	V	271
R	-	NE2	GLN	A	49	L	-	HD21	ASN	V	271
R	-	NE2	GLN	A	49	L	-	HD22	ASN	V	271
R	-	OE1	GLN	A	49	L	-	CG	ASN	V	271
R	-	OE1	GLN	A	49	L	-	ND2	ASN	V	271
R	-	OE1	GLN	A	49	L	-	OD1	ASN	V	271
R	-	OE1	GLN	A	49	L	-	HD22	ASN	V	271
R	-	CB	PRO	A	51	L	-	HA3	GLY	V	219
R	-	CB	PRO	A	51	L	-	HE2	TYR	V	223
R	-	CB	PRO	A	51	L	-	HH22	ARG	V	267
R	-	O	PRO	A	51	L	-	HH	TYR	V	223
R	-	CG	PRO	A	51	L	H	O	TYR	V	218
R	-	CG	PRO	A	51	L	-	HA3	GLY	V	219
R	-	CG	PRO	A	51	L	-	HH12	ARG	V	267
R	-	CG	PRO	A	51	L	-	HH22	ARG	V	267
R	-	CD	PRO	A	51	L	-	HH12	ARG	V	267
R	-	CD	PRO	A	51	L	-	HH22	ARG	V	267
R	-	CB	VAL	A	140	L	-	O	ALA	V	80
R	-	CB	VAL	A	140	L	S	HG	LEU	V	82
R	-	CB	VAL	A	140	L	S	HD12	LEU	V	82
R	-	CG1	VAL	A	140	L	-	C	ALA	V	80
R	-	CG1	VAL	A	140	L	-	O	ALA	V	80
R	-	CG1	VAL	A	140	L	-	HB1	ALA	V	80
R	-	CG1	VAL	A	140	L	-	HA3	GLY	V	81
R	-	CG1	VAL	A	140	L	S	CG	LEU	V	82
R	-	CG1	VAL	A	140	L	S	HG	LEU	V	82
R	-	CG1	VAL	A	140	L	S	HD12	LEU	V	82
R	-	CG1	VAL	A	140	L	S	HD23	LEU	V	82
R	-	CG2	VAL	A	140	L	S	CG	LEU	V	82
R	-	CG2	VAL	A	140	L	S	CD1	LEU	V	82
R	-	CG2	VAL	A	140	L	S	CD2	LEU	V	82
R	-	CG2	VAL	A	140	L	S	HG	LEU	V	82
R	-	CG2	VAL	A	140	L	S	HD12	LEU	V	82
R	-	CG2	VAL	A	140	L	S	HD23	LEU	V	82
R	-	CB	ASN	A	141	L	-	CB	ALA	V	80
R	-	CB	ASN	A	141	L	-	HB1	ALA	V	80
R	-	CB	ASN	A	141	L	-	HB2	ALA	V	80
R	-	CG	ASN	A	141	L	-	CB	ALA	V	80
R	-	CG	ASN	A	141	L	-	HB1	ALA	V	80
R	-	CG	ASN	A	141	L	-	HB2	ALA	V	80
R	-	CG	ASN	A	141	L	-	HB3	ALA	V	80
R	-	ND2	ASN	A	141	L	-	CB	ALA	V	80
R	-	ND2	ASN	A	141	L	-	HB1	ALA	V	80
R	-	ND2	ASN	A	141	L	-	HB2	ALA	V	80
R	-	ND2	ASN	A	141	L	-	HB3	ALA	V	80
R	-	OD1	ASN	A	141	L	-	CB	ALA	V	80
R	-	OD1	ASN	A	141	L	-	HB1	ALA	V	80
R	-	OD1	ASN	A	141	L	-	HB3	ALA	V	80
R	-	N	PRO	A	178	L	-	HD3	ARG	V	121
R	-	CA	PRO	A	178	L	-	HD3	ARG	V	121
R	-	CB	PRO	A	178	L	-	CD	ARG	V	121
R	-	CB	PRO	A	178	L	-	NE	ARG	V	121
R	-	CB	PRO	A	178	L	-	NH1	ARG	V	121
R	-	CB	PRO	A	178	L	-	CZ	ARG	V	121
R	-	CB	PRO	A	178	L	-	HD3	ARG	V	121
R	-	CB	PRO	A	178	L	-	HH11	ARG	V	121
R	-	CB	PRO	A	178	L	-	HH12	ARG	V	121
R	-	CG	PRO	A	178	L	-	NH1	ARG	V	121
R	-	CG	PRO	A	178	L	-	HD3	ARG	V	121
R	-	CG	PRO	A	178	L	-	HH11	ARG	V	121
R	-	CD	PRO	A	178	L	-	HD3	ARG	V	121
R	S	CB	ARG	A	182	L	S	HD23	LEU	V	82
R	S	CG	ARG	A	182	L	S	HD23	LEU	V	82
R	S	CD	ARG	A	182	L	S	CD2	LEU	V	82
R	S	CD	ARG	A	182	L	S	HD22	LEU	V	82
R	S	CD	ARG	A	182	L	S	HD23	LEU	V	82
R	S	NE	ARG	A	182	L	S	HD22	LEU	V	82
R	S	NE	ARG	A	182	L	S	HD23	LEU	V	82
R	S	NH1	ARG	A	182	L	S	HD22	LEU	V	82
R	S	NH2	ARG	A	182	L	-	HE	ARG	V	121
R	S	CZ	ARG	A	182	L	S	HD22	LEU	V	82
R	S	CB	THR	A	184	L	S	CD1	LEU	V	82
R	S	CB	THR	A	184	L	S	HD11	LEU	V	82
R	S	CB	THR	A	184	L	S	HD12	LEU	V	82
R	S	CB	THR	A	184	L	S	HD13	LEU	V	82
R	S	CG2	THR	A	184	L	-	HB3	ALA	V	80
R	S	CG2	THR	A	184	L	S	CD1	LEU	V	82
R	S	CG2	THR	A	184	L	S	HG	LEU	V	82
R	S	CG2	THR	A	184	L	S	HD11	LEU	V	82
R	S	CG2	THR	A	184	L	S	HD12	LEU	V	82
R	S	OG1	THR	A	184	L	S	CG	LEU	V	82
R	S	OG1	THR	A	184	L	S	CD1	LEU	V	82
R	S	OG1	THR	A	184	L	S	HG	LEU	V	82
R	S	OG1	THR	A	184	L	S	HD11	LEU	V	82
R	S	OG1	THR	A	184	L	S	HD12	LEU	V	82
R	S	OG1	THR	A	184	L	S	HD13	LEU	V	82
R	S	OG1	THR	A	184	L	S	HD23	LEU	V	82
R	S	C	PHE	A	185	L	S	HE1	TYR	V	79
R	S	O	PHE	A	185	L	S	CE1	TYR	V	79
R	S	O	PHE	A	185	L	S	HE1	TYR	V	79
R	S	O	PHE	A	185	L	-	HB3	ALA	V	80
R	S	N	PHE	A	186	L	S	HE1	TYR	V	79
R	S	CA	PHE	A	186	L	S	CE1	TYR	V	79
R	S	CA	PHE	A	186	L	S	HE1	TYR	V	79
R	S	C	PHE	A	186	L	S	HE1	TYR	V	79
R	S	CB	PHE	A	186	L	S	HE1	TYR	V	79
R	S	CG	PHE	A	186	L	S	HD1	TYR	V	79
R	S	CG	PHE	A	186	L	S	HE1	TYR	V	79
R	S	CD1	PHE	A	186	L	S	CG	TYR	V	79
R	S	CD1	PHE	A	186	L	S	CD1	TYR	V	79
R	S	CD1	PHE	A	186	L	S	CE1	TYR	V	79
R	S	CD1	PHE	A	186	L	S	HB3	TYR	V	79
R	S	CD1	PHE	A	186	L	S	HD1	TYR	V	79
R	S	CD1	PHE	A	186	L	S	HE1	TYR	V	79
R	S	CD1	PHE	A	186	L	S	HG12	VAL	V	84
R	S	CE1	PHE	A	186	L	S	CB	TYR	V	79
R	S	CE1	PHE	A	186	L	S	O	TYR	V	79
R	S	CE1	PHE	A	186	L	S	CG	TYR	V	79
R	S	CE1	PHE	A	186	L	S	CD1	TYR	V	79
R	S	CE1	PHE	A	186	L	S	CE1	TYR	V	79
R	S	CE1	PHE	A	186	L	S	HB3	TYR	V	79
R	S	CE1	PHE	A	186	L	S	HD1	TYR	V	79
R	S	CE1	PHE	A	186	L	S	HE1	TYR	V	79
R	S	CE1	PHE	A	186	L	-	HB3	ALA	V	80
R	S	CE1	PHE	A	186	L	S	HB2	LEU	V	82
R	S	CE1	PHE	A	186	L	S	CG1	VAL	V	84
R	S	CE1	PHE	A	186	L	S	HG11	VAL	V	84
R	S	CE1	PHE	A	186	L	S	HG12	VAL	V	84
R	S	CE1	PHE	A	186	L	S	HG13	VAL	V	84
R	S	CE2	PHE	A	186	L	S	HD11	LEU	V	82
R	S	CZ	PHE	A	186	L	S	O	TYR	V	79
R	S	CZ	PHE	A	186	L	S	HB3	TYR	V	79
R	S	CZ	PHE	A	186	L	S	HD1	TYR	V	79
R	S	CZ	PHE	A	186	L	S	CD1	LEU	V	82
R	S	CZ	PHE	A	186	L	S	HB2	LEU	V	82
R	S	CZ	PHE	A	186	L	S	HD11	LEU	V	82
R	S	CZ	PHE	A	186	L	S	CG1	VAL	V	84
R	S	CZ	PHE	A	186	L	S	HG11	VAL	V	84
R	S	CZ	PHE	A	186	L	S	HG12	VAL	V	84
R	S	CZ	PHE	A	186	L	S	HG13	VAL	V	84
R	-	N	GLN	A	187	L	S	HE1	TYR	V	79
R	-	N	GLN	A	187	L	-	HG2	LYS	V	106
R	-	N	GLN	A	187	L	-	HE2	LYS	V	106
R	-	CA	GLN	A	187	L	-	HG2	LYS	V	106
R	-	CA	GLN	A	187	L	-	HG3	LYS	V	106
R	-	C	GLN	A	187	L	-	HD2	HIS	V	103
R	-	C	GLN	A	187	L	-	HG2	LYS	V	106
R	-	C	GLN	A	187	L	-	HG3	LYS	V	106
R	-	C	GLN	A	187	L	-	HE2	LYS	V	106
R	-	C	GLN	A	187	L	-	HE3	LYS	V	106
R	-	CB	GLN	A	187	L	-	C	ASP	V	105
R	-	CB	GLN	A	187	L	-	CB	ASP	V	105
R	-	CB	GLN	A	187	L	-	O	ASP	V	105
R	-	CB	GLN	A	187	L	-	HB2	ASP	V	105
R	-	CB	GLN	A	187	L	-	HB3	ASP	V	105
R	-	CB	GLN	A	187	L	-	CG	LYS	V	106
R	-	CB	GLN	A	187	L	-	HA	LYS	V	106
R	-	CB	GLN	A	187	L	-	HG2	LYS	V	106
R	-	CB	GLN	A	187	L	-	HG3	LYS	V	106
R	-	O	GLN	A	187	L	-	HB2	HIS	V	103
R	-	O	GLN	A	187	L	-	CG	LYS	V	106
R	-	O	GLN	A	187	L	-	CD	LYS	V	106
R	-	O	GLN	A	187	L	-	CE	LYS	V	106
R	-	O	GLN	A	187	L	-	HG2	LYS	V	106
R	-	O	GLN	A	187	L	-	HG3	LYS	V	106
R	-	O	GLN	A	187	L	-	HE2	LYS	V	106
R	-	O	GLN	A	187	L	-	HE3	LYS	V	106
R	-	CG	GLN	A	187	L	S	HH	TYR	V	79
R	-	CG	GLN	A	187	L	-	O	ASP	V	105
R	-	CG	GLN	A	187	L	-	HB3	ASP	V	105
R	-	CG	GLN	A	187	L	-	HA	LYS	V	106
R	-	CG	GLN	A	187	L	-	HG2	LYS	V	106
R	-	CD	GLN	A	187	L	S	HH	TYR	V	79
R	-	CD	GLN	A	187	L	-	C	ASP	V	105
R	-	CD	GLN	A	187	L	-	CB	ASP	V	105
R	-	CD	GLN	A	187	L	-	O	ASP	V	105
R	-	CD	GLN	A	187	L	-	HB2	ASP	V	105
R	-	CD	GLN	A	187	L	-	HB3	ASP	V	105
R	-	CD	GLN	A	187	L	-	N	LYS	V	106
R	-	CD	GLN	A	187	L	-	CA	LYS	V	106
R	-	CD	GLN	A	187	L	-	HA	LYS	V	106
R	-	NE2	GLN	A	187	L	-	C	ASP	V	105
R	-	NE2	GLN	A	187	L	-	O	ASP	V	105
R	-	NE2	GLN	A	187	L	-	HB3	ASP	V	105
R	-	OE1	GLN	A	187	L	S	OH	TYR	V	79
R	-	OE1	GLN	A	187	L	S	HH	TYR	V	79
R	-	OE1	GLN	A	187	L	-	CA	ASP	V	105
R	-	OE1	GLN	A	187	L	-	C	ASP	V	105
R	-	OE1	GLN	A	187	L	-	CB	ASP	V	105
R	-	OE1	GLN	A	187	L	-	O	ASP	V	105
R	-	OE1	GLN	A	187	L	-	HB2	ASP	V	105
R	-	OE1	GLN	A	187	L	-	HB3	ASP	V	105
R	-	OE1	GLN	A	187	L	-	N	LYS	V	106
R	-	OE1	GLN	A	187	L	-	CA	LYS	V	106
R	-	OE1	GLN	A	187	L	-	C	LYS	V	106
R	-	OE1	GLN	A	187	L	-	H	LYS	V	106
R	-	OE1	GLN	A	187	L	-	HA	LYS	V	106
R	-	OE1	GLN	A	187	L	-	HG2	LYS	V	106
R	-	OE1	GLN	A	187	L	-	N	ASN	V	107
R	-	OE1	GLN	A	187	L	-	H	ASN	V	107
R	-	N	GLY	A	188	L	-	CD2	HIS	V	103
R	-	N	GLY	A	188	L	-	HD2	HIS	V	103
R	-	CA	GLY	A	188	L	-	CG	HIS	V	103
R	-	CA	GLY	A	188	L	-	CD2	HIS	V	103
R	-	CA	GLY	A	188	L	-	NE2	HIS	V	103
R	-	CA	GLY	A	188	L	-	HD2	HIS	V	103
R	-	CA	GLY	A	188	L	-	HE2	HIS	V	103
R	-	C	GLY	A	188	L	-	HE3	LYS	V	106
R	-	N	ASP	A	189	L	-	CB	HIS	V	103
R	-	N	ASP	A	189	L	-	CG	HIS	V	103
R	-	N	ASP	A	189	L	-	ND1	HIS	V	103
R	-	N	ASP	A	189	L	-	HB3	HIS	V	103
R	-	N	ASP	A	189	L	-	HE3	LYS	V	106
R	-	CA	ASP	A	189	L	-	HB3	HIS	V	103
R	-	CA	ASP	A	189	L	-	HE3	LYS	V	106
R	-	CA	ASP	A	189	L	-	HZ2	LYS	V	106
R	-	C	ASP	A	189	L	-	HB3	HIS	V	103
R	-	C	ASP	A	189	L	-	CE	LYS	V	106
R	-	C	ASP	A	189	L	-	NZ	LYS	V	106
R	-	C	ASP	A	189	L	-	HE2	LYS	V	106
R	-	C	ASP	A	189	L	-	HE3	LYS	V	106
R	-	C	ASP	A	189	L	-	HZ1	LYS	V	106
R	-	C	ASP	A	189	L	-	HZ2	LYS	V	106
R	-	C	ASP	A	189	L	-	HZ3	LYS	V	106
R	-	CB	ASP	A	189	L	H	O	HIS	V	100
R	-	CB	ASP	A	189	L	H	HB2	HIS	V	100
R	-	CB	ASP	A	189	L	H	HD2	HIS	V	100
R	-	CB	ASP	A	189	L	-	HB3	HIS	V	103
R	-	O	ASP	A	189	L	H	O	HIS	V	100
R	-	O	ASP	A	189	L	H	O	CYS	V	101
R	-	O	ASP	A	189	L	-	CB	HIS	V	103
R	-	O	ASP	A	189	L	-	H	HIS	V	103
R	-	O	ASP	A	189	L	-	HB2	HIS	V	103
R	-	O	ASP	A	189	L	-	HB3	HIS	V	103
R	-	O	ASP	A	189	L	-	CD	LYS	V	106
R	-	O	ASP	A	189	L	-	CE	LYS	V	106
R	-	O	ASP	A	189	L	-	NZ	LYS	V	106
R	-	O	ASP	A	189	L	-	HD2	LYS	V	106
R	-	O	ASP	A	189	L	-	HE2	LYS	V	106
R	-	O	ASP	A	189	L	-	HE3	LYS	V	106
R	-	O	ASP	A	189	L	-	HZ1	LYS	V	106
R	-	O	ASP	A	189	L	-	HZ2	LYS	V	106
R	-	O	ASP	A	189	L	-	HZ3	LYS	V	106
R	-	CG	ASP	A	189	L	H	O	HIS	V	100
R	-	CG	ASP	A	189	L	H	CD2	HIS	V	100
R	-	CG	ASP	A	189	L	H	HB2	HIS	V	100
R	-	CG	ASP	A	189	L	H	HD2	HIS	V	100
R	-	OD1	ASP	A	189	L	H	HD2	HIS	V	100
R	-	OD2	ASP	A	189	L	H	CA	HIS	V	100
R	-	OD2	ASP	A	189	L	H	C	HIS	V	100
R	-	OD2	ASP	A	189	L	H	CB	HIS	V	100
R	-	OD2	ASP	A	189	L	H	O	HIS	V	100
R	-	OD2	ASP	A	189	L	H	CG	HIS	V	100
R	-	OD2	ASP	A	189	L	H	CD2	HIS	V	100
R	-	OD2	ASP	A	189	L	H	NE2	HIS	V	100
R	-	OD2	ASP	A	189	L	H	HB2	HIS	V	100
R	-	OD2	ASP	A	189	L	H	HD2	HIS	V	100
R	-	N	HIS	A	190	L	-	CE	LYS	V	106
R	-	N	HIS	A	190	L	-	NZ	LYS	V	106
R	-	N	HIS	A	190	L	-	HE3	LYS	V	106
R	-	N	HIS	A	190	L	-	HZ2	LYS	V	106
R	-	CA	HIS	A	190	L	-	CE	LYS	V	106
R	-	CA	HIS	A	190	L	-	NZ	LYS	V	106
R	-	CA	HIS	A	190	L	-	HE2	LYS	V	106
R	-	CA	HIS	A	190	L	-	HE3	LYS	V	106
R	-	CA	HIS	A	190	L	-	HZ1	LYS	V	106
R	-	CA	HIS	A	190	L	-	HZ2	LYS	V	106
R	-	CA	HIS	A	190	L	-	HZ3	LYS	V	106
R	-	C	HIS	A	190	L	S	HB	VAL	V	84
R	-	C	HIS	A	190	L	-	HZ2	LYS	V	106
R	-	CB	HIS	A	190	L	-	CE	LYS	V	106
R	-	CB	HIS	A	190	L	-	NZ	LYS	V	106
R	-	CB	HIS	A	190	L	-	HE2	LYS	V	106
R	-	CB	HIS	A	190	L	-	HZ2	LYS	V	106
R	-	CB	HIS	A	190	L	-	HZ3	LYS	V	106
R	-	O	HIS	A	190	L	S	CB	VAL	V	84
R	-	O	HIS	A	190	L	S	CG1	VAL	V	84
R	-	O	HIS	A	190	L	S	HA	VAL	V	84
R	-	O	HIS	A	190	L	S	HB	VAL	V	84
R	-	O	HIS	A	190	L	S	HG11	VAL	V	84
R	-	O	HIS	A	190	L	S	HG12	VAL	V	84
R	-	N	ASN	A	191	L	S	HB	VAL	V	84
R	-	N	ASN	A	191	L	-	HZ2	LYS	V	106
R	-	CA	ASN	A	191	L	S	O	VAL	V	84
R	-	CA	ASN	A	191	L	S	HB	VAL	V	84
R	-	CA	ASN	A	191	L	S	HG	CYS	V	85
R	-	C	ASN	A	191	L	S	O	VAL	V	84
R	-	C	ASN	A	191	L	-	H	GLY	V	243
R	-	CB	ASN	A	191	L	S	CA	VAL	V	84
R	-	CB	ASN	A	191	L	S	C	VAL	V	84
R	-	CB	ASN	A	191	L	S	CB	VAL	V	84
R	-	CB	ASN	A	191	L	S	O	VAL	V	84
R	-	CB	ASN	A	191	L	S	HA	VAL	V	84
R	-	CB	ASN	A	191	L	S	HB	VAL	V	84
R	-	CB	ASN	A	191	L	S	N	CYS	V	85
R	-	CB	ASN	A	191	L	S	SG	CYS	V	85
R	-	CB	ASN	A	191	L	S	HG	CYS	V	85
R	-	CB	ASN	A	191	L	-	HB2	SER	V	245
R	-	O	ASN	A	191	L	S	O	VAL	V	84
R	-	O	ASN	A	191	L	-	HB3	GLU	V	242
R	-	O	ASN	A	191	L	-	N	GLY	V	243
R	-	O	ASN	A	191	L	-	CA	GLY	V	243
R	-	O	ASN	A	191	L	-	H	GLY	V	243
R	-	O	ASN	A	191	L	-	HA2	GLY	V	243
R	-	CG	ASN	A	191	L	S	C	VAL	V	84
R	-	CG	ASN	A	191	L	S	CB	VAL	V	84
R	-	CG	ASN	A	191	L	S	O	VAL	V	84
R	-	CG	ASN	A	191	L	S	HB	VAL	V	84
R	-	CG	ASN	A	191	L	S	HG21	VAL	V	84
R	-	CG	ASN	A	191	L	S	N	CYS	V	85
R	-	CG	ASN	A	191	L	S	CB	CYS	V	85
R	-	CG	ASN	A	191	L	S	SG	CYS	V	85
R	-	CG	ASN	A	191	L	S	HA	CYS	V	85
R	-	CG	ASN	A	191	L	S	HB3	CYS	V	85
R	-	CG	ASN	A	191	L	S	HG	CYS	V	85
R	-	CG	ASN	A	191	L	H	CA	CYS	V	101
R	-	CG	ASN	A	191	L	H	SG	CYS	V	101
R	-	CG	ASN	A	191	L	H	HA	CYS	V	101
R	-	CG	ASN	A	191	L	H	HB3	CYS	V	101
R	-	CG	ASN	A	191	L	-	HB2	SER	V	245
R	-	ND2	ASN	A	191	L	S	CA	VAL	V	84
R	-	ND2	ASN	A	191	L	S	C	VAL	V	84
R	-	ND2	ASN	A	191	L	S	CB	VAL	V	84
R	-	ND2	ASN	A	191	L	S	O	VAL	V	84
R	-	ND2	ASN	A	191	L	S	CG2	VAL	V	84
R	-	ND2	ASN	A	191	L	S	HB	VAL	V	84
R	-	ND2	ASN	A	191	L	S	HG21	VAL	V	84
R	-	ND2	ASN	A	191	L	S	HG22	VAL	V	84
R	-	ND2	ASN	A	191	L	S	CB	CYS	V	85
R	-	ND2	ASN	A	191	L	S	SG	CYS	V	85
R	-	ND2	ASN	A	191	L	S	HB3	CYS	V	85
R	-	ND2	ASN	A	191	L	S	HG	CYS	V	85
R	-	ND2	ASN	A	191	L	H	CA	CYS	V	101
R	-	ND2	ASN	A	191	L	H	CB	CYS	V	101
R	-	ND2	ASN	A	191	L	H	O	CYS	V	101
R	-	ND2	ASN	A	191	L	H	HA	CYS	V	101
R	-	ND2	ASN	A	191	L	H	HB3	CYS	V	101
R	-	ND2	ASN	A	191	L	-	HZ1	LYS	V	106
R	-	ND2	ASN	A	191	L	-	HZ2	LYS	V	106
R	-	ND2	ASN	A	191	L	-	HZ3	LYS	V	106
R	-	OD1	ASN	A	191	L	S	C	VAL	V	84
R	-	OD1	ASN	A	191	L	S	O	VAL	V	84
R	-	OD1	ASN	A	191	L	S	CB	CYS	V	85
R	-	OD1	ASN	A	191	L	S	SG	CYS	V	85
R	-	OD1	ASN	A	191	L	S	HA	CYS	V	85
R	-	OD1	ASN	A	191	L	S	HB2	CYS	V	85
R	-	OD1	ASN	A	191	L	S	HB3	CYS	V	85
R	-	OD1	ASN	A	191	L	S	HG	CYS	V	85
R	-	OD1	ASN	A	191	L	H	CD2	HIS	V	100
R	-	OD1	ASN	A	191	L	H	NE2	HIS	V	100
R	-	OD1	ASN	A	191	L	H	HD2	HIS	V	100
R	-	OD1	ASN	A	191	L	H	HE2	HIS	V	100
R	-	OD1	ASN	A	191	L	H	CA	CYS	V	101
R	-	OD1	ASN	A	191	L	H	CB	CYS	V	101
R	-	OD1	ASN	A	191	L	H	SG	CYS	V	101
R	-	OD1	ASN	A	191	L	H	HA	CYS	V	101
R	-	OD1	ASN	A	191	L	H	HB3	CYS	V	101
R	-	OD1	ASN	A	191	L	H	HG	CYS	V	101
R	-	OD1	ASN	A	191	L	-	CB	SER	V	245
R	-	OD1	ASN	A	191	L	-	HB2	SER	V	245
R	-	OD1	ASN	A	191	L	-	HB3	SER	V	245
R	-	CA	ASP	A	192	L	-	OE2	GLU	V	242
R	-	CA	ASP	A	192	L	-	HB3	GLU	V	242
R	-	C	ASP	A	192	L	-	CG	GLU	V	242
R	-	C	ASP	A	192	L	-	CD	GLU	V	242
R	-	C	ASP	A	192	L	-	OE1	GLU	V	242
R	-	C	ASP	A	192	L	-	OE2	GLU	V	242
R	-	C	ASP	A	192	L	-	HB3	GLU	V	242
R	-	CB	ASP	A	192	L	-	OE2	GLU	V	242
R	-	O	ASP	A	192	L	-	CB	GLU	V	242
R	-	O	ASP	A	192	L	-	CG	GLU	V	242
R	-	O	ASP	A	192	L	-	CD	GLU	V	242
R	-	O	ASP	A	192	L	-	OE1	GLU	V	242
R	-	O	ASP	A	192	L	-	OE2	GLU	V	242
R	-	O	ASP	A	192	L	-	HB3	GLU	V	242
R	-	N	GLY	A	193	L	-	CD	GLU	V	242
R	-	N	GLY	A	193	L	-	OE1	GLU	V	242
R	-	N	GLY	A	193	L	-	OE2	GLU	V	242
R	-	N	GLY	A	193	L	-	HB3	GLU	V	242
R	-	N	GLY	A	193	L	-	HG2	GLU	V	242
R	-	CA	GLY	A	193	L	-	CG	GLU	V	242
R	-	CA	GLY	A	193	L	-	CD	GLU	V	242
R	-	CA	GLY	A	193	L	-	OE1	GLU	V	242
R	-	CA	GLY	A	193	L	-	OE2	GLU	V	242
R	-	CA	GLY	A	193	L	-	HG2	GLU	V	242
R	-	C	GLY	A	193	L	-	OE1	GLU	V	242
R	H	CB	LEU	A	194	L	-	HD12	ILE	V	147
R	H	CG	LEU	A	194	L	-	CD1	ILE	V	147
R	H	CG	LEU	A	194	L	-	HD11	ILE	V	147
R	H	CG	LEU	A	194	L	-	HD12	ILE	V	147
R	H	CD1	LEU	A	194	L	-	CG1	ILE	V	147
R	H	CD1	LEU	A	194	L	-	CD1	ILE	V	147
R	H	CD1	LEU	A	194	L	-	HG12	ILE	V	147
R	H	CD1	LEU	A	194	L	-	HG23	ILE	V	147
R	H	CD1	LEU	A	194	L	-	HD11	ILE	V	147
R	H	CD1	LEU	A	194	L	-	HD12	ILE	V	147
R	H	CD1	LEU	A	194	L	-	HD13	ILE	V	147
R	H	CD1	LEU	A	194	L	S	HB2	TRP	V	265
R	H	CD1	LEU	A	194	L	S	HB3	TRP	V	265
R	H	CD2	LEU	A	194	L	-	CD1	ILE	V	147
R	H	CD2	LEU	A	194	L	-	HG12	ILE	V	147
R	H	CD2	LEU	A	194	L	-	HD11	ILE	V	147
R	H	CD2	LEU	A	194	L	-	HD12	ILE	V	147
R	H	ND2	ASN	A	196	L	-	OE2	GLU	V	242
R	-	CD	ARG	A	213	L	-	HD23	LEU	V	190
R	-	NE	ARG	A	213	L	-	HD23	LEU	V	190
R	-	NH1	ARG	A	213	L	-	HD12	LEU	V	190
R	-	NH1	ARG	A	213	L	-	HD23	LEU	V	190
R	-	CZ	ARG	A	213	L	-	HD23	LEU	V	190
R	-	CG	ASP	A	221	L	-	HB3	ASP	V	105
R	-	OD1	ASP	A	221	L	-	HB3	ASP	V	105
R	-	OD2	ASP	A	221	L	-	CG	ASP	V	105
R	-	OD2	ASP	A	221	L	-	OD2	ASP	V	105
R	-	OD2	ASP	A	221	L	-	HB3	ASP	V	105
R	-	C	LEU	A	519	L	H	HD13	ILE	V	108
R	-	CB	LEU	A	519	L	H	HG13	ILE	V	108
R	-	CB	LEU	A	519	L	H	HD13	ILE	V	108
R	-	O	LEU	A	519	L	H	CG2	ILE	V	108
R	-	O	LEU	A	519	L	H	HG13	ILE	V	108
R	-	O	LEU	A	519	L	H	HG21	ILE	V	108
R	-	O	LEU	A	519	L	H	HG22	ILE	V	108
R	-	O	LEU	A	519	L	H	HD13	ILE	V	108
R	-	CA	PHE	A	520	L	S	O	VAL	V	135
R	-	C	PHE	A	520	L	S	O	VAL	V	135
R	-	CB	PHE	A	520	L	S	O	VAL	V	135
R	-	CG	PHE	A	520	L	S	O	VAL	V	135
R	-	CG	PHE	A	520	L	S	HB	VAL	V	135
R	-	CD1	PHE	A	520	L	H	HG21	ILE	V	108
R	-	CD1	PHE	A	520	L	H	HG23	ILE	V	108
R	-	CD1	PHE	A	520	L	S	CA	VAL	V	135
R	-	CD1	PHE	A	520	L	S	C	VAL	V	135
R	-	CD1	PHE	A	520	L	S	CB	VAL	V	135
R	-	CD1	PHE	A	520	L	S	O	VAL	V	135
R	-	CD1	PHE	A	520	L	S	CG1	VAL	V	135
R	-	CD1	PHE	A	520	L	S	CG2	VAL	V	135
R	-	CD1	PHE	A	520	L	S	H	VAL	V	135
R	-	CD1	PHE	A	520	L	S	HB	VAL	V	135
R	-	CD1	PHE	A	520	L	S	HG11	VAL	V	135
R	-	CD1	PHE	A	520	L	S	HG13	VAL	V	135
R	-	CD1	PHE	A	520	L	S	HG23	VAL	V	135
R	-	CD1	PHE	A	520	L	S	HG	LEU	V	137
R	-	CD2	PHE	A	520	L	-	HA	ARG	V	104
R	-	CE1	PHE	A	520	L	H	HB3	PHE	V	102
R	-	CE1	PHE	A	520	L	H	CG2	ILE	V	108
R	-	CE1	PHE	A	520	L	H	HG21	ILE	V	108
R	-	CE1	PHE	A	520	L	H	HG22	ILE	V	108
R	-	CE1	PHE	A	520	L	H	HG23	ILE	V	108
R	-	CE1	PHE	A	520	L	S	CB	VAL	V	135
R	-	CE1	PHE	A	520	L	S	CG1	VAL	V	135
R	-	CE1	PHE	A	520	L	S	CG2	VAL	V	135
R	-	CE1	PHE	A	520	L	S	HB	VAL	V	135
R	-	CE1	PHE	A	520	L	S	HG11	VAL	V	135
R	-	CE1	PHE	A	520	L	S	HG13	VAL	V	135
R	-	CE1	PHE	A	520	L	S	HG21	VAL	V	135
R	-	CE1	PHE	A	520	L	S	HG23	VAL	V	135
R	-	CE2	PHE	A	520	L	-	O	HIS	V	103
R	-	CE2	PHE	A	520	L	-	O	ARG	V	104
R	-	CE2	PHE	A	520	L	-	HA	ARG	V	104
R	-	CE2	PHE	A	520	L	-	O	LYS	V	106
R	-	CE2	PHE	A	520	L	H	HG22	ILE	V	108
R	-	CE2	PHE	A	520	L	H	HG23	ILE	V	108
R	-	CZ	PHE	A	520	L	H	O	PHE	V	102
R	-	CZ	PHE	A	520	L	H	HB3	PHE	V	102
R	-	CZ	PHE	A	520	L	H	CG2	ILE	V	108
R	-	CZ	PHE	A	520	L	H	HG21	ILE	V	108
R	-	CZ	PHE	A	520	L	H	HG22	ILE	V	108
R	-	CZ	PHE	A	520	L	H	HG23	ILE	V	108
R	-	CZ	PHE	A	520	L	S	HB	VAL	V	135
R	-	CZ	PHE	A	520	L	S	HG23	VAL	V	135
R	-	OXT	PHE	A	520	L	S	HB2	ARG	V	134
R	-	OXT	PHE	A	520	L	S	C	VAL	V	135
R	-	OXT	PHE	A	520	L	S	O	VAL	V	135
R	-	OXT	PHE	A	520	L	S	HA	ILE	V	136
R	-	OXT	PHE	A	520	L	S	HG12	ILE	V	136

- 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