IID

A4D2G3_A6NDL8.1 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	H	PHE	A	100	L	H	ALA	V	71
R	H	PHE	A	101	L	H	LEU	V	102
R	H	PHE	A	101	L	H	CYS	V	74
R	H	PHE	A	101	L	H	SER	V	75
R	H	LYS	A	140	L	H	LEU	V	153
R	H	LYS	A	140	L	H	LEU	V	156
R	H	ILE	A	144	L	H	ILE	V	149
R	H	ILE	A	144	L	H	VAL	V	152
R	H	ILE	A	144	L	H	LEU	V	153
R	H	MET	A	148	L	H	LEU	V	145
R	H	MET	A	148	L	H	TRP	V	148
R	H	MET	A	148	L	H	HIS	V	64
R	H	MET	A	152	L	H	HIS	V	64
R	H	LEU	A	155	L	H	VAL	V	67
R	H	SER	A	159	L	H	LEU	V	45
R	H	LEU	A	160	L	H	LEU	V	50
R	H	PHE	A	162	L	H	LEU	V	38
R	H	PHE	A	162	L	H	GLY	V	42
R	H	PHE	A	162	L	H	ILE	V	70
R	H	HIS	A	163	L	H	GLY	V	42
R	H	HIS	A	163	L	H	THR	V	43
R	H	HIS	A	163	L	H	GLY	V	46
R	H	HIS	A	163	L	H	LEU	V	50
R	-	GLU	A	165	L	H	LYS	V	307
R	H	ARG	A	309	L	-	GLN	V	5
R	H	LEU	A	310	L	-	ASN	V	4
R	H	LEU	A	310	L	-	GLN	V	5
R	-	LYS	A	312	L	-	GLY	V	2
R	H	LEU	A	41	L	H	PHE	V	93
R	H	LEU	A	41	L	H	ALA	V	94
R	H	ILE	A	44	L	-	LEU	V	163
R	H	MET	A	48	L	H	VAL	V	160
R	H	MET	A	48	L	-	LEU	V	163
R	H	MET	A	48	L	-	PRO	V	164
R	H	LEU	A	49	L	-	PRO	V	164
R	H	PHE	A	59	L	H	LEU	V	156
R	H	GLN	A	62	L	-	LEU	V	163
R	H	PHE	A	66	L	H	PHE	V	101
R	H	PHE	A	66	L	H	THR	V	98
R	H	ILE	A	69	L	H	ALA	V	94
R	H	SER	A	70	L	H	THR	V	98
R	H	TYR	A	81	L	-	HIS	V	86
R	H	ASN	A	93	L	H	TYR	V	34
R	H	ASN	A	93	L	H	ILE	V	35
R	H	ASN	A	93	L	H	LEU	V	38
R	H	ALA	A	94	L	H	TYR	V	34
R	H	ILE	A	97	L	H	TYR	V	34
R	H	ILE	A	97	L	H	LEU	V	38
R	H	ILE	A	97	L	H	CYS	V	74
R	H	ILE	A	97	L	H	PRO	V	78

- 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

A4D2G3_A6NDL8.1 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	H	CG	LEU	A	41	L	H	HB3	ALA	V	94
R	H	CD1	LEU	A	41	L	H	HB3	ALA	V	94
R	H	CD2	LEU	A	41	L	H	HD1	PHE	V	93
R	H	CD2	LEU	A	41	L	H	CB	ALA	V	94
R	H	CD2	LEU	A	41	L	H	HB1	ALA	V	94
R	H	CD2	LEU	A	41	L	H	HB3	ALA	V	94
R	H	CG2	ILE	A	44	L	-	HD12	LEU	V	163
R	H	CG2	ILE	A	44	L	-	HD23	LEU	V	163
R	H	CB	MET	A	48	L	-	HG3	PRO	V	164
R	H	CG	MET	A	48	L	-	HB2	LEU	V	163
R	H	CG	MET	A	48	L	-	HB3	LEU	V	163
R	H	CG	MET	A	48	L	-	HD11	LEU	V	163
R	H	CG	MET	A	48	L	-	HD12	LEU	V	163
R	H	SD	MET	A	48	L	H	HA	VAL	V	160
R	H	SD	MET	A	48	L	H	HG12	VAL	V	160
R	H	SD	MET	A	48	L	H	HG22	VAL	V	160
R	H	SD	MET	A	48	L	-	HD11	LEU	V	163
R	H	CE	MET	A	48	L	H	HG12	VAL	V	160
R	H	CE	MET	A	48	L	H	HG22	VAL	V	160
R	H	CD2	LEU	A	49	L	-	CB	PRO	V	164
R	H	CD2	LEU	A	49	L	-	HA	PRO	V	164
R	H	CD2	LEU	A	49	L	-	HB3	PRO	V	164
R	H	CE2	PHE	A	59	L	H	HD23	LEU	V	156
R	H	CZ	PHE	A	59	L	H	HD23	LEU	V	156
R	H	NE2	GLN	A	62	L	-	CD1	LEU	V	163
R	H	NE2	GLN	A	62	L	-	HD11	LEU	V	163
R	H	NE2	GLN	A	62	L	-	HD12	LEU	V	163
R	H	CD2	PHE	A	66	L	H	OG1	THR	V	98
R	H	CD2	PHE	A	66	L	H	HG1	THR	V	98
R	H	CE1	PHE	A	66	L	H	CG2	THR	V	98
R	H	CE1	PHE	A	66	L	H	HG22	THR	V	98
R	H	CE1	PHE	A	66	L	H	HD1	PHE	V	101
R	H	CE2	PHE	A	66	L	H	N	THR	V	98
R	H	CE2	PHE	A	66	L	H	CA	THR	V	98
R	H	CE2	PHE	A	66	L	H	CB	THR	V	98
R	H	CE2	PHE	A	66	L	H	CG2	THR	V	98
R	H	CE2	PHE	A	66	L	H	OG1	THR	V	98
R	H	CE2	PHE	A	66	L	H	HA	THR	V	98
R	H	CE2	PHE	A	66	L	H	HG1	THR	V	98
R	H	CE2	PHE	A	66	L	H	HG22	THR	V	98
R	H	CZ	PHE	A	66	L	H	CA	THR	V	98
R	H	CZ	PHE	A	66	L	H	CB	THR	V	98
R	H	CZ	PHE	A	66	L	H	CG2	THR	V	98
R	H	CZ	PHE	A	66	L	H	OG1	THR	V	98
R	H	CZ	PHE	A	66	L	H	HA	THR	V	98
R	H	CZ	PHE	A	66	L	H	HG1	THR	V	98
R	H	CZ	PHE	A	66	L	H	HG21	THR	V	98
R	H	CZ	PHE	A	66	L	H	HG22	THR	V	98
R	H	CZ	PHE	A	66	L	H	HG23	THR	V	98
R	H	CZ	PHE	A	66	L	H	HD1	PHE	V	101
R	H	CB	ILE	A	69	L	H	HB1	ALA	V	94
R	H	CG2	ILE	A	69	L	H	CB	ALA	V	94
R	H	CG2	ILE	A	69	L	H	HB1	ALA	V	94
R	H	CG2	ILE	A	69	L	H	HB2	ALA	V	94
R	H	CG2	ILE	A	69	L	H	HB3	ALA	V	94
R	H	CD1	ILE	A	69	L	H	HB1	ALA	V	94
R	H	CD1	ILE	A	69	L	H	HB3	ALA	V	94
R	H	CB	SER	A	70	L	H	HG21	THR	V	98
R	H	OG	SER	A	70	L	H	CG2	THR	V	98
R	H	OG	SER	A	70	L	H	OG1	THR	V	98
R	H	OG	SER	A	70	L	H	HG21	THR	V	98
R	H	OG	SER	A	70	L	H	HG22	THR	V	98
R	H	OH	TYR	A	81	L	-	HE2	HIS	V	86
R	H	CA	ASN	A	93	L	H	CE1	TYR	V	34
R	H	CA	ASN	A	93	L	H	HE1	TYR	V	34
R	H	CA	ASN	A	93	L	H	HD13	LEU	V	38
R	H	C	ASN	A	93	L	H	HE1	TYR	V	34
R	H	CB	ASN	A	93	L	H	CD1	TYR	V	34
R	H	CB	ASN	A	93	L	H	CE1	TYR	V	34
R	H	CB	ASN	A	93	L	H	HD1	TYR	V	34
R	H	CB	ASN	A	93	L	H	HE1	TYR	V	34
R	H	CB	ASN	A	93	L	H	CD1	LEU	V	38
R	H	CB	ASN	A	93	L	H	HD11	LEU	V	38
R	H	CB	ASN	A	93	L	H	HD13	LEU	V	38
R	H	O	ASN	A	93	L	H	OH	TYR	V	34
R	H	O	ASN	A	93	L	H	HE1	TYR	V	34
R	H	CG	ASN	A	93	L	H	CD1	TYR	V	34
R	H	CG	ASN	A	93	L	H	CE1	TYR	V	34
R	H	CG	ASN	A	93	L	H	HD1	TYR	V	34
R	H	CG	ASN	A	93	L	H	HE1	TYR	V	34
R	H	CG	ASN	A	93	L	H	CG1	ILE	V	35
R	H	CG	ASN	A	93	L	H	HA	ILE	V	35
R	H	CG	ASN	A	93	L	H	HG12	ILE	V	35
R	H	CG	ASN	A	93	L	H	HG13	ILE	V	35
R	H	CG	ASN	A	93	L	H	CD1	LEU	V	38
R	H	CG	ASN	A	93	L	H	HD11	LEU	V	38
R	H	CG	ASN	A	93	L	H	HD13	LEU	V	38
R	H	ND2	ASN	A	93	L	H	CD1	TYR	V	34
R	H	ND2	ASN	A	93	L	H	CE1	TYR	V	34
R	H	ND2	ASN	A	93	L	H	HD1	TYR	V	34
R	H	ND2	ASN	A	93	L	H	HE1	TYR	V	34
R	H	ND2	ASN	A	93	L	H	N	ILE	V	35
R	H	ND2	ASN	A	93	L	H	CA	ILE	V	35
R	H	ND2	ASN	A	93	L	H	CB	ILE	V	35
R	H	ND2	ASN	A	93	L	H	CG1	ILE	V	35
R	H	ND2	ASN	A	93	L	H	CD1	ILE	V	35
R	H	ND2	ASN	A	93	L	H	H	ILE	V	35
R	H	ND2	ASN	A	93	L	H	HA	ILE	V	35
R	H	ND2	ASN	A	93	L	H	HG12	ILE	V	35
R	H	ND2	ASN	A	93	L	H	HG13	ILE	V	35
R	H	ND2	ASN	A	93	L	H	HG22	ILE	V	35
R	H	ND2	ASN	A	93	L	H	HD11	ILE	V	35
R	H	ND2	ASN	A	93	L	H	HD13	ILE	V	35
R	H	ND2	ASN	A	93	L	H	HD13	LEU	V	38
R	H	OD1	ASN	A	93	L	H	CG1	ILE	V	35
R	H	OD1	ASN	A	93	L	H	HA	ILE	V	35
R	H	OD1	ASN	A	93	L	H	HG12	ILE	V	35
R	H	OD1	ASN	A	93	L	H	HG13	ILE	V	35
R	H	OD1	ASN	A	93	L	H	CD1	LEU	V	38
R	H	OD1	ASN	A	93	L	H	HD11	LEU	V	38
R	H	OD1	ASN	A	93	L	H	HD12	LEU	V	38
R	H	OD1	ASN	A	93	L	H	HD13	LEU	V	38
R	H	N	ALA	A	94	L	H	HE1	TYR	V	34
R	H	CB	ILE	A	97	L	H	OH	TYR	V	34
R	H	CB	ILE	A	97	L	H	HH	TYR	V	34
R	H	CB	ILE	A	97	L	H	HB3	CYS	V	74
R	H	CB	ILE	A	97	L	H	HG3	PRO	V	78
R	H	CG1	ILE	A	97	L	H	OH	TYR	V	34
R	H	CG1	ILE	A	97	L	H	CZ	TYR	V	34
R	H	CG1	ILE	A	97	L	H	HH	TYR	V	34
R	H	CG1	ILE	A	97	L	H	HD11	LEU	V	38
R	H	CG1	ILE	A	97	L	H	CB	CYS	V	74
R	H	CG1	ILE	A	97	L	H	SG	CYS	V	74
R	H	CG1	ILE	A	97	L	H	HA	CYS	V	74
R	H	CG1	ILE	A	97	L	H	HB3	CYS	V	74
R	H	CG1	ILE	A	97	L	H	HG2	PRO	V	78
R	H	CG1	ILE	A	97	L	H	HG3	PRO	V	78
R	H	CG2	ILE	A	97	L	H	HH	TYR	V	34
R	H	CG2	ILE	A	97	L	H	O	CYS	V	74
R	H	CG2	ILE	A	97	L	H	HA	CYS	V	74
R	H	CG2	ILE	A	97	L	H	HB3	CYS	V	74
R	H	CG2	ILE	A	97	L	H	HG3	PRO	V	78
R	H	CD1	ILE	A	97	L	H	CE1	TYR	V	34
R	H	CD1	ILE	A	97	L	H	CE2	TYR	V	34
R	H	CD1	ILE	A	97	L	H	OH	TYR	V	34
R	H	CD1	ILE	A	97	L	H	CZ	TYR	V	34
R	H	CD1	ILE	A	97	L	H	HE1	TYR	V	34
R	H	CD1	ILE	A	97	L	H	HE2	TYR	V	34
R	H	CD1	ILE	A	97	L	H	HH	TYR	V	34
R	H	CD1	ILE	A	97	L	H	HD11	LEU	V	38
R	H	CD1	ILE	A	97	L	H	CA	CYS	V	74
R	H	CD1	ILE	A	97	L	H	SG	CYS	V	74
R	H	CD1	ILE	A	97	L	H	HA	CYS	V	74
R	H	CD1	ILE	A	97	L	H	CG	PRO	V	78
R	H	CD1	ILE	A	97	L	H	HG2	PRO	V	78
R	H	CD1	ILE	A	97	L	H	HG3	PRO	V	78
R	H	CD1	ILE	A	97	L	H	HD3	PRO	V	78
R	H	CE1	PHE	A	100	L	H	HA	ALA	V	71
R	H	CE1	PHE	A	100	L	H	HB3	ALA	V	71
R	H	CZ	PHE	A	100	L	H	HB3	ALA	V	71
R	H	CD2	PHE	A	101	L	H	HB3	CYS	V	74
R	H	CE1	PHE	A	101	L	H	HD12	LEU	V	102
R	H	CE1	PHE	A	101	L	H	HD13	LEU	V	102
R	H	CE2	PHE	A	101	L	H	C	CYS	V	74
R	H	CE2	PHE	A	101	L	H	CB	CYS	V	74
R	H	CE2	PHE	A	101	L	H	O	CYS	V	74
R	H	CE2	PHE	A	101	L	H	HB2	CYS	V	74
R	H	CE2	PHE	A	101	L	H	HB3	CYS	V	74
R	H	CE2	PHE	A	101	L	H	HA	SER	V	75
R	H	CZ	PHE	A	101	L	H	CB	CYS	V	74
R	H	CZ	PHE	A	101	L	H	HB2	CYS	V	74
R	H	CZ	PHE	A	101	L	H	HB3	CYS	V	74
R	H	CZ	PHE	A	101	L	H	N	SER	V	75
R	H	CZ	PHE	A	101	L	H	HA	SER	V	75
R	H	CZ	PHE	A	101	L	H	HB2	SER	V	75
R	H	CZ	PHE	A	101	L	H	HD12	LEU	V	102
R	H	CB	LYS	A	140	L	H	CD2	LEU	V	153
R	H	CB	LYS	A	140	L	H	HD22	LEU	V	153
R	H	CG	LYS	A	140	L	H	HD22	LEU	V	153
R	H	CG	LYS	A	140	L	H	HD23	LEU	V	153
R	H	CD	LYS	A	140	L	H	CD2	LEU	V	153
R	H	CD	LYS	A	140	L	H	HD21	LEU	V	153
R	H	CD	LYS	A	140	L	H	HD22	LEU	V	153
R	H	CD	LYS	A	140	L	H	HD23	LEU	V	153
R	H	CD	LYS	A	140	L	H	HD21	LEU	V	156
R	H	CE	LYS	A	140	L	H	HD23	LEU	V	153
R	H	CE	LYS	A	140	L	H	HD21	LEU	V	156
R	H	NZ	LYS	A	140	L	H	HD23	LEU	V	153
R	H	CB	ILE	A	144	L	H	HG12	ILE	V	149
R	H	CG1	ILE	A	144	L	H	HA	ILE	V	149
R	H	CG1	ILE	A	144	L	H	HG12	ILE	V	149
R	H	CG1	ILE	A	144	L	H	HG23	ILE	V	149
R	H	CG1	ILE	A	144	L	H	HB	VAL	V	152
R	H	CG1	ILE	A	144	L	H	HG13	VAL	V	152
R	H	CG2	ILE	A	144	L	H	CG1	ILE	V	149
R	H	CG2	ILE	A	144	L	H	HA	ILE	V	149
R	H	CG2	ILE	A	144	L	H	HG12	ILE	V	149
R	H	CG2	ILE	A	144	L	H	HG13	ILE	V	149
R	H	CG2	ILE	A	144	L	H	HD11	ILE	V	149
R	H	CD1	ILE	A	144	L	H	CA	ILE	V	149
R	H	CD1	ILE	A	144	L	H	CB	ILE	V	149
R	H	CD1	ILE	A	144	L	H	O	ILE	V	149
R	H	CD1	ILE	A	144	L	H	CG1	ILE	V	149
R	H	CD1	ILE	A	144	L	H	CG2	ILE	V	149
R	H	CD1	ILE	A	144	L	H	HA	ILE	V	149
R	H	CD1	ILE	A	144	L	H	HG12	ILE	V	149
R	H	CD1	ILE	A	144	L	H	HG21	ILE	V	149
R	H	CD1	ILE	A	144	L	H	HG22	ILE	V	149
R	H	CD1	ILE	A	144	L	H	HG23	ILE	V	149
R	H	CD1	ILE	A	144	L	H	HB	VAL	V	152
R	H	CD1	ILE	A	144	L	H	CG	LEU	V	153
R	H	CD1	ILE	A	144	L	H	HG	LEU	V	153
R	H	CD1	ILE	A	144	L	H	HD12	LEU	V	153
R	H	CD1	ILE	A	144	L	H	HD22	LEU	V	153
R	H	SD	MET	A	148	L	H	CB	TRP	V	148
R	H	SD	MET	A	148	L	H	CG	TRP	V	148
R	H	SD	MET	A	148	L	H	CD2	TRP	V	148
R	H	SD	MET	A	148	L	H	CE3	TRP	V	148
R	H	SD	MET	A	148	L	H	HB2	TRP	V	148
R	H	SD	MET	A	148	L	H	HE3	TRP	V	148
R	H	CE	MET	A	148	L	H	HE1	HIS	V	64
R	H	CE	MET	A	148	L	H	HD21	LEU	V	145
R	H	CE	MET	A	148	L	H	CG	TRP	V	148
R	H	CE	MET	A	152	L	H	CE1	HIS	V	64
R	H	CE	MET	A	152	L	H	HE1	HIS	V	64
R	H	CG	LEU	A	155	L	H	HG22	VAL	V	67
R	H	CG	LEU	A	155	L	H	HG23	VAL	V	67
R	H	CD1	LEU	A	155	L	H	CG1	VAL	V	67
R	H	CD1	LEU	A	155	L	H	CG2	VAL	V	67
R	H	CD1	LEU	A	155	L	H	HG12	VAL	V	67
R	H	CD1	LEU	A	155	L	H	HG13	VAL	V	67
R	H	CD1	LEU	A	155	L	H	HG22	VAL	V	67
R	H	CD1	LEU	A	155	L	H	HG23	VAL	V	67
R	H	CD2	LEU	A	155	L	H	CG2	VAL	V	67
R	H	CD2	LEU	A	155	L	H	HG12	VAL	V	67
R	H	CD2	LEU	A	155	L	H	HG22	VAL	V	67
R	H	CD2	LEU	A	155	L	H	HG23	VAL	V	67
R	H	CB	SER	A	159	L	H	HB3	LEU	V	45
R	H	CD2	LEU	A	160	L	H	HD23	LEU	V	50
R	H	CG	PHE	A	162	L	H	HA2	GLY	V	42
R	H	CD2	PHE	A	162	L	H	HA2	GLY	V	42
R	H	CE1	PHE	A	162	L	H	HB3	LEU	V	38
R	H	CE2	PHE	A	162	L	H	HD13	ILE	V	70
R	H	CZ	PHE	A	162	L	H	HB3	LEU	V	38
R	H	CZ	PHE	A	162	L	H	HD22	LEU	V	38
R	H	CD2	HIS	A	163	L	H	HA3	GLY	V	46
R	H	CD2	HIS	A	163	L	H	HD11	LEU	V	50
R	H	CE1	HIS	A	163	L	H	HA	THR	V	43
R	H	CE1	HIS	A	163	L	H	HA3	GLY	V	46
R	H	NE2	HIS	A	163	L	H	O	GLY	V	42
R	H	NE2	HIS	A	163	L	H	HA	THR	V	43
R	H	NE2	HIS	A	163	L	H	N	GLY	V	46
R	H	NE2	HIS	A	163	L	H	CA	GLY	V	46
R	H	NE2	HIS	A	163	L	H	H	GLY	V	46
R	H	NE2	HIS	A	163	L	H	HA2	GLY	V	46
R	H	NE2	HIS	A	163	L	H	HA3	GLY	V	46
R	-	CG	GLU	A	165	L	H	HZ1	LYS	V	307
R	-	CD	GLU	A	165	L	H	NZ	LYS	V	307
R	-	CD	GLU	A	165	L	H	HZ1	LYS	V	307
R	-	CD	GLU	A	165	L	H	HZ3	LYS	V	307
R	-	OE1	GLU	A	165	L	H	NZ	LYS	V	307
R	-	OE1	GLU	A	165	L	H	HZ1	LYS	V	307
R	-	OE1	GLU	A	165	L	H	HZ2	LYS	V	307
R	-	OE1	GLU	A	165	L	H	HZ3	LYS	V	307
R	-	OE2	GLU	A	165	L	H	HZ1	LYS	V	307
R	H	CD	ARG	A	309	L	-	NE2	GLN	V	5
R	H	CD	ARG	A	309	L	-	HE22	GLN	V	5
R	H	NE	ARG	A	309	L	-	HE22	GLN	V	5
R	H	NH1	ARG	A	309	L	-	NE2	GLN	V	5
R	H	NH1	ARG	A	309	L	-	HE21	GLN	V	5
R	H	NH1	ARG	A	309	L	-	HE22	GLN	V	5
R	H	CZ	ARG	A	309	L	-	NE2	GLN	V	5
R	H	CZ	ARG	A	309	L	-	HE22	GLN	V	5
R	H	CD2	LEU	A	310	L	-	OD1	ASN	V	4
R	H	CD2	LEU	A	310	L	-	HA	ASN	V	4
R	H	CD2	LEU	A	310	L	-	H	GLN	V	5
R	-	OXT	LYS	A	312	L	-	HA3	GLY	V	2

- 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