IID

Q00056_A2RU54.1 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	-	VAL	A	166	L	-	LEU	V	259
R	-	PRO	A	167	L	H	HIS	V	219
R	-	ALA	A	168	L	H	ASN	V	216
R	-	GLY	A	169	L	H	ASN	V	216
R	-	GLY	A	170	L	H	GLU	V	213
R	-	SER	A	171	L	H	GLU	V	213
R	-	ALA	A	174	L	H	LYS	V	205
R	-	CYS	A	175	L	H	LYS	V	205
R	-	LEU	A	177	L	H	GLN	V	198
R	-	LEU	A	177	L	H	ASN	V	202
R	-	THR	A	2	L	-	LYS	V	44
R	-	THR	A	220	L	-	ASP	V	57
R	-	ALA	A	221	L	-	GLU	V	55
R	-	ALA	A	221	L	-	PRO	V	56
R	-	THR	A	223	L	-	GLU	V	54
R	-	THR	A	223	L	-	GLU	V	55
R	-	THR	A	223	L	-	PRO	V	56
R	H	ARG	A	224	L	-	GLU	V	53
R	H	ARG	A	224	L	-	GLU	V	54
R	-	SER	A	4	L	-	LYS	V	44
R	-	GLY	A	64	L	-	HIS	V	80
R	-	GLY	A	64	L	-	HIS	V	81
R	-	GLY	A	65	L	-	HIS	V	80
R	-	GLY	A	65	L	-	HIS	V	81
R	-	GLY	A	65	L	-	PRO	V	82
R	-	GLY	A	66	L	-	HIS	V	81
R	-	GLY	A	66	L	-	PRO	V	82
R	-	ARG	A	67	L	-	PRO	V	82
R	-	ARG	A	67	L	-	PRO	V	83
R	-	ALA	A	71	L	-	GLN	V	70
R	-	TYR	A	73	L	-	PRO	V	68
R	-	TYR	A	73	L	-	GLN	V	70
R	-	TYR	A	74	L	-	PHE	V	66
R	-	TYR	A	74	L	-	PRO	V	68
R	-	ALA	A	75	L	-	PHE	V	66
R	-	ALA	A	75	L	-	CYS	V	67
R	-	ALA	A	75	L	-	PRO	V	68
R	-	PRO	A	76	L	-	CYS	V	65
R	-	PRO	A	76	L	-	PHE	V	66
R	-	ARG	A	77	L	-	CYS	V	65
R	-	THR	A	78	L	-	CYS	V	65
R	-	ARG	A	80	L	-	ASP	V	272
R	-	GLU	A	81	L	-	LYS	V	171
R	-	GLU	A	81	L	-	ALA	V	62
R	-	PRO	A	82	L	-	ASP	V	272
R	-	TYR	A	84	L	-	TYR	V	273
R	-	TYR	A	84	L	-	TRP	V	60
R	-	TYR	A	90	L	-	SER	V	50
R	-	TYR	A	90	L	-	GLU	V	52
R	-	ALA	A	92	L	-	SER	V	48
R	-	HIS	A	93	L	-	SER	V	48
R	-	HIS	A	93	L	-	SER	V	50

- 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

Q00056_A2RU54.1 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	-	O	THR	A	2	L	-	NZ	LYS	V	44
R	-	O	THR	A	2	L	-	HZ1	LYS	V	44
R	-	O	THR	A	2	L	-	HZ2	LYS	V	44
R	-	O	THR	A	2	L	-	HZ3	LYS	V	44
R	-	OG1	THR	A	2	L	-	HZ3	LYS	V	44
R	-	CB	SER	A	4	L	-	HZ1	LYS	V	44
R	-	CB	SER	A	4	L	-	HZ2	LYS	V	44
R	-	N	GLY	A	64	L	-	HE1	HIS	V	80
R	-	N	GLY	A	64	L	-	HE1	HIS	V	81
R	-	CA	GLY	A	64	L	-	HE1	HIS	V	80
R	-	C	GLY	A	64	L	-	HE1	HIS	V	80
R	-	C	GLY	A	64	L	-	HE1	HIS	V	81
R	-	O	GLY	A	64	L	-	HE1	HIS	V	81
R	-	N	GLY	A	65	L	-	CE1	HIS	V	80
R	-	N	GLY	A	65	L	-	HE1	HIS	V	80
R	-	N	GLY	A	65	L	-	HE2	HIS	V	80
R	-	C	GLY	A	65	L	-	HA	HIS	V	81
R	-	C	GLY	A	65	L	-	HD3	PRO	V	82
R	-	O	GLY	A	65	L	-	ND1	HIS	V	81
R	-	O	GLY	A	65	L	-	CE1	HIS	V	81
R	-	O	GLY	A	65	L	-	NE2	HIS	V	81
R	-	O	GLY	A	65	L	-	HA	HIS	V	81
R	-	O	GLY	A	65	L	-	HE1	HIS	V	81
R	-	O	GLY	A	65	L	-	CD	PRO	V	82
R	-	O	GLY	A	65	L	-	HD2	PRO	V	82
R	-	O	GLY	A	65	L	-	HD3	PRO	V	82
R	-	N	GLY	A	66	L	-	H	HIS	V	81
R	-	N	GLY	A	66	L	-	HA	HIS	V	81
R	-	N	GLY	A	66	L	-	HD3	PRO	V	82
R	-	CA	GLY	A	66	L	-	H	HIS	V	81
R	-	CA	GLY	A	66	L	-	HD3	PRO	V	82
R	-	C	GLY	A	66	L	-	H	HIS	V	81
R	-	C	GLY	A	66	L	-	HB3	PRO	V	82
R	-	C	GLY	A	66	L	-	HD3	PRO	V	82
R	-	O	GLY	A	66	L	-	H	HIS	V	81
R	-	O	GLY	A	66	L	-	HA	HIS	V	81
R	-	O	GLY	A	66	L	-	N	PRO	V	82
R	-	O	GLY	A	66	L	-	CA	PRO	V	82
R	-	O	GLY	A	66	L	-	CB	PRO	V	82
R	-	O	GLY	A	66	L	-	CG	PRO	V	82
R	-	O	GLY	A	66	L	-	CD	PRO	V	82
R	-	O	GLY	A	66	L	-	HA	PRO	V	82
R	-	O	GLY	A	66	L	-	HB3	PRO	V	82
R	-	O	GLY	A	66	L	-	HG2	PRO	V	82
R	-	O	GLY	A	66	L	-	HD3	PRO	V	82
R	-	O	ARG	A	67	L	-	CA	PRO	V	82
R	-	O	ARG	A	67	L	-	HA	PRO	V	82
R	-	O	ARG	A	67	L	-	HB3	PRO	V	82
R	-	O	ARG	A	67	L	-	HD2	PRO	V	83
R	-	CB	ALA	A	71	L	-	OE1	GLN	V	70
R	-	N	TYR	A	73	L	-	HG3	PRO	V	68
R	-	CA	TYR	A	73	L	-	CG	PRO	V	68
R	-	CA	TYR	A	73	L	-	HG2	PRO	V	68
R	-	CA	TYR	A	73	L	-	HG3	PRO	V	68
R	-	C	TYR	A	73	L	-	HG3	PRO	V	68
R	-	CG	TYR	A	73	L	-	HG2	PRO	V	68
R	-	CD2	TYR	A	73	L	-	HG2	PRO	V	68
R	-	CD2	TYR	A	73	L	-	HG2	GLN	V	70
R	-	CE2	TYR	A	73	L	-	HG2	PRO	V	68
R	-	CE2	TYR	A	73	L	-	HG2	GLN	V	70
R	-	N	TYR	A	74	L	-	CG	PRO	V	68
R	-	N	TYR	A	74	L	-	HG3	PRO	V	68
R	-	CA	TYR	A	74	L	-	HG3	PRO	V	68
R	-	C	TYR	A	74	L	-	CG	PRO	V	68
R	-	C	TYR	A	74	L	-	CD	PRO	V	68
R	-	C	TYR	A	74	L	-	HG3	PRO	V	68
R	-	C	TYR	A	74	L	-	HD2	PRO	V	68
R	-	O	TYR	A	74	L	-	O	PHE	V	66
R	-	O	TYR	A	74	L	-	CD1	PHE	V	66
R	-	O	TYR	A	74	L	-	HD1	PHE	V	66
R	-	O	TYR	A	74	L	-	CD	PRO	V	68
R	-	O	TYR	A	74	L	-	HG3	PRO	V	68
R	-	O	TYR	A	74	L	-	HD2	PRO	V	68
R	-	N	ALA	A	75	L	-	CD	PRO	V	68
R	-	N	ALA	A	75	L	-	HG3	PRO	V	68
R	-	N	ALA	A	75	L	-	HD2	PRO	V	68
R	-	N	ALA	A	75	L	-	HD3	PRO	V	68
R	-	CA	ALA	A	75	L	-	O	PHE	V	66
R	-	CA	ALA	A	75	L	-	HA	CYS	V	67
R	-	CA	ALA	A	75	L	-	HD2	PRO	V	68
R	-	CA	ALA	A	75	L	-	HD3	PRO	V	68
R	-	CB	ALA	A	75	L	-	O	PHE	V	66
R	-	CB	ALA	A	75	L	-	HA	CYS	V	67
R	-	CB	ALA	A	75	L	-	HD2	PRO	V	68
R	-	CB	ALA	A	75	L	-	HD3	PRO	V	68
R	-	N	PRO	A	76	L	-	O	PHE	V	66
R	-	C	PRO	A	76	L	-	HG	CYS	V	65
R	-	O	PRO	A	76	L	-	SG	CYS	V	65
R	-	O	PRO	A	76	L	-	HA	CYS	V	65
R	-	O	PRO	A	76	L	-	HG	CYS	V	65
R	-	CG	PRO	A	76	L	-	H	PHE	V	66
R	-	CG	PRO	A	76	L	-	HB3	PHE	V	66
R	-	CD	PRO	A	76	L	-	O	PHE	V	66
R	-	CD	PRO	A	76	L	-	H	PHE	V	66
R	-	CD	PRO	A	76	L	-	HB3	PHE	V	66
R	-	CD	PRO	A	76	L	-	HD1	PHE	V	66
R	-	C	ARG	A	77	L	-	HG	CYS	V	65
R	-	N	THR	A	78	L	-	HG	CYS	V	65
R	-	NE	ARG	A	80	L	-	OD1	ASP	V	272
R	-	NH2	ARG	A	80	L	-	OD1	ASP	V	272
R	-	CZ	ARG	A	80	L	-	OD1	ASP	V	272
R	-	N	GLU	A	81	L	-	HZ3	LYS	V	171
R	-	CB	GLU	A	81	L	-	HZ3	LYS	V	171
R	-	O	GLU	A	81	L	-	CD	LYS	V	171
R	-	O	GLU	A	81	L	-	HD2	LYS	V	171
R	-	O	GLU	A	81	L	-	HD3	LYS	V	171
R	-	O	GLU	A	81	L	-	HZ3	LYS	V	171
R	-	OE1	GLU	A	81	L	-	HB1	ALA	V	62
R	-	OE1	GLU	A	81	L	-	HB2	ALA	V	62
R	-	OE2	GLU	A	81	L	-	HB2	ALA	V	62
R	-	CB	PRO	A	82	L	-	HB3	ASP	V	272
R	-	CD2	TYR	A	84	L	-	HH2	TRP	V	60
R	-	CE2	TYR	A	84	L	-	HH2	TRP	V	60
R	-	CE2	TYR	A	84	L	-	HD2	TYR	V	273
R	-	CE2	TYR	A	84	L	-	HE2	TYR	V	273
R	-	OH	TYR	A	84	L	-	CD2	TYR	V	273
R	-	OH	TYR	A	84	L	-	CE2	TYR	V	273
R	-	OH	TYR	A	84	L	-	HB2	TYR	V	273
R	-	OH	TYR	A	84	L	-	HD2	TYR	V	273
R	-	OH	TYR	A	84	L	-	HE2	TYR	V	273
R	-	CZ	TYR	A	84	L	-	HD2	TYR	V	273
R	-	CZ	TYR	A	84	L	-	HE2	TYR	V	273
R	-	CD1	TYR	A	90	L	-	O	SER	V	50
R	-	CE1	TYR	A	90	L	-	H	GLU	V	52
R	-	N	ALA	A	92	L	-	O	SER	V	48
R	-	CA	ALA	A	92	L	-	C	SER	V	48
R	-	CA	ALA	A	92	L	-	O	SER	V	48
R	-	CA	ALA	A	92	L	-	HB2	SER	V	48
R	-	C	ALA	A	92	L	-	O	SER	V	48
R	-	C	ALA	A	92	L	-	HB2	SER	V	48
R	-	CB	ALA	A	92	L	-	N	SER	V	48
R	-	CB	ALA	A	92	L	-	CA	SER	V	48
R	-	CB	ALA	A	92	L	-	C	SER	V	48
R	-	CB	ALA	A	92	L	-	CB	SER	V	48
R	-	CB	ALA	A	92	L	-	O	SER	V	48
R	-	CB	ALA	A	92	L	-	H	SER	V	48
R	-	CB	ALA	A	92	L	-	HB2	SER	V	48
R	-	CB	HIS	A	93	L	-	HB2	SER	V	50
R	-	O	HIS	A	93	L	-	CB	SER	V	48
R	-	O	HIS	A	93	L	-	HB2	SER	V	48
R	-	O	HIS	A	93	L	-	HB3	SER	V	48
R	-	CD2	HIS	A	93	L	-	HB3	SER	V	50
R	-	CB	VAL	A	166	L	-	HB3	LEU	V	259
R	-	CB	VAL	A	166	L	-	HD13	LEU	V	259
R	-	CG1	VAL	A	166	L	-	HD13	LEU	V	259
R	-	CG1	VAL	A	166	L	-	HD23	LEU	V	259
R	-	CG2	VAL	A	166	L	-	CB	LEU	V	259
R	-	CG2	VAL	A	166	L	-	HB3	LEU	V	259
R	-	CG2	VAL	A	166	L	-	HD13	LEU	V	259
R	-	CG2	VAL	A	166	L	-	HD23	LEU	V	259
R	-	CB	PRO	A	167	L	H	HD2	HIS	V	219
R	-	CG	PRO	A	167	L	H	CG	HIS	V	219
R	-	CG	PRO	A	167	L	H	CD2	HIS	V	219
R	-	CG	PRO	A	167	L	H	CE1	HIS	V	219
R	-	CG	PRO	A	167	L	H	NE2	HIS	V	219
R	-	CG	PRO	A	167	L	H	HD2	HIS	V	219
R	-	CG	PRO	A	167	L	H	HE2	HIS	V	219
R	-	CA	ALA	A	168	L	H	OD1	ASN	V	216
R	-	CB	ALA	A	168	L	H	OD1	ASN	V	216
R	-	N	GLY	A	169	L	H	HB2	ASN	V	216
R	-	CA	GLY	A	169	L	H	CG	ASN	V	216
R	-	CA	GLY	A	169	L	H	ND2	ASN	V	216
R	-	CA	GLY	A	169	L	H	OD1	ASN	V	216
R	-	CA	GLY	A	169	L	H	HB2	ASN	V	216
R	-	N	GLY	A	170	L	H	OE1	GLU	V	213
R	-	N	SER	A	171	L	H	OE1	GLU	V	213
R	-	CB	SER	A	171	L	H	OE1	GLU	V	213
R	-	CA	ALA	A	174	L	H	HE3	LYS	V	205
R	-	CA	ALA	A	174	L	H	HZ1	LYS	V	205
R	-	CA	ALA	A	174	L	H	HZ3	LYS	V	205
R	-	CB	ALA	A	174	L	H	CE	LYS	V	205
R	-	CB	ALA	A	174	L	H	NZ	LYS	V	205
R	-	CB	ALA	A	174	L	H	HD2	LYS	V	205
R	-	CB	ALA	A	174	L	H	HE3	LYS	V	205
R	-	CB	ALA	A	174	L	H	HZ1	LYS	V	205
R	-	CB	ALA	A	174	L	H	HZ3	LYS	V	205
R	-	O	CYS	A	175	L	H	HZ1	LYS	V	205
R	-	CB	LEU	A	177	L	H	HG2	GLN	V	198
R	-	CB	LEU	A	177	L	H	HE21	GLN	V	198
R	-	CB	LEU	A	177	L	H	HD22	ASN	V	202
R	-	CG	LEU	A	177	L	H	CG	GLN	V	198
R	-	CG	LEU	A	177	L	H	CD	GLN	V	198
R	-	CG	LEU	A	177	L	H	NE2	GLN	V	198
R	-	CG	LEU	A	177	L	H	OE1	GLN	V	198
R	-	CG	LEU	A	177	L	H	HG2	GLN	V	198
R	-	CD1	LEU	A	177	L	H	CB	GLN	V	198
R	-	CD1	LEU	A	177	L	H	CG	GLN	V	198
R	-	CD1	LEU	A	177	L	H	CD	GLN	V	198
R	-	CD1	LEU	A	177	L	H	NE2	GLN	V	198
R	-	CD1	LEU	A	177	L	H	OE1	GLN	V	198
R	-	CD1	LEU	A	177	L	H	HG2	GLN	V	198
R	-	CD1	LEU	A	177	L	H	HG3	GLN	V	198
R	-	CD1	LEU	A	177	L	H	HE21	GLN	V	198
R	-	CD1	LEU	A	177	L	H	HD22	ASN	V	202
R	-	CG2	THR	A	220	L	-	HB2	ASP	V	57
R	-	OG1	THR	A	220	L	-	OD2	ASP	V	57
R	-	N	ALA	A	221	L	-	HB3	GLU	V	55
R	-	N	ALA	A	221	L	-	HG3	GLU	V	55
R	-	CA	ALA	A	221	L	-	HB2	GLU	V	55
R	-	CA	ALA	A	221	L	-	HB3	GLU	V	55
R	-	CA	ALA	A	221	L	-	HG3	GLU	V	55
R	-	C	ALA	A	221	L	-	HB2	GLU	V	55
R	-	C	ALA	A	221	L	-	HB3	GLU	V	55
R	-	CB	ALA	A	221	L	-	CB	GLU	V	55
R	-	CB	ALA	A	221	L	-	CG	GLU	V	55
R	-	CB	ALA	A	221	L	-	HB2	GLU	V	55
R	-	CB	ALA	A	221	L	-	HB3	GLU	V	55
R	-	CB	ALA	A	221	L	-	HG3	GLU	V	55
R	-	O	ALA	A	221	L	-	CB	GLU	V	55
R	-	O	ALA	A	221	L	-	HB2	GLU	V	55
R	-	O	ALA	A	221	L	-	HB3	GLU	V	55
R	-	O	ALA	A	221	L	-	HA	PRO	V	56
R	-	O	ALA	A	221	L	-	HB3	PRO	V	56
R	-	CA	THR	A	223	L	-	HG3	GLU	V	54
R	-	CA	THR	A	223	L	-	O	GLU	V	55
R	-	C	THR	A	223	L	-	HG3	GLU	V	54
R	-	CB	THR	A	223	L	-	OE1	GLU	V	54
R	-	CB	THR	A	223	L	-	HG3	GLU	V	54
R	-	CB	THR	A	223	L	-	O	GLU	V	55
R	-	CG2	THR	A	223	L	-	OE1	GLU	V	54
R	-	CG2	THR	A	223	L	-	O	GLU	V	55
R	-	CG2	THR	A	223	L	-	CG	PRO	V	56
R	-	CG2	THR	A	223	L	-	HB3	PRO	V	56
R	-	CG2	THR	A	223	L	-	HG3	PRO	V	56
R	-	CG2	THR	A	223	L	-	HD2	PRO	V	56
R	H	N	ARG	A	224	L	-	HG3	GLU	V	54
R	H	CB	ARG	A	224	L	-	OE2	GLU	V	53
R	H	CB	ARG	A	224	L	-	HB3	GLU	V	53
R	H	CB	ARG	A	224	L	-	HG3	GLU	V	54
R	H	CG	ARG	A	224	L	-	CD	GLU	V	53
R	H	CG	ARG	A	224	L	-	OE2	GLU	V	53
R	H	CD	ARG	A	224	L	-	CD	GLU	V	53
R	H	CD	ARG	A	224	L	-	OE2	GLU	V	53
R	H	NE	ARG	A	224	L	-	CD	GLU	V	53
R	H	NE	ARG	A	224	L	-	OE2	GLU	V	53

- 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