IID

O95800_Q9H845.1 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	S	VAL	A	232	L	-	VAL	V	537
R	S	VAL	A	232	L	-	PRO	V	538
R	-	SER	A	234	L	-	VAL	V	540
R	-	GLY	A	236	L	-	VAL	V	537
R	H	HIS	A	453	L	H	PRO	V	70
R	H	LEU	A	455	L	H	LEU	V	65
R	H	LYS	A	456	L	H	LEU	V	65
R	H	LYS	A	456	L	H	SER	V	66
R	H	LYS	A	456	L	-	PHE	V	68
R	H	LYS	A	456	L	-	ASP	V	69
R	H	LYS	A	456	L	H	PRO	V	70
R	-	GLN	A	457	L	H	LYS	V	386
R	-	GLN	A	457	L	-	ASP	V	69
R	-	ALA	A	458	L	H	LYS	V	386
R	-	ALA	A	458	L	H	ILE	V	62
R	H	VAL	A	460	L	H	TRP	V	389
R	H	VAL	A	463	L	H	TYR	V	58
R	H	VAL	A	463	L	H	PHE	V	61
R	H	VAL	A	463	L	H	ILE	V	62
R	H	VAL	A	463	L	H	LEU	V	65
R	H	MET	A	464	L	H	CYS	V	390
R	H	MET	A	464	L	H	TYR	V	393
R	H	MET	A	464	L	H	ILE	V	394
R	H	THR	A	466	L	H	PHE	V	61
R	H	VAL	A	467	L	H	TYR	V	58
R	H	ARG	A	470	L	H	PHE	V	61
R	H	ARG	A	470	L	H	LEU	V	91
R	H	LEU	A	471	L	H	PHE	V	53
R	H	LEU	A	517	L	H	LEU	V	65
R	H	LEU	A	517	L	-	PHE	V	68
R	H	ARG	A	518	L	-	PHE	V	68
R	-	ASP	A	587	L	H	PHE	V	92
R	-	LYS	A	588	L	H	THR	V	120
R	-	LYS	A	588	L	H	PHE	V	92
R	-	LYS	A	588	L	H	VAL	V	96
R	-	TYR	A	589	L	H	THR	V	120
R	-	PRO	A	591	L	H	TRP	V	169
R	-	PRO	A	591	L	H	PHE	V	88
R	-	GLU	A	592	L	H	PHE	V	128
R	-	GLU	A	592	L	H	TRP	V	169
R	-	GLU	A	592	L	H	PHE	V	173
R	H	GLU	A	596	L	H	LEU	V	166

- 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

O95800_Q9H845.1 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	S	CA	VAL	A	232	L	-	HD3	PRO	V	538
R	S	CB	VAL	A	232	L	-	HG13	VAL	V	537
R	S	CB	VAL	A	232	L	-	O	PRO	V	538
R	S	CB	VAL	A	232	L	-	CD	PRO	V	538
R	S	CB	VAL	A	232	L	-	HD3	PRO	V	538
R	S	CG1	VAL	A	232	L	-	CG1	VAL	V	537
R	S	CG1	VAL	A	232	L	-	HA	VAL	V	537
R	S	CG1	VAL	A	232	L	-	HG11	VAL	V	537
R	S	CG1	VAL	A	232	L	-	HG12	VAL	V	537
R	S	CG1	VAL	A	232	L	-	HG13	VAL	V	537
R	S	CG1	VAL	A	232	L	-	N	PRO	V	538
R	S	CG1	VAL	A	232	L	-	C	PRO	V	538
R	S	CG1	VAL	A	232	L	-	O	PRO	V	538
R	S	CG1	VAL	A	232	L	-	CD	PRO	V	538
R	S	CG1	VAL	A	232	L	-	HD3	PRO	V	538
R	S	CG2	VAL	A	232	L	-	HA	VAL	V	537
R	S	CG2	VAL	A	232	L	-	HG13	VAL	V	537
R	S	CG2	VAL	A	232	L	-	N	PRO	V	538
R	S	CG2	VAL	A	232	L	-	O	PRO	V	538
R	S	CG2	VAL	A	232	L	-	CD	PRO	V	538
R	S	CG2	VAL	A	232	L	-	HG2	PRO	V	538
R	S	CG2	VAL	A	232	L	-	HD2	PRO	V	538
R	S	CG2	VAL	A	232	L	-	HD3	PRO	V	538
R	-	CA	SER	A	234	L	-	O	VAL	V	540
R	-	C	SER	A	234	L	-	O	VAL	V	540
R	-	CB	SER	A	234	L	-	O	VAL	V	540
R	-	O	SER	A	234	L	-	O	VAL	V	540
R	-	CA	GLY	A	236	L	-	CG1	VAL	V	537
R	-	CA	GLY	A	236	L	-	HG12	VAL	V	537
R	-	CA	GLY	A	236	L	-	HG13	VAL	V	537
R	-	C	GLY	A	236	L	-	HG12	VAL	V	537
R	-	C	GLY	A	236	L	-	HG13	VAL	V	537
R	-	O	GLY	A	236	L	-	CG1	VAL	V	537
R	-	O	GLY	A	236	L	-	CG2	VAL	V	537
R	-	O	GLY	A	236	L	-	HG12	VAL	V	537
R	-	O	GLY	A	236	L	-	HG13	VAL	V	537
R	-	O	GLY	A	236	L	-	HG22	VAL	V	537
R	-	O	GLY	A	236	L	-	HG23	VAL	V	537
R	H	ND1	HIS	A	453	L	H	HG2	PRO	V	70
R	H	ND1	HIS	A	453	L	H	HG3	PRO	V	70
R	H	CE1	HIS	A	453	L	H	HG2	PRO	V	70
R	H	CE1	HIS	A	453	L	H	HG3	PRO	V	70
R	H	CA	LEU	A	455	L	H	HD11	LEU	V	65
R	H	C	LEU	A	455	L	H	CD1	LEU	V	65
R	H	C	LEU	A	455	L	H	HB3	LEU	V	65
R	H	C	LEU	A	455	L	H	HD11	LEU	V	65
R	H	C	LEU	A	455	L	H	HD23	LEU	V	65
R	H	CB	LEU	A	455	L	H	HD11	LEU	V	65
R	H	CB	LEU	A	455	L	H	HD12	LEU	V	65
R	H	CB	LEU	A	455	L	H	HD23	LEU	V	65
R	H	O	LEU	A	455	L	H	CB	LEU	V	65
R	H	O	LEU	A	455	L	H	CG	LEU	V	65
R	H	O	LEU	A	455	L	H	CD1	LEU	V	65
R	H	O	LEU	A	455	L	H	HB3	LEU	V	65
R	H	O	LEU	A	455	L	H	HD11	LEU	V	65
R	H	O	LEU	A	455	L	H	HD12	LEU	V	65
R	H	O	LEU	A	455	L	H	HD13	LEU	V	65
R	H	O	LEU	A	455	L	H	HD23	LEU	V	65
R	H	CD2	LEU	A	455	L	H	HD12	LEU	V	65
R	H	CA	LYS	A	456	L	H	HB3	LEU	V	65
R	H	CA	LYS	A	456	L	-	HA	ASP	V	69
R	H	CA	LYS	A	456	L	-	HB2	ASP	V	69
R	H	C	LYS	A	456	L	-	CA	ASP	V	69
R	H	C	LYS	A	456	L	-	CB	ASP	V	69
R	H	C	LYS	A	456	L	-	CG	ASP	V	69
R	H	C	LYS	A	456	L	-	OD2	ASP	V	69
R	H	C	LYS	A	456	L	-	HA	ASP	V	69
R	H	C	LYS	A	456	L	-	HB2	ASP	V	69
R	H	CB	LYS	A	456	L	-	C	PHE	V	68
R	H	CB	LYS	A	456	L	-	O	PHE	V	68
R	H	CB	LYS	A	456	L	-	N	ASP	V	69
R	H	CB	LYS	A	456	L	-	CA	ASP	V	69
R	H	CB	LYS	A	456	L	-	HA	ASP	V	69
R	H	CB	LYS	A	456	L	-	HB2	ASP	V	69
R	H	CB	LYS	A	456	L	H	CD	PRO	V	70
R	H	CB	LYS	A	456	L	H	HD2	PRO	V	70
R	H	CB	LYS	A	456	L	H	HD3	PRO	V	70
R	H	O	LYS	A	456	L	H	O	LEU	V	65
R	H	O	LYS	A	456	L	H	HB3	LEU	V	65
R	H	O	LYS	A	456	L	H	HA	SER	V	66
R	H	O	LYS	A	456	L	-	N	ASP	V	69
R	H	O	LYS	A	456	L	-	CA	ASP	V	69
R	H	O	LYS	A	456	L	-	CB	ASP	V	69
R	H	O	LYS	A	456	L	-	CG	ASP	V	69
R	H	O	LYS	A	456	L	-	OD1	ASP	V	69
R	H	O	LYS	A	456	L	-	OD2	ASP	V	69
R	H	O	LYS	A	456	L	-	H	ASP	V	69
R	H	O	LYS	A	456	L	-	HA	ASP	V	69
R	H	O	LYS	A	456	L	-	HB2	ASP	V	69
R	H	O	LYS	A	456	L	-	HB3	ASP	V	69
R	H	CG	LYS	A	456	L	-	C	PHE	V	68
R	H	CG	LYS	A	456	L	-	CB	PHE	V	68
R	H	CG	LYS	A	456	L	-	O	PHE	V	68
R	H	CG	LYS	A	456	L	-	HB2	PHE	V	68
R	H	CG	LYS	A	456	L	-	HB3	PHE	V	68
R	H	CG	LYS	A	456	L	-	HA	ASP	V	69
R	H	CG	LYS	A	456	L	H	HD2	PRO	V	70
R	H	CD	LYS	A	456	L	-	C	PHE	V	68
R	H	CD	LYS	A	456	L	-	CB	PHE	V	68
R	H	CD	LYS	A	456	L	-	O	PHE	V	68
R	H	CD	LYS	A	456	L	-	HB3	PHE	V	68
R	H	CD	LYS	A	456	L	-	HA	ASP	V	69
R	H	CD	LYS	A	456	L	H	HD2	PRO	V	70
R	H	CE	LYS	A	456	L	-	CB	PHE	V	68
R	H	CE	LYS	A	456	L	-	O	PHE	V	68
R	H	CE	LYS	A	456	L	-	HB3	PHE	V	68
R	H	NZ	LYS	A	456	L	-	O	PHE	V	68
R	H	NZ	LYS	A	456	L	-	HB3	PHE	V	68
R	-	N	GLN	A	457	L	-	CB	ASP	V	69
R	-	N	GLN	A	457	L	-	CG	ASP	V	69
R	-	N	GLN	A	457	L	-	OD2	ASP	V	69
R	-	N	GLN	A	457	L	-	HA	ASP	V	69
R	-	N	GLN	A	457	L	-	HB2	ASP	V	69
R	-	CA	GLN	A	457	L	-	CG	ASP	V	69
R	-	CA	GLN	A	457	L	-	OD2	ASP	V	69
R	-	CA	GLN	A	457	L	-	HB2	ASP	V	69
R	-	C	GLN	A	457	L	-	OD2	ASP	V	69
R	-	C	GLN	A	457	L	H	HZ2	LYS	V	386
R	-	CB	GLN	A	457	L	-	OD2	ASP	V	69
R	-	O	GLN	A	457	L	H	NZ	LYS	V	386
R	-	O	GLN	A	457	L	H	HZ1	LYS	V	386
R	-	O	GLN	A	457	L	H	HZ2	LYS	V	386
R	-	CG	GLN	A	457	L	-	CG	ASP	V	69
R	-	CG	GLN	A	457	L	-	OD1	ASP	V	69
R	-	CG	GLN	A	457	L	-	OD2	ASP	V	69
R	-	CA	ALA	A	458	L	H	HD12	ILE	V	62
R	-	CA	ALA	A	458	L	H	HZ2	LYS	V	386
R	-	CB	ALA	A	458	L	H	CD1	ILE	V	62
R	-	CB	ALA	A	458	L	H	HG23	ILE	V	62
R	-	CB	ALA	A	458	L	H	HD12	ILE	V	62
R	-	CB	ALA	A	458	L	H	HD13	ILE	V	62
R	-	CB	ALA	A	458	L	H	NZ	LYS	V	386
R	-	CB	ALA	A	458	L	H	HD3	LYS	V	386
R	-	CB	ALA	A	458	L	H	HZ2	LYS	V	386
R	-	O	ALA	A	458	L	H	HD12	ILE	V	62
R	-	O	ALA	A	458	L	H	HD3	LYS	V	386
R	H	CG2	VAL	A	460	L	H	HE3	TRP	V	389
R	H	CA	VAL	A	463	L	H	HE1	PHE	V	61
R	H	CB	VAL	A	463	L	H	HE2	TYR	V	58
R	H	CB	VAL	A	463	L	H	HE1	PHE	V	61
R	H	CB	VAL	A	463	L	H	HD11	ILE	V	62
R	H	CB	VAL	A	463	L	H	HD13	ILE	V	62
R	H	O	VAL	A	463	L	H	HE1	PHE	V	61
R	H	CG1	VAL	A	463	L	H	CE2	TYR	V	58
R	H	CG1	VAL	A	463	L	H	HD2	TYR	V	58
R	H	CG1	VAL	A	463	L	H	HE2	TYR	V	58
R	H	CG1	VAL	A	463	L	H	CD1	PHE	V	61
R	H	CG1	VAL	A	463	L	H	CE1	PHE	V	61
R	H	CG1	VAL	A	463	L	H	HD1	PHE	V	61
R	H	CG1	VAL	A	463	L	H	HE1	PHE	V	61
R	H	CG1	VAL	A	463	L	H	CD1	ILE	V	62
R	H	CG1	VAL	A	463	L	H	HD11	ILE	V	62
R	H	CG1	VAL	A	463	L	H	HD13	ILE	V	62
R	H	CG1	VAL	A	463	L	H	HD13	LEU	V	65
R	H	CG2	VAL	A	463	L	H	HE1	PHE	V	61
R	H	CG2	VAL	A	463	L	H	CD1	ILE	V	62
R	H	CG2	VAL	A	463	L	H	HD11	ILE	V	62
R	H	CG2	VAL	A	463	L	H	HD13	ILE	V	62
R	H	CG2	VAL	A	463	L	H	CD1	LEU	V	65
R	H	CG2	VAL	A	463	L	H	HD11	LEU	V	65
R	H	CG2	VAL	A	463	L	H	HD13	LEU	V	65
R	H	CG	MET	A	464	L	H	HG	CYS	V	390
R	H	SD	MET	A	464	L	H	HG	CYS	V	390
R	H	CE	MET	A	464	L	H	SG	CYS	V	390
R	H	CE	MET	A	464	L	H	HA	CYS	V	390
R	H	CE	MET	A	464	L	H	HG	CYS	V	390
R	H	CE	MET	A	464	L	H	CB	TYR	V	393
R	H	CE	MET	A	464	L	H	HB2	TYR	V	393
R	H	CE	MET	A	464	L	H	HB3	TYR	V	393
R	H	CE	MET	A	464	L	H	HG13	ILE	V	394
R	H	CG2	THR	A	466	L	H	HZ	PHE	V	61
R	H	CG2	VAL	A	467	L	H	HD2	TYR	V	58
R	H	NH1	ARG	A	470	L	H	CD2	PHE	V	61
R	H	NH1	ARG	A	470	L	H	CE2	PHE	V	61
R	H	NH1	ARG	A	470	L	H	HD2	PHE	V	61
R	H	NH1	ARG	A	470	L	H	HE2	PHE	V	61
R	H	NH1	ARG	A	470	L	H	HD23	LEU	V	91
R	H	NH2	ARG	A	470	L	H	HE2	PHE	V	61
R	H	CZ	ARG	A	470	L	H	HE2	PHE	V	61
R	H	CA	LEU	A	471	L	H	HZ	PHE	V	53
R	H	CB	LEU	A	471	L	H	HZ	PHE	V	53
R	H	CG	LEU	A	471	L	H	CE1	PHE	V	53
R	H	CG	LEU	A	471	L	H	CZ	PHE	V	53
R	H	CG	LEU	A	471	L	H	HE1	PHE	V	53
R	H	CG	LEU	A	471	L	H	HZ	PHE	V	53
R	H	CD1	LEU	A	471	L	H	CE1	PHE	V	53
R	H	CD1	LEU	A	471	L	H	HE1	PHE	V	53
R	H	CD1	LEU	A	471	L	H	HZ	PHE	V	53
R	H	CD2	LEU	A	471	L	H	CD1	PHE	V	53
R	H	CD2	LEU	A	471	L	H	CE1	PHE	V	53
R	H	CD2	LEU	A	471	L	H	CE2	PHE	V	53
R	H	CD2	LEU	A	471	L	H	CZ	PHE	V	53
R	H	CD2	LEU	A	471	L	H	HE1	PHE	V	53
R	H	CD2	LEU	A	471	L	H	HZ	PHE	V	53
R	H	O	LEU	A	517	L	-	CD1	PHE	V	68
R	H	O	LEU	A	517	L	-	HB3	PHE	V	68
R	H	O	LEU	A	517	L	-	HD1	PHE	V	68
R	H	CG	LEU	A	517	L	H	HD22	LEU	V	65
R	H	CG	LEU	A	517	L	H	HD23	LEU	V	65
R	H	CD1	LEU	A	517	L	H	HD23	LEU	V	65
R	H	CD2	LEU	A	517	L	H	CD2	LEU	V	65
R	H	CD2	LEU	A	517	L	H	HD21	LEU	V	65
R	H	CD2	LEU	A	517	L	H	HD22	LEU	V	65
R	H	CD2	LEU	A	517	L	H	HD23	LEU	V	65
R	H	CA	ARG	A	518	L	-	HE1	PHE	V	68
R	H	C	ARG	A	518	L	-	HE1	PHE	V	68
R	H	O	ARG	A	518	L	-	CD1	PHE	V	68
R	H	O	ARG	A	518	L	-	CE1	PHE	V	68
R	H	O	ARG	A	518	L	-	HD1	PHE	V	68
R	H	O	ARG	A	518	L	-	HE1	PHE	V	68
R	-	O	ASP	A	587	L	H	HZ	PHE	V	92
R	-	CA	LYS	A	588	L	H	HE1	PHE	V	92
R	-	CA	LYS	A	588	L	H	HZ	PHE	V	92
R	-	C	LYS	A	588	L	H	HE1	PHE	V	92
R	-	C	LYS	A	588	L	H	HZ	PHE	V	92
R	-	O	LYS	A	588	L	H	CE1	PHE	V	92
R	-	O	LYS	A	588	L	H	CZ	PHE	V	92
R	-	O	LYS	A	588	L	H	HE1	PHE	V	92
R	-	O	LYS	A	588	L	H	HZ	PHE	V	92
R	-	CG	LYS	A	588	L	H	HE1	PHE	V	92
R	-	CE	LYS	A	588	L	H	HG12	VAL	V	96
R	-	CE	LYS	A	588	L	H	HG13	VAL	V	96
R	-	NZ	LYS	A	588	L	H	HG21	THR	V	120
R	-	OH	TYR	A	589	L	H	CG2	THR	V	120
R	-	OH	TYR	A	589	L	H	HG21	THR	V	120
R	-	OH	TYR	A	589	L	H	HG22	THR	V	120
R	-	CB	PRO	A	591	L	H	HE1	PHE	V	88
R	-	CB	PRO	A	591	L	H	CZ3	TRP	V	169
R	-	CB	PRO	A	591	L	H	HH2	TRP	V	169
R	-	CB	PRO	A	591	L	H	HZ3	TRP	V	169
R	-	CG	PRO	A	591	L	H	CE1	PHE	V	88
R	-	CG	PRO	A	591	L	H	CZ	PHE	V	88
R	-	CG	PRO	A	591	L	H	HE1	PHE	V	88
R	-	CG	PRO	A	591	L	H	HZ	PHE	V	88
R	-	CD	PRO	A	591	L	H	HZ	PHE	V	88
R	-	OE1	GLU	A	592	L	H	CZ	PHE	V	128
R	-	OE1	GLU	A	592	L	H	HE2	PHE	V	128
R	-	OE1	GLU	A	592	L	H	HZ	PHE	V	128
R	-	OE1	GLU	A	592	L	H	HZ3	TRP	V	169
R	-	OE1	GLU	A	592	L	H	CZ	PHE	V	173
R	-	OE1	GLU	A	592	L	H	HE1	PHE	V	173
R	-	OE1	GLU	A	592	L	H	HZ	PHE	V	173
R	H	CD	GLU	A	596	L	H	CD2	LEU	V	166
R	H	CD	GLU	A	596	L	H	HD22	LEU	V	166
R	H	CD	GLU	A	596	L	H	HD23	LEU	V	166
R	H	OE1	GLU	A	596	L	H	CD2	LEU	V	166
R	H	OE1	GLU	A	596	L	H	HD21	LEU	V	166
R	H	OE1	GLU	A	596	L	H	HD22	LEU	V	166
R	H	OE1	GLU	A	596	L	H	HD23	LEU	V	166
R	H	OE2	GLU	A	596	L	H	CD2	LEU	V	166
R	H	OE2	GLU	A	596	L	H	HD13	LEU	V	166
R	H	OE2	GLU	A	596	L	H	HD21	LEU	V	166
R	H	OE2	GLU	A	596	L	H	HD22	LEU	V	166
R	H	OE2	GLU	A	596	L	H	HD23	LEU	V	166

- 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