IID

Q96A58_P60953.1 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	-	MET	A	1	L	H	GLU	V	62
R	-	MET	A	1	L	H	ASP	V	63
R	H	TYR	A	161	L	H	HIS	V	103
R	H	LEU	A	27	L	H	THR	V	102
R	H	THR	A	28	L	-	PRO	V	106
R	-	LYS	A	29	L	-	PRO	V	106
R	-	ARG	A	30	L	-	LYS	V	107
R	-	ARG	A	30	L	-	PRO	V	182
R	-	PHE	A	31	L	-	SER	V	185
R	-	ILE	A	32	L	-	LYS	V	150
R	-	TRP	A	33	L	-	SER	V	185
R	-	TRP	A	33	L	-	ARG	V	186
R	-	TRP	A	33	L	-	ARG	V	187
R	-	TRP	A	33	L	-	CYS	V	188
R	-	GLU	A	34	L	-	ARG	V	186
R	-	GLU	A	34	L	-	CYS	V	188
R	S	ARG	A	44	L	H	GLU	V	95
R	S	ARG	A	44	L	H	PRO	V	99
R	S	HIS	A	45	L	H	HIS	V	103
R	S	HIS	A	45	L	H	PRO	V	99
R	S	GLN	A	46	L	H	GLU	V	100
R	S	GLN	A	46	L	H	HIS	V	103
R	S	GLN	A	46	L	H	LYS	V	96
R	S	GLN	A	46	L	H	PRO	V	99
R	S	ALA	A	47	L	H	HIS	V	103
R	S	THR	A	48	L	H	HIS	V	103
R	S	THR	A	48	L	H	HIS	V	104
R	-	ASP	A	51	L	-	ARG	V	66
R	S	GLU	A	52	L	-	ARG	V	66
R	S	VAL	A	53	L	-	ASP	V	65
R	S	VAL	A	53	L	-	ARG	V	66

- 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

Q96A58_P60953.1 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	-	N	MET	A	1	L	H	OD1	ASP	V	63
R	-	CB	MET	A	1	L	H	OD1	ASP	V	63
R	-	CG	MET	A	1	L	H	OD1	ASP	V	63
R	-	CG	MET	A	1	L	H	HA	ASP	V	63
R	-	SD	MET	A	1	L	H	O	GLU	V	62
R	-	SD	MET	A	1	L	H	N	ASP	V	63
R	-	SD	MET	A	1	L	H	CA	ASP	V	63
R	-	SD	MET	A	1	L	H	OD1	ASP	V	63
R	-	SD	MET	A	1	L	H	HA	ASP	V	63
R	-	CE	MET	A	1	L	H	O	ASP	V	63
R	-	CE	MET	A	1	L	H	HA	ASP	V	63
R	H	O	LEU	A	27	L	H	CG2	THR	V	102
R	H	O	LEU	A	27	L	H	HG21	THR	V	102
R	H	O	LEU	A	27	L	H	HG23	THR	V	102
R	H	O	THR	A	28	L	-	HB2	PRO	V	106
R	-	CG	LYS	A	29	L	-	HG2	PRO	V	106
R	-	NE	ARG	A	30	L	-	HG3	LYS	V	107
R	-	NH1	ARG	A	30	L	-	HA	PRO	V	182
R	-	NH1	ARG	A	30	L	-	HB3	PRO	V	182
R	-	NH2	ARG	A	30	L	-	CG	LYS	V	107
R	-	NH2	ARG	A	30	L	-	HA	LYS	V	107
R	-	NH2	ARG	A	30	L	-	HG3	LYS	V	107
R	-	NH2	ARG	A	30	L	-	HE2	LYS	V	107
R	-	CZ	ARG	A	30	L	-	HG3	LYS	V	107
R	-	CZ	ARG	A	30	L	-	HB3	PRO	V	182
R	-	O	PHE	A	31	L	-	HB3	SER	V	185
R	-	CD1	ILE	A	32	L	-	HZ1	LYS	V	150
R	-	N	TRP	A	33	L	-	HB2	SER	V	185
R	-	CA	TRP	A	33	L	-	HB2	CYS	V	188
R	-	C	TRP	A	33	L	-	HB2	CYS	V	188
R	-	C	TRP	A	33	L	-	HG	CYS	V	188
R	-	CB	TRP	A	33	L	-	HB2	SER	V	185
R	-	CB	TRP	A	33	L	-	O	ARG	V	186
R	-	CB	TRP	A	33	L	-	HA	ARG	V	187
R	-	CB	TRP	A	33	L	-	N	CYS	V	188
R	-	CB	TRP	A	33	L	-	H	CYS	V	188
R	-	CB	TRP	A	33	L	-	HB2	CYS	V	188
R	-	O	TRP	A	33	L	-	SG	CYS	V	188
R	-	O	TRP	A	33	L	-	HB2	CYS	V	188
R	-	O	TRP	A	33	L	-	HG	CYS	V	188
R	-	CG	TRP	A	33	L	-	OG	SER	V	185
R	-	CG	TRP	A	33	L	-	HB2	SER	V	185
R	-	CG	TRP	A	33	L	-	HG	SER	V	185
R	-	CG	TRP	A	33	L	-	O	ARG	V	186
R	-	CG	TRP	A	33	L	-	HA	ARG	V	187
R	-	CG	TRP	A	33	L	-	N	CYS	V	188
R	-	CG	TRP	A	33	L	-	H	CYS	V	188
R	-	CG	TRP	A	33	L	-	HB2	CYS	V	188
R	-	CD1	TRP	A	33	L	-	CB	SER	V	185
R	-	CD1	TRP	A	33	L	-	OG	SER	V	185
R	-	CD1	TRP	A	33	L	-	HB2	SER	V	185
R	-	CD1	TRP	A	33	L	-	HB3	SER	V	185
R	-	CD1	TRP	A	33	L	-	HG	SER	V	185
R	-	CD1	TRP	A	33	L	-	O	ARG	V	186
R	-	CD1	TRP	A	33	L	-	HA	ARG	V	187
R	-	CD1	TRP	A	33	L	-	H	CYS	V	188
R	-	CD2	TRP	A	33	L	-	HA	ARG	V	187
R	-	CD2	TRP	A	33	L	-	H	CYS	V	188
R	-	CD2	TRP	A	33	L	-	HB2	CYS	V	188
R	-	CE2	TRP	A	33	L	-	HG	SER	V	185
R	-	CE2	TRP	A	33	L	-	HA	ARG	V	187
R	-	CE2	TRP	A	33	L	-	HG2	ARG	V	187
R	-	CE3	TRP	A	33	L	-	HA	ARG	V	187
R	-	CE3	TRP	A	33	L	-	H	CYS	V	188
R	-	CE3	TRP	A	33	L	-	HB2	CYS	V	188
R	-	NE1	TRP	A	33	L	-	CB	SER	V	185
R	-	NE1	TRP	A	33	L	-	OG	SER	V	185
R	-	NE1	TRP	A	33	L	-	HB2	SER	V	185
R	-	NE1	TRP	A	33	L	-	HG	SER	V	185
R	-	NE1	TRP	A	33	L	-	HA	ARG	V	187
R	-	NE1	TRP	A	33	L	-	HG2	ARG	V	187
R	-	CZ2	TRP	A	33	L	-	HG2	ARG	V	187
R	-	CA	GLU	A	34	L	-	HG	CYS	V	188
R	-	CG	GLU	A	34	L	-	HB3	ARG	V	186
R	-	CD	GLU	A	34	L	-	HB3	ARG	V	186
R	-	CD	GLU	A	34	L	-	HD2	ARG	V	186
R	-	OE1	GLU	A	34	L	-	CB	ARG	V	186
R	-	OE1	GLU	A	34	L	-	CG	ARG	V	186
R	-	OE1	GLU	A	34	L	-	CD	ARG	V	186
R	-	OE1	GLU	A	34	L	-	HB2	ARG	V	186
R	-	OE1	GLU	A	34	L	-	HB3	ARG	V	186
R	-	OE1	GLU	A	34	L	-	HG2	ARG	V	186
R	-	OE1	GLU	A	34	L	-	HD2	ARG	V	186
R	-	OE1	GLU	A	34	L	-	HD3	ARG	V	186
R	-	OE1	GLU	A	34	L	-	HH11	ARG	V	186
R	-	OE2	GLU	A	34	L	-	HB3	ARG	V	186
R	-	OE2	GLU	A	34	L	-	HD2	ARG	V	186
R	S	C	ARG	A	44	L	H	HB3	PRO	V	99
R	S	C	ARG	A	44	L	H	HG2	PRO	V	99
R	S	CB	ARG	A	44	L	H	O	GLU	V	95
R	S	CB	ARG	A	44	L	H	HA	GLU	V	95
R	S	O	ARG	A	44	L	H	CB	PRO	V	99
R	S	O	ARG	A	44	L	H	CG	PRO	V	99
R	S	O	ARG	A	44	L	H	HB3	PRO	V	99
R	S	O	ARG	A	44	L	H	HG2	PRO	V	99
R	S	O	ARG	A	44	L	H	HG3	PRO	V	99
R	S	CD	ARG	A	44	L	H	HA	GLU	V	95
R	S	CD	ARG	A	44	L	H	HB3	GLU	V	95
R	S	CD	ARG	A	44	L	H	HG3	GLU	V	95
R	S	NE	ARG	A	44	L	H	CA	GLU	V	95
R	S	NE	ARG	A	44	L	H	CB	GLU	V	95
R	S	NE	ARG	A	44	L	H	CG	GLU	V	95
R	S	NE	ARG	A	44	L	H	CD	GLU	V	95
R	S	NE	ARG	A	44	L	H	HA	GLU	V	95
R	S	NE	ARG	A	44	L	H	HB3	GLU	V	95
R	S	NE	ARG	A	44	L	H	HG3	GLU	V	95
R	S	NH1	ARG	A	44	L	H	CG	GLU	V	95
R	S	NH1	ARG	A	44	L	H	CD	GLU	V	95
R	S	NH1	ARG	A	44	L	H	OE1	GLU	V	95
R	S	NH1	ARG	A	44	L	H	OE2	GLU	V	95
R	S	NH1	ARG	A	44	L	H	HB3	GLU	V	95
R	S	NH1	ARG	A	44	L	H	HG3	GLU	V	95
R	S	NH2	ARG	A	44	L	H	CB	GLU	V	95
R	S	NH2	ARG	A	44	L	H	CG	GLU	V	95
R	S	NH2	ARG	A	44	L	H	CD	GLU	V	95
R	S	NH2	ARG	A	44	L	H	OE1	GLU	V	95
R	S	NH2	ARG	A	44	L	H	OE2	GLU	V	95
R	S	NH2	ARG	A	44	L	H	HB3	GLU	V	95
R	S	NH2	ARG	A	44	L	H	HG2	GLU	V	95
R	S	NH2	ARG	A	44	L	H	HG3	GLU	V	95
R	S	CZ	ARG	A	44	L	H	CB	GLU	V	95
R	S	CZ	ARG	A	44	L	H	CG	GLU	V	95
R	S	CZ	ARG	A	44	L	H	CD	GLU	V	95
R	S	CZ	ARG	A	44	L	H	OE1	GLU	V	95
R	S	CZ	ARG	A	44	L	H	OE2	GLU	V	95
R	S	CZ	ARG	A	44	L	H	HA	GLU	V	95
R	S	CZ	ARG	A	44	L	H	HB3	GLU	V	95
R	S	CZ	ARG	A	44	L	H	HG2	GLU	V	95
R	S	CZ	ARG	A	44	L	H	HG3	GLU	V	95
R	S	N	HIS	A	45	L	H	HB3	PRO	V	99
R	S	CA	HIS	A	45	L	H	HB3	PRO	V	99
R	S	C	HIS	A	45	L	H	HB3	PRO	V	99
R	S	ND1	HIS	A	45	L	H	HB3	PRO	V	99
R	S	ND1	HIS	A	45	L	H	HB2	HIS	V	103
R	S	CE1	HIS	A	45	L	H	CA	HIS	V	103
R	S	CE1	HIS	A	45	L	H	CB	HIS	V	103
R	S	CE1	HIS	A	45	L	H	CG	HIS	V	103
R	S	CE1	HIS	A	45	L	H	ND1	HIS	V	103
R	S	CE1	HIS	A	45	L	H	HA	HIS	V	103
R	S	CE1	HIS	A	45	L	H	HB2	HIS	V	103
R	S	NE2	HIS	A	45	L	H	CB	HIS	V	103
R	S	NE2	HIS	A	45	L	H	CG	HIS	V	103
R	S	NE2	HIS	A	45	L	H	ND1	HIS	V	103
R	S	NE2	HIS	A	45	L	H	CE1	HIS	V	103
R	S	NE2	HIS	A	45	L	H	HB2	HIS	V	103
R	S	N	GLN	A	46	L	H	HB2	PRO	V	99
R	S	N	GLN	A	46	L	H	HB3	PRO	V	99
R	S	C	GLN	A	46	L	H	HB2	HIS	V	103
R	S	CB	GLN	A	46	L	H	HA	GLU	V	100
R	S	O	GLN	A	46	L	H	HA	GLU	V	100
R	S	O	GLN	A	46	L	H	CB	HIS	V	103
R	S	O	GLN	A	46	L	H	CG	HIS	V	103
R	S	O	GLN	A	46	L	H	CD2	HIS	V	103
R	S	O	GLN	A	46	L	H	ND1	HIS	V	103
R	S	O	GLN	A	46	L	H	HB2	HIS	V	103
R	S	O	GLN	A	46	L	H	HB3	HIS	V	103
R	S	O	GLN	A	46	L	H	HD2	HIS	V	103
R	S	CD	GLN	A	46	L	H	HA	LYS	V	96
R	S	CD	GLN	A	46	L	H	HG2	LYS	V	96
R	S	NE2	GLN	A	46	L	H	HA	LYS	V	96
R	S	NE2	GLN	A	46	L	H	HG2	LYS	V	96
R	S	OE1	GLN	A	46	L	H	CG	LYS	V	96
R	S	OE1	GLN	A	46	L	H	HG2	LYS	V	96
R	S	OE1	GLN	A	46	L	H	HE3	LYS	V	96
R	S	OE1	GLN	A	46	L	H	OE2	GLU	V	100
R	S	OE1	GLN	A	46	L	H	HB2	GLU	V	100
R	S	CA	ALA	A	47	L	H	CG	HIS	V	103
R	S	CA	ALA	A	47	L	H	CD2	HIS	V	103
R	S	CA	ALA	A	47	L	H	ND1	HIS	V	103
R	S	CA	ALA	A	47	L	H	CE1	HIS	V	103
R	S	CA	ALA	A	47	L	H	NE2	HIS	V	103
R	S	CA	ALA	A	47	L	H	HE1	HIS	V	103
R	S	CA	ALA	A	47	L	H	HE2	HIS	V	103
R	S	C	ALA	A	47	L	H	NE2	HIS	V	103
R	S	C	ALA	A	47	L	H	HE2	HIS	V	103
R	S	CB	ALA	A	47	L	H	ND1	HIS	V	103
R	S	CB	ALA	A	47	L	H	CE1	HIS	V	103
R	S	CB	ALA	A	47	L	H	NE2	HIS	V	103
R	S	CB	ALA	A	47	L	H	HE1	HIS	V	103
R	S	CB	ALA	A	47	L	H	HE2	HIS	V	103
R	S	N	THR	A	48	L	H	CE1	HIS	V	103
R	S	N	THR	A	48	L	H	NE2	HIS	V	103
R	S	N	THR	A	48	L	H	HE2	HIS	V	103
R	S	CA	THR	A	48	L	H	HE2	HIS	V	103
R	S	CB	THR	A	48	L	H	HE2	HIS	V	103
R	S	CB	THR	A	48	L	H	HE1	HIS	V	104
R	S	O	THR	A	48	L	H	HE2	HIS	V	103
R	S	OG1	THR	A	48	L	H	HE2	HIS	V	103
R	S	OG1	THR	A	48	L	H	CE1	HIS	V	104
R	S	OG1	THR	A	48	L	H	HE1	HIS	V	104
R	S	OG1	THR	A	48	L	H	HE2	HIS	V	104
R	-	O	ASP	A	51	L	-	CD	ARG	V	66
R	-	O	ASP	A	51	L	-	NE	ARG	V	66
R	-	O	ASP	A	51	L	-	NH1	ARG	V	66
R	-	O	ASP	A	51	L	-	CZ	ARG	V	66
R	-	O	ASP	A	51	L	-	HD3	ARG	V	66
R	-	O	ASP	A	51	L	-	HE	ARG	V	66
R	-	O	ASP	A	51	L	-	HH11	ARG	V	66
R	S	CA	GLU	A	52	L	-	NH2	ARG	V	66
R	S	CA	GLU	A	52	L	-	HE	ARG	V	66
R	S	CA	GLU	A	52	L	-	HH21	ARG	V	66
R	S	CB	GLU	A	52	L	-	NH2	ARG	V	66
R	S	CB	GLU	A	52	L	-	HH21	ARG	V	66
R	S	CB	GLU	A	52	L	-	HH22	ARG	V	66
R	S	CG	GLU	A	52	L	-	NH2	ARG	V	66
R	S	CG	GLU	A	52	L	-	CZ	ARG	V	66
R	S	CG	GLU	A	52	L	-	HH21	ARG	V	66
R	S	CG	GLU	A	52	L	-	HH22	ARG	V	66
R	S	CD	GLU	A	52	L	-	NH2	ARG	V	66
R	S	CD	GLU	A	52	L	-	HH21	ARG	V	66
R	S	CD	GLU	A	52	L	-	HH22	ARG	V	66
R	S	OE1	GLU	A	52	L	-	HH22	ARG	V	66
R	S	OE2	GLU	A	52	L	-	HH21	ARG	V	66
R	S	OE2	GLU	A	52	L	-	HH22	ARG	V	66
R	S	N	VAL	A	53	L	-	HG2	ARG	V	66
R	S	N	VAL	A	53	L	-	HE	ARG	V	66
R	S	N	VAL	A	53	L	-	HH21	ARG	V	66
R	S	CB	VAL	A	53	L	-	HB3	ASP	V	65
R	S	CG1	VAL	A	53	L	-	HB3	ASP	V	65
R	S	CG2	VAL	A	53	L	-	O	ASP	V	65
R	S	CG2	VAL	A	53	L	-	HB3	ASP	V	65
R	S	CG2	VAL	A	53	L	-	HA	ARG	V	66
R	S	CG2	VAL	A	53	L	-	HG2	ARG	V	66
R	S	CG2	VAL	A	53	L	-	HG3	ARG	V	66
R	H	CE1	TYR	A	161	L	H	HE1	HIS	V	103
R	H	CE2	TYR	A	161	L	H	HE1	HIS	V	103
R	H	OH	TYR	A	161	L	H	ND1	HIS	V	103
R	H	OH	TYR	A	161	L	H	CE1	HIS	V	103
R	H	OH	TYR	A	161	L	H	NE2	HIS	V	103
R	H	OH	TYR	A	161	L	H	HE1	HIS	V	103
R	H	OH	TYR	A	161	L	H	HE2	HIS	V	103
R	H	CZ	TYR	A	161	L	H	CE1	HIS	V	103
R	H	CZ	TYR	A	161	L	H	HE1	HIS	V	103

- 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