IID

Q96A58_Q969Q4.1 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	-	LYS	V	10
R	-	MET	A	1	L	-	VAL	V	57
R	-	MET	A	1	L	-	ARG	V	7
R	-	MET	A	1	L	-	GLY	V	8
R	-	MET	A	1	L	-	HIS	V	9
R	H	ARG	A	178	L	H	GLN	V	167
R	H	ARG	A	179	L	S	GLU	V	150
R	H	ARG	A	179	L	H	SER	V	171
R	H	ARG	A	179	L	H	LEU	V	172
R	H	SER	A	182	L	S	ARG	V	152
R	H	VAL	A	186	L	H	LEU	V	132
R	H	VAL	A	186	L	S	ARG	V	152
R	H	ILE	A	190	L	H	LEU	V	132
R	H	ILE	A	190	L	H	LEU	V	133
R	H	MET	A	193	L	-	PRO	V	131
R	H	LEU	A	194	L	H	LEU	V	133
R	-	ALA	A	2	L	H	LEU	V	173
R	-	ALA	A	2	L	H	LYS	V	174
R	-	ALA	A	2	L	H	SER	V	177
R	-	ALA	A	2	L	-	VAL	V	57
R	-	ALA	A	2	L	-	HIS	V	9
R	-	LYS	A	3	L	-	ALA	V	11
R	-	LYS	A	3	L	-	VAL	V	57
R	-	LYS	A	3	L	-	HIS	V	9
R	-	SER	A	4	L	-	HIS	V	9
R	S	THR	A	48	L	-	ASN	V	5
R	-	ASP	A	51	L	-	ARG	V	7
R	S	GLU	A	52	L	H	LEU	V	181
R	S	GLU	A	52	L	-	ARG	V	7
R	S	VAL	A	53	L	-	ASN	V	5
R	S	VAL	A	53	L	-	ARG	V	7
R	S	VAL	A	53	L	-	HIS	V	9

- 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_Q969Q4.1 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	-	N	LYS	V	10
R	-	N	MET	A	1	L	-	CA	LYS	V	10
R	-	N	MET	A	1	L	-	CB	LYS	V	10
R	-	N	MET	A	1	L	-	CG	LYS	V	10
R	-	N	MET	A	1	L	-	CD	LYS	V	10
R	-	N	MET	A	1	L	-	H	LYS	V	10
R	-	N	MET	A	1	L	-	HB2	LYS	V	10
R	-	N	MET	A	1	L	-	HB3	LYS	V	10
R	-	N	MET	A	1	L	-	HD2	LYS	V	10
R	-	N	MET	A	1	L	-	HD3	LYS	V	10
R	-	CA	MET	A	1	L	-	HA	HIS	V	9
R	-	CA	MET	A	1	L	-	N	LYS	V	10
R	-	CA	MET	A	1	L	-	CB	LYS	V	10
R	-	CA	MET	A	1	L	-	H	LYS	V	10
R	-	CA	MET	A	1	L	-	HB2	LYS	V	10
R	-	CA	MET	A	1	L	-	HB3	LYS	V	10
R	-	C	MET	A	1	L	-	N	LYS	V	10
R	-	C	MET	A	1	L	-	CB	LYS	V	10
R	-	C	MET	A	1	L	-	O	LYS	V	10
R	-	C	MET	A	1	L	-	H	LYS	V	10
R	-	C	MET	A	1	L	-	HB2	LYS	V	10
R	-	C	MET	A	1	L	-	HB3	LYS	V	10
R	-	C	MET	A	1	L	-	HG23	VAL	V	57
R	-	CB	MET	A	1	L	-	O	GLY	V	8
R	-	CB	MET	A	1	L	-	CA	HIS	V	9
R	-	CB	MET	A	1	L	-	C	HIS	V	9
R	-	CB	MET	A	1	L	-	HA	HIS	V	9
R	-	CB	MET	A	1	L	-	N	LYS	V	10
R	-	CB	MET	A	1	L	-	CB	LYS	V	10
R	-	CB	MET	A	1	L	-	H	LYS	V	10
R	-	CB	MET	A	1	L	-	HB2	LYS	V	10
R	-	CB	MET	A	1	L	-	HB3	LYS	V	10
R	-	O	MET	A	1	L	-	C	HIS	V	9
R	-	O	MET	A	1	L	-	HA	HIS	V	9
R	-	O	MET	A	1	L	-	N	LYS	V	10
R	-	O	MET	A	1	L	-	CA	LYS	V	10
R	-	O	MET	A	1	L	-	C	LYS	V	10
R	-	O	MET	A	1	L	-	CB	LYS	V	10
R	-	O	MET	A	1	L	-	O	LYS	V	10
R	-	O	MET	A	1	L	-	H	LYS	V	10
R	-	O	MET	A	1	L	-	HB2	LYS	V	10
R	-	O	MET	A	1	L	-	HB3	LYS	V	10
R	-	O	MET	A	1	L	-	HG23	VAL	V	57
R	-	CG	MET	A	1	L	-	O	GLY	V	8
R	-	CG	MET	A	1	L	-	HA	HIS	V	9
R	-	CG	MET	A	1	L	-	H	LYS	V	10
R	-	CG	MET	A	1	L	-	HB2	LYS	V	10
R	-	SD	MET	A	1	L	-	HB3	ARG	V	7
R	-	SD	MET	A	1	L	-	C	GLY	V	8
R	-	SD	MET	A	1	L	-	O	GLY	V	8
R	-	SD	MET	A	1	L	-	HA	HIS	V	9
R	-	SD	MET	A	1	L	-	H	LYS	V	10
R	-	CE	MET	A	1	L	-	HB3	ARG	V	7
R	-	N	ALA	A	2	L	H	HG	SER	V	177
R	-	CA	ALA	A	2	L	-	HB	VAL	V	57
R	-	CA	ALA	A	2	L	-	HG12	VAL	V	57
R	-	CA	ALA	A	2	L	-	HG23	VAL	V	57
R	-	C	ALA	A	2	L	-	ND1	HIS	V	9
R	-	C	ALA	A	2	L	-	HB	VAL	V	57
R	-	C	ALA	A	2	L	-	HG23	VAL	V	57
R	-	CB	ALA	A	2	L	-	HG12	VAL	V	57
R	-	CB	ALA	A	2	L	H	O	LEU	V	173
R	-	CB	ALA	A	2	L	H	HB3	LEU	V	173
R	-	CB	ALA	A	2	L	H	HA	LYS	V	174
R	-	CB	ALA	A	2	L	H	HG2	LYS	V	174
R	-	CB	ALA	A	2	L	H	HG3	LYS	V	174
R	-	CB	ALA	A	2	L	H	HG	SER	V	177
R	-	O	ALA	A	2	L	-	ND1	HIS	V	9
R	-	O	ALA	A	2	L	-	CE1	HIS	V	9
R	-	O	ALA	A	2	L	-	HE1	HIS	V	9
R	-	O	ALA	A	2	L	H	HG	SER	V	177
R	-	N	LYS	A	3	L	-	ND1	HIS	V	9
R	-	N	LYS	A	3	L	-	HB3	HIS	V	9
R	-	N	LYS	A	3	L	-	CB	VAL	V	57
R	-	N	LYS	A	3	L	-	CG2	VAL	V	57
R	-	N	LYS	A	3	L	-	HB	VAL	V	57
R	-	N	LYS	A	3	L	-	HG21	VAL	V	57
R	-	N	LYS	A	3	L	-	HG23	VAL	V	57
R	-	CA	LYS	A	3	L	-	CB	HIS	V	9
R	-	CA	LYS	A	3	L	-	CG	HIS	V	9
R	-	CA	LYS	A	3	L	-	ND1	HIS	V	9
R	-	CA	LYS	A	3	L	-	HB3	HIS	V	9
R	-	CA	LYS	A	3	L	-	HB	VAL	V	57
R	-	C	LYS	A	3	L	-	ND1	HIS	V	9
R	-	C	LYS	A	3	L	-	CE1	HIS	V	9
R	-	C	LYS	A	3	L	-	HB3	HIS	V	9
R	-	C	LYS	A	3	L	-	HE1	HIS	V	9
R	-	CB	LYS	A	3	L	-	HB3	HIS	V	9
R	-	CB	LYS	A	3	L	-	HB	VAL	V	57
R	-	CB	LYS	A	3	L	-	HG21	VAL	V	57
R	-	CG	LYS	A	3	L	-	CB	HIS	V	9
R	-	CG	LYS	A	3	L	-	HB2	HIS	V	9
R	-	CG	LYS	A	3	L	-	HB3	HIS	V	9
R	-	CG	LYS	A	3	L	-	HA	ALA	V	11
R	-	CD	LYS	A	3	L	-	HA	ALA	V	11
R	-	N	SER	A	4	L	-	CG	HIS	V	9
R	-	N	SER	A	4	L	-	ND1	HIS	V	9
R	-	N	SER	A	4	L	-	CE1	HIS	V	9
R	-	N	SER	A	4	L	-	NE2	HIS	V	9
R	-	N	SER	A	4	L	-	HE1	HIS	V	9
R	-	CA	SER	A	4	L	-	ND1	HIS	V	9
R	-	CA	SER	A	4	L	-	CE1	HIS	V	9
R	-	CA	SER	A	4	L	-	NE2	HIS	V	9
R	-	CA	SER	A	4	L	-	HE1	HIS	V	9
R	-	CB	SER	A	4	L	-	ND1	HIS	V	9
R	-	CB	SER	A	4	L	-	CE1	HIS	V	9
R	-	CB	SER	A	4	L	-	NE2	HIS	V	9
R	-	CB	SER	A	4	L	-	HE1	HIS	V	9
R	-	CB	SER	A	4	L	-	HE2	HIS	V	9
R	-	OG	SER	A	4	L	-	CE1	HIS	V	9
R	-	OG	SER	A	4	L	-	HE1	HIS	V	9
R	S	CB	THR	A	48	L	-	HD21	ASN	V	5
R	S	CG2	THR	A	48	L	-	HD21	ASN	V	5
R	S	OG1	THR	A	48	L	-	ND2	ASN	V	5
R	S	OG1	THR	A	48	L	-	HB2	ASN	V	5
R	S	OG1	THR	A	48	L	-	HD21	ASN	V	5
R	-	CA	ASP	A	51	L	-	HH22	ARG	V	7
R	-	C	ASP	A	51	L	-	NH1	ARG	V	7
R	-	C	ASP	A	51	L	-	NH2	ARG	V	7
R	-	C	ASP	A	51	L	-	CZ	ARG	V	7
R	-	C	ASP	A	51	L	-	HH11	ARG	V	7
R	-	C	ASP	A	51	L	-	HH12	ARG	V	7
R	-	C	ASP	A	51	L	-	HH22	ARG	V	7
R	-	CB	ASP	A	51	L	-	HH22	ARG	V	7
R	-	O	ASP	A	51	L	-	NE	ARG	V	7
R	-	O	ASP	A	51	L	-	NH1	ARG	V	7
R	-	O	ASP	A	51	L	-	NH2	ARG	V	7
R	-	O	ASP	A	51	L	-	CZ	ARG	V	7
R	-	O	ASP	A	51	L	-	HH11	ARG	V	7
R	-	O	ASP	A	51	L	-	HH12	ARG	V	7
R	-	O	ASP	A	51	L	-	HH21	ARG	V	7
R	-	O	ASP	A	51	L	-	HH22	ARG	V	7
R	S	N	GLU	A	52	L	-	NH1	ARG	V	7
R	S	N	GLU	A	52	L	-	HH11	ARG	V	7
R	S	N	GLU	A	52	L	-	HH12	ARG	V	7
R	S	N	GLU	A	52	L	-	HH22	ARG	V	7
R	S	CA	GLU	A	52	L	-	NH1	ARG	V	7
R	S	CA	GLU	A	52	L	-	CZ	ARG	V	7
R	S	CA	GLU	A	52	L	-	HH11	ARG	V	7
R	S	CA	GLU	A	52	L	-	HH12	ARG	V	7
R	S	C	GLU	A	52	L	-	NH1	ARG	V	7
R	S	C	GLU	A	52	L	-	HH11	ARG	V	7
R	S	C	GLU	A	52	L	-	HH12	ARG	V	7
R	S	CB	GLU	A	52	L	-	NH1	ARG	V	7
R	S	CB	GLU	A	52	L	-	HH11	ARG	V	7
R	S	CB	GLU	A	52	L	-	HH12	ARG	V	7
R	S	CG	GLU	A	52	L	-	NH1	ARG	V	7
R	S	CG	GLU	A	52	L	-	HH11	ARG	V	7
R	S	CG	GLU	A	52	L	-	HH12	ARG	V	7
R	S	CD	GLU	A	52	L	-	HH12	ARG	V	7
R	S	OE1	GLU	A	52	L	H	HD12	LEU	V	181
R	S	N	VAL	A	53	L	-	NH1	ARG	V	7
R	S	N	VAL	A	53	L	-	HD2	ARG	V	7
R	S	N	VAL	A	53	L	-	HH11	ARG	V	7
R	S	C	VAL	A	53	L	-	HE2	HIS	V	9
R	S	CB	VAL	A	53	L	-	HB2	ARG	V	7
R	S	CB	VAL	A	53	L	-	HD2	ARG	V	7
R	S	O	VAL	A	53	L	-	NE2	HIS	V	9
R	S	O	VAL	A	53	L	-	HE2	HIS	V	9
R	S	CG2	VAL	A	53	L	-	O	ASN	V	5
R	S	CG2	VAL	A	53	L	-	HB3	ASN	V	5
R	S	CG2	VAL	A	53	L	-	H	ARG	V	7
R	S	CG2	VAL	A	53	L	-	HB2	ARG	V	7
R	S	CG2	VAL	A	53	L	-	HG3	ARG	V	7
R	S	CG2	VAL	A	53	L	-	HD2	ARG	V	7
R	H	NH2	ARG	A	178	L	H	CD	GLN	V	167
R	H	NH2	ARG	A	178	L	H	NE2	GLN	V	167
R	H	NH2	ARG	A	178	L	H	OE1	GLN	V	167
R	H	NH2	ARG	A	178	L	H	HE22	GLN	V	167
R	H	CG	ARG	A	179	L	H	HG	SER	V	171
R	H	CD	ARG	A	179	L	H	OG	SER	V	171
R	H	CD	ARG	A	179	L	H	HG	SER	V	171
R	H	NE	ARG	A	179	L	S	OE1	GLU	V	150
R	H	NE	ARG	A	179	L	H	CB	SER	V	171
R	H	NE	ARG	A	179	L	H	OG	SER	V	171
R	H	NE	ARG	A	179	L	H	HB2	SER	V	171
R	H	NE	ARG	A	179	L	H	HB3	SER	V	171
R	H	NE	ARG	A	179	L	H	HG	SER	V	171
R	H	NH1	ARG	A	179	L	H	CB	SER	V	171
R	H	NH1	ARG	A	179	L	H	OG	SER	V	171
R	H	NH1	ARG	A	179	L	H	HG	SER	V	171
R	H	NH2	ARG	A	179	L	S	CD	GLU	V	150
R	H	NH2	ARG	A	179	L	S	OE1	GLU	V	150
R	H	NH2	ARG	A	179	L	S	HG3	GLU	V	150
R	H	NH2	ARG	A	179	L	H	CB	SER	V	171
R	H	NH2	ARG	A	179	L	H	OG	SER	V	171
R	H	NH2	ARG	A	179	L	H	HB3	SER	V	171
R	H	NH2	ARG	A	179	L	H	HG	SER	V	171
R	H	NH2	ARG	A	179	L	H	HG	LEU	V	172
R	H	NH2	ARG	A	179	L	H	HD21	LEU	V	172
R	H	CZ	ARG	A	179	L	S	OE1	GLU	V	150
R	H	CZ	ARG	A	179	L	H	CB	SER	V	171
R	H	CZ	ARG	A	179	L	H	OG	SER	V	171
R	H	CZ	ARG	A	179	L	H	HB2	SER	V	171
R	H	CZ	ARG	A	179	L	H	HB3	SER	V	171
R	H	CZ	ARG	A	179	L	H	HG	SER	V	171
R	H	CA	SER	A	182	L	S	HH12	ARG	V	152
R	H	C	SER	A	182	L	S	HH12	ARG	V	152
R	H	CB	SER	A	182	L	S	HH12	ARG	V	152
R	H	CB	SER	A	182	L	S	HH22	ARG	V	152
R	H	O	SER	A	182	L	S	HH12	ARG	V	152
R	H	OG	SER	A	182	L	S	NH2	ARG	V	152
R	H	OG	SER	A	182	L	S	HH12	ARG	V	152
R	H	OG	SER	A	182	L	S	HH22	ARG	V	152
R	H	CG1	VAL	A	186	L	H	HD11	LEU	V	132
R	H	CG2	VAL	A	186	L	S	NH1	ARG	V	152
R	H	CG2	VAL	A	186	L	S	HH11	ARG	V	152
R	H	CG2	VAL	A	186	L	S	HH12	ARG	V	152
R	H	CG1	ILE	A	190	L	H	HB2	LEU	V	132
R	H	CG2	ILE	A	190	L	H	HB2	LEU	V	133
R	H	CD1	ILE	A	190	L	H	HB2	LEU	V	132
R	H	CD1	ILE	A	190	L	H	HD11	LEU	V	132
R	H	SD	MET	A	193	L	-	HA	PRO	V	131
R	H	SD	MET	A	193	L	-	HB3	PRO	V	131
R	H	SD	MET	A	193	L	-	HG3	PRO	V	131
R	H	CE	MET	A	193	L	-	HG3	PRO	V	131
R	H	CD1	LEU	A	194	L	H	HD21	LEU	V	133

- 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