IID

A6NND4_Q8NGB4.1 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	TYR	A	128	L	H	ALA	V	81
R	H	TYR	A	128	L	-	PHE	V	84
R	-	HIS	A	133	L	-	PHE	V	84
R	-	LEU	A	160	L	H	PHE	V	66
R	H	ARG	A	167	L	H	CYS	V	136
R	H	ARG	A	167	L	H	ARG	V	137
R	H	ARG	A	167	L	H	GLY	V	140
R	-	ASP	A	196	L	H	ARG	V	137
R	H	PRO	A	199	L	H	LEU	V	141
R	H	LEU	A	202	L	H	GLY	V	144
R	H	LEU	A	202	L	H	ALA	V	145
R	H	LEU	A	202	L	H	LEU	V	148
R	H	PHE	A	205	L	H	LEU	V	148
R	H	PHE	A	205	L	H	PHE	V	151
R	H	CYS	A	206	L	H	PHE	V	104
R	H	CYS	A	206	L	H	TRP	V	147
R	H	CYS	A	206	L	H	LEU	V	148
R	H	MET	A	209	L	H	PHE	V	104
R	H	MET	A	209	L	H	PHE	V	151
R	H	VAL	A	210	L	H	PHE	V	104
R	H	VAL	A	210	L	H	PHE	V	105
R	H	VAL	A	210	L	H	TRP	V	147
R	H	VAL	A	210	L	H	PHE	V	66
R	H	PHE	A	213	L	H	PHE	V	100
R	H	PHE	A	213	L	H	SER	V	101
R	H	PHE	A	213	L	H	THR	V	97
R	H	LEU	A	214	L	H	PHE	V	105
R	H	LEU	A	214	L	H	CYS	V	70
R	H	LEU	A	214	L	H	SER	V	73
R	H	LEU	A	214	L	H	THR	V	74
R	H	LEU	A	216	L	H	THR	V	97
R	H	LEU	A	217	L	H	SER	V	101
R	H	LEU	A	217	L	H	THR	V	74
R	H	LEU	A	217	L	H	GLY	V	94
R	H	LEU	A	217	L	H	THR	V	97
R	H	LEU	A	217	L	H	GLN	V	98
R	H	LEU	A	218	L	H	SER	V	73
R	H	LEU	A	218	L	H	PRO	V	77
R	H	LEU	A	220	L	S	SER	V	91
R	H	LEU	A	220	L	H	ASN	V	93
R	H	LEU	A	220	L	H	GLY	V	94
R	H	LEU	A	220	L	H	THR	V	97
R	H	LEU	A	221	L	H	THR	V	74
R	H	LEU	A	221	L	H	LYS	V	78
R	H	LEU	A	221	L	S	ILE	V	90
R	H	LEU	A	221	L	H	GLN	V	98
R	H	VAL	A	224	L	H	LYS	V	78
R	H	VAL	A	224	L	S	ILE	V	89
R	H	VAL	A	224	L	S	ILE	V	90
R	H	VAL	A	224	L	S	SER	V	91
R	H	HIS	A	225	L	H	LYS	V	78
R	H	HIS	A	225	L	H	ALA	V	81
R	H	HIS	A	225	L	H	ASP	V	82
R	H	HIS	A	225	L	-	VAL	V	85
R	H	ALA	A	228	L	-	HIS	V	87
R	H	ALA	A	228	L	S	ILE	V	89
R	H	ARG	A	232	L	-	VAL	V	85
R	H	ARG	A	232	L	-	GLU	V	86
R	H	ARG	A	232	L	-	HIS	V	87
R	H	TYR	A	264	L	H	PHE	V	151

- 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

A6NND4_Q8NGB4.1 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	CE2	TYR	A	128	L	H	HB1	ALA	V	81
R	H	CE2	TYR	A	128	L	H	HB2	ALA	V	81
R	H	OH	TYR	A	128	L	H	CA	ALA	V	81
R	H	OH	TYR	A	128	L	H	CB	ALA	V	81
R	H	OH	TYR	A	128	L	H	HA	ALA	V	81
R	H	OH	TYR	A	128	L	H	HB1	ALA	V	81
R	H	OH	TYR	A	128	L	H	HB2	ALA	V	81
R	H	OH	TYR	A	128	L	-	HD2	PHE	V	84
R	H	CZ	TYR	A	128	L	H	CB	ALA	V	81
R	H	CZ	TYR	A	128	L	H	HB1	ALA	V	81
R	H	CZ	TYR	A	128	L	H	HB2	ALA	V	81
R	-	CE1	HIS	A	133	L	-	CB	PHE	V	84
R	-	CE1	HIS	A	133	L	-	CG	PHE	V	84
R	-	CE1	HIS	A	133	L	-	CD1	PHE	V	84
R	-	CE1	HIS	A	133	L	-	CD2	PHE	V	84
R	-	CE1	HIS	A	133	L	-	HB2	PHE	V	84
R	-	CE1	HIS	A	133	L	-	HB3	PHE	V	84
R	-	CD1	LEU	A	160	L	H	HE2	PHE	V	66
R	H	NH1	ARG	A	167	L	H	CB	CYS	V	136
R	H	NH1	ARG	A	167	L	H	O	CYS	V	136
R	H	NH1	ARG	A	167	L	H	SG	CYS	V	136
R	H	NH1	ARG	A	167	L	H	HB3	CYS	V	136
R	H	NH1	ARG	A	167	L	H	HG	CYS	V	136
R	H	NH1	ARG	A	167	L	H	HA	ARG	V	137
R	H	NH2	ARG	A	167	L	H	C	CYS	V	136
R	H	NH2	ARG	A	167	L	H	O	CYS	V	136
R	H	NH2	ARG	A	167	L	H	SG	CYS	V	136
R	H	NH2	ARG	A	167	L	H	CA	ARG	V	137
R	H	NH2	ARG	A	167	L	H	HA	ARG	V	137
R	H	NH2	ARG	A	167	L	H	N	GLY	V	140
R	H	NH2	ARG	A	167	L	H	CA	GLY	V	140
R	H	NH2	ARG	A	167	L	H	H	GLY	V	140
R	H	NH2	ARG	A	167	L	H	HA2	GLY	V	140
R	H	NH2	ARG	A	167	L	H	HA3	GLY	V	140
R	H	CZ	ARG	A	167	L	H	O	CYS	V	136
R	H	CZ	ARG	A	167	L	H	SG	CYS	V	136
R	H	CZ	ARG	A	167	L	H	HG	CYS	V	136
R	H	CZ	ARG	A	167	L	H	HA	ARG	V	137
R	H	CZ	ARG	A	167	L	H	HA3	GLY	V	140
R	-	CB	ASP	A	196	L	H	NH2	ARG	V	137
R	-	CB	ASP	A	196	L	H	HH21	ARG	V	137
R	-	CB	ASP	A	196	L	H	HH22	ARG	V	137
R	-	CG	ASP	A	196	L	H	HH21	ARG	V	137
R	-	OD2	ASP	A	196	L	H	HH21	ARG	V	137
R	H	CB	PRO	A	199	L	H	HA	LEU	V	141
R	H	CB	PRO	A	199	L	H	HD12	LEU	V	141
R	H	CB	LEU	A	202	L	H	HA3	GLY	V	144
R	H	CB	LEU	A	202	L	H	HB2	LEU	V	148
R	H	CB	LEU	A	202	L	H	HD23	LEU	V	148
R	H	CG	LEU	A	202	L	H	CA	GLY	V	144
R	H	CG	LEU	A	202	L	H	C	GLY	V	144
R	H	CG	LEU	A	202	L	H	O	GLY	V	144
R	H	CG	LEU	A	202	L	H	HA2	GLY	V	144
R	H	CG	LEU	A	202	L	H	HA3	GLY	V	144
R	H	CG	LEU	A	202	L	H	CB	LEU	V	148
R	H	CG	LEU	A	202	L	H	H	LEU	V	148
R	H	CG	LEU	A	202	L	H	HB2	LEU	V	148
R	H	CG	LEU	A	202	L	H	HB3	LEU	V	148
R	H	CG	LEU	A	202	L	H	HD23	LEU	V	148
R	H	CD1	LEU	A	202	L	H	O	GLY	V	144
R	H	CD1	LEU	A	202	L	H	N	LEU	V	148
R	H	CD1	LEU	A	202	L	H	CA	LEU	V	148
R	H	CD1	LEU	A	202	L	H	CB	LEU	V	148
R	H	CD1	LEU	A	202	L	H	CG	LEU	V	148
R	H	CD1	LEU	A	202	L	H	CD1	LEU	V	148
R	H	CD1	LEU	A	202	L	H	CD2	LEU	V	148
R	H	CD1	LEU	A	202	L	H	H	LEU	V	148
R	H	CD1	LEU	A	202	L	H	HA	LEU	V	148
R	H	CD1	LEU	A	202	L	H	HB2	LEU	V	148
R	H	CD1	LEU	A	202	L	H	HB3	LEU	V	148
R	H	CD1	LEU	A	202	L	H	HD11	LEU	V	148
R	H	CD1	LEU	A	202	L	H	HD13	LEU	V	148
R	H	CD1	LEU	A	202	L	H	HD21	LEU	V	148
R	H	CD1	LEU	A	202	L	H	HD23	LEU	V	148
R	H	CD2	LEU	A	202	L	H	CA	GLY	V	144
R	H	CD2	LEU	A	202	L	H	C	GLY	V	144
R	H	CD2	LEU	A	202	L	H	O	GLY	V	144
R	H	CD2	LEU	A	202	L	H	HA2	GLY	V	144
R	H	CD2	LEU	A	202	L	H	HA3	GLY	V	144
R	H	CD2	LEU	A	202	L	H	N	ALA	V	145
R	H	CD2	LEU	A	202	L	H	CA	ALA	V	145
R	H	CD2	LEU	A	202	L	H	H	ALA	V	145
R	H	CD2	LEU	A	202	L	H	HA	ALA	V	145
R	H	CD2	LEU	A	202	L	H	CB	LEU	V	148
R	H	CD2	LEU	A	202	L	H	CD2	LEU	V	148
R	H	CD2	LEU	A	202	L	H	H	LEU	V	148
R	H	CD2	LEU	A	202	L	H	HB2	LEU	V	148
R	H	CD2	LEU	A	202	L	H	HB3	LEU	V	148
R	H	CD2	LEU	A	202	L	H	HD21	LEU	V	148
R	H	CD2	LEU	A	202	L	H	HD23	LEU	V	148
R	H	CD1	PHE	A	205	L	H	HD13	LEU	V	148
R	H	CE1	PHE	A	205	L	H	HD11	LEU	V	148
R	H	CE1	PHE	A	205	L	H	CG	PHE	V	151
R	H	CE1	PHE	A	205	L	H	CD1	PHE	V	151
R	H	CE1	PHE	A	205	L	H	CD2	PHE	V	151
R	H	CE1	PHE	A	205	L	H	CE1	PHE	V	151
R	H	CE1	PHE	A	205	L	H	CE2	PHE	V	151
R	H	CE1	PHE	A	205	L	H	CZ	PHE	V	151
R	H	CE1	PHE	A	205	L	H	HB2	PHE	V	151
R	H	CE1	PHE	A	205	L	H	HB3	PHE	V	151
R	H	CE1	PHE	A	205	L	H	HD1	PHE	V	151
R	H	CE1	PHE	A	205	L	H	HE1	PHE	V	151
R	H	CE2	PHE	A	205	L	H	CZ	PHE	V	151
R	H	CZ	PHE	A	205	L	H	CG	PHE	V	151
R	H	CZ	PHE	A	205	L	H	CD1	PHE	V	151
R	H	CZ	PHE	A	205	L	H	CD2	PHE	V	151
R	H	CZ	PHE	A	205	L	H	CE1	PHE	V	151
R	H	CZ	PHE	A	205	L	H	CE2	PHE	V	151
R	H	CZ	PHE	A	205	L	H	CZ	PHE	V	151
R	H	CZ	PHE	A	205	L	H	HE1	PHE	V	151
R	H	CZ	PHE	A	205	L	H	HE2	PHE	V	151
R	H	CZ	PHE	A	205	L	H	HZ	PHE	V	151
R	H	CA	CYS	A	206	L	H	HZ	PHE	V	104
R	H	CA	CYS	A	206	L	H	HB3	TRP	V	147
R	H	C	CYS	A	206	L	H	HZ	PHE	V	104
R	H	CB	CYS	A	206	L	H	HZ	PHE	V	104
R	H	CB	CYS	A	206	L	H	CB	TRP	V	147
R	H	CB	CYS	A	206	L	H	CG	TRP	V	147
R	H	CB	CYS	A	206	L	H	CD2	TRP	V	147
R	H	CB	CYS	A	206	L	H	HB2	TRP	V	147
R	H	CB	CYS	A	206	L	H	HB3	TRP	V	147
R	H	CB	CYS	A	206	L	H	HE3	TRP	V	147
R	H	O	CYS	A	206	L	H	HE1	PHE	V	104
R	H	O	CYS	A	206	L	H	HZ	PHE	V	104
R	H	SG	CYS	A	206	L	H	CA	TRP	V	147
R	H	SG	CYS	A	206	L	H	C	TRP	V	147
R	H	SG	CYS	A	206	L	H	CB	TRP	V	147
R	H	SG	CYS	A	206	L	H	O	TRP	V	147
R	H	SG	CYS	A	206	L	H	CG	TRP	V	147
R	H	SG	CYS	A	206	L	H	HB2	TRP	V	147
R	H	SG	CYS	A	206	L	H	HB3	TRP	V	147
R	H	SG	CYS	A	206	L	H	HE3	TRP	V	147
R	H	SG	CYS	A	206	L	H	N	LEU	V	148
R	H	SG	CYS	A	206	L	H	H	LEU	V	148
R	H	SG	CYS	A	206	L	H	HA	LEU	V	148
R	H	C	MET	A	209	L	H	HE1	PHE	V	104
R	H	CB	MET	A	209	L	H	HD2	PHE	V	151
R	H	CG	MET	A	209	L	H	CD2	PHE	V	151
R	H	CG	MET	A	209	L	H	CE2	PHE	V	151
R	H	CG	MET	A	209	L	H	HD2	PHE	V	151
R	H	CG	MET	A	209	L	H	HE2	PHE	V	151
R	H	SD	MET	A	209	L	H	CE2	PHE	V	151
R	H	SD	MET	A	209	L	H	HD2	PHE	V	151
R	H	SD	MET	A	209	L	H	HE2	PHE	V	151
R	H	N	VAL	A	210	L	H	HE1	PHE	V	104
R	H	CA	VAL	A	210	L	H	HE1	PHE	V	104
R	H	CA	VAL	A	210	L	H	HZ	PHE	V	105
R	H	CB	VAL	A	210	L	H	HE1	PHE	V	66
R	H	CB	VAL	A	210	L	H	HZ	PHE	V	66
R	H	CB	VAL	A	210	L	H	HE1	PHE	V	104
R	H	CB	VAL	A	210	L	H	HE1	PHE	V	105
R	H	CB	VAL	A	210	L	H	HZ	PHE	V	105
R	H	O	VAL	A	210	L	H	HZ	PHE	V	105
R	H	CG1	VAL	A	210	L	H	CE1	PHE	V	66
R	H	CG1	VAL	A	210	L	H	CZ	PHE	V	66
R	H	CG1	VAL	A	210	L	H	HE1	PHE	V	66
R	H	CG1	VAL	A	210	L	H	HZ	PHE	V	66
R	H	CG1	VAL	A	210	L	H	CE1	PHE	V	105
R	H	CG1	VAL	A	210	L	H	CZ	PHE	V	105
R	H	CG1	VAL	A	210	L	H	HE1	PHE	V	105
R	H	CG1	VAL	A	210	L	H	HZ	PHE	V	105
R	H	CG2	VAL	A	210	L	H	CE1	PHE	V	66
R	H	CG2	VAL	A	210	L	H	HE1	PHE	V	66
R	H	CG2	VAL	A	210	L	H	CE1	PHE	V	104
R	H	CG2	VAL	A	210	L	H	HE1	PHE	V	104
R	H	CG2	VAL	A	210	L	H	HZ	PHE	V	104
R	H	CG2	VAL	A	210	L	H	CE1	PHE	V	105
R	H	CG2	VAL	A	210	L	H	CZ	PHE	V	105
R	H	CG2	VAL	A	210	L	H	HE1	PHE	V	105
R	H	CG2	VAL	A	210	L	H	HZ	PHE	V	105
R	H	CG2	VAL	A	210	L	H	CZ3	TRP	V	147
R	H	CG2	VAL	A	210	L	H	HZ3	TRP	V	147
R	H	CB	PHE	A	213	L	H	CE1	PHE	V	100
R	H	CB	PHE	A	213	L	H	HD1	PHE	V	100
R	H	CB	PHE	A	213	L	H	HE1	PHE	V	100
R	H	CB	PHE	A	213	L	H	OG	SER	V	101
R	H	O	PHE	A	213	L	H	CG2	THR	V	97
R	H	O	PHE	A	213	L	H	HG21	THR	V	97
R	H	O	PHE	A	213	L	H	HG22	THR	V	97
R	H	O	PHE	A	213	L	H	HG23	THR	V	97
R	H	CG	PHE	A	213	L	H	CD1	PHE	V	100
R	H	CG	PHE	A	213	L	H	CE1	PHE	V	100
R	H	CG	PHE	A	213	L	H	HD1	PHE	V	100
R	H	CG	PHE	A	213	L	H	HE1	PHE	V	100
R	H	CD1	PHE	A	213	L	H	HG23	THR	V	97
R	H	CD1	PHE	A	213	L	H	CD1	PHE	V	100
R	H	CD1	PHE	A	213	L	H	CE1	PHE	V	100
R	H	CD1	PHE	A	213	L	H	HD1	PHE	V	100
R	H	CD1	PHE	A	213	L	H	HE1	PHE	V	100
R	H	CD2	PHE	A	213	L	H	CE1	PHE	V	100
R	H	CD2	PHE	A	213	L	H	HE1	PHE	V	100
R	H	CE1	PHE	A	213	L	H	CD1	PHE	V	100
R	H	CE1	PHE	A	213	L	H	CE1	PHE	V	100
R	H	CE1	PHE	A	213	L	H	HD1	PHE	V	100
R	H	CE1	PHE	A	213	L	H	HE1	PHE	V	100
R	H	CE2	PHE	A	213	L	H	CE1	PHE	V	100
R	H	CE2	PHE	A	213	L	H	CZ	PHE	V	100
R	H	CE2	PHE	A	213	L	H	HE1	PHE	V	100
R	H	CE2	PHE	A	213	L	H	HZ	PHE	V	100
R	H	CZ	PHE	A	213	L	H	CE1	PHE	V	100
R	H	CB	LEU	A	214	L	H	HE2	PHE	V	105
R	H	CB	LEU	A	214	L	H	HZ	PHE	V	105
R	H	CD1	LEU	A	214	L	H	HB2	SER	V	73
R	H	CD1	LEU	A	214	L	H	HB3	SER	V	73
R	H	CD1	LEU	A	214	L	H	HG22	THR	V	74
R	H	CD1	LEU	A	214	L	H	HE2	PHE	V	105
R	H	CD2	LEU	A	214	L	H	SG	CYS	V	70
R	H	CD2	LEU	A	214	L	H	HA	CYS	V	70
R	H	CD2	LEU	A	214	L	H	HB2	CYS	V	70
R	H	C	LEU	A	216	L	H	HG21	THR	V	97
R	H	CB	LEU	A	216	L	H	HG21	THR	V	97
R	H	O	LEU	A	216	L	H	HG21	THR	V	97
R	H	CG	LEU	A	216	L	H	HG21	THR	V	97
R	H	N	LEU	A	217	L	H	CG2	THR	V	97
R	H	N	LEU	A	217	L	H	HG21	THR	V	97
R	H	N	LEU	A	217	L	H	HG22	THR	V	97
R	H	CA	LEU	A	217	L	H	CG2	THR	V	97
R	H	CA	LEU	A	217	L	H	HG21	THR	V	97
R	H	CA	LEU	A	217	L	H	HG22	THR	V	97
R	H	CB	LEU	A	217	L	H	CG2	THR	V	97
R	H	CB	LEU	A	217	L	H	HB	THR	V	97
R	H	CB	LEU	A	217	L	H	HG21	THR	V	97
R	H	CB	LEU	A	217	L	H	HG22	THR	V	97
R	H	CB	LEU	A	217	L	H	HG23	THR	V	97
R	H	CG	LEU	A	217	L	H	HA	THR	V	74
R	H	CG	LEU	A	217	L	H	CG2	THR	V	97
R	H	CG	LEU	A	217	L	H	HG21	THR	V	97
R	H	CG	LEU	A	217	L	H	HG22	THR	V	97
R	H	CG	LEU	A	217	L	H	HA	GLN	V	98
R	H	CG	LEU	A	217	L	H	HB3	GLN	V	98
R	H	CD1	LEU	A	217	L	H	O	GLY	V	94
R	H	CD1	LEU	A	217	L	H	C	THR	V	97
R	H	CD1	LEU	A	217	L	H	CB	THR	V	97
R	H	CD1	LEU	A	217	L	H	CG2	THR	V	97
R	H	CD1	LEU	A	217	L	H	HB	THR	V	97
R	H	CD1	LEU	A	217	L	H	HG21	THR	V	97
R	H	CD1	LEU	A	217	L	H	HG22	THR	V	97
R	H	CD1	LEU	A	217	L	H	N	GLN	V	98
R	H	CD1	LEU	A	217	L	H	CA	GLN	V	98
R	H	CD1	LEU	A	217	L	H	CB	GLN	V	98
R	H	CD1	LEU	A	217	L	H	H	GLN	V	98
R	H	CD1	LEU	A	217	L	H	HA	GLN	V	98
R	H	CD1	LEU	A	217	L	H	HB3	GLN	V	98
R	H	CD2	LEU	A	217	L	H	CA	THR	V	74
R	H	CD2	LEU	A	217	L	H	CB	THR	V	74
R	H	CD2	LEU	A	217	L	H	O	THR	V	74
R	H	CD2	LEU	A	217	L	H	CG2	THR	V	74
R	H	CD2	LEU	A	217	L	H	HA	THR	V	74
R	H	CD2	LEU	A	217	L	H	HB	THR	V	74
R	H	CD2	LEU	A	217	L	H	HG22	THR	V	74
R	H	CD2	LEU	A	217	L	H	O	THR	V	97
R	H	CD2	LEU	A	217	L	H	HG22	THR	V	97
R	H	CD2	LEU	A	217	L	H	CA	GLN	V	98
R	H	CD2	LEU	A	217	L	H	HA	GLN	V	98
R	H	CD2	LEU	A	217	L	H	HB3	GLN	V	98
R	H	CD2	LEU	A	217	L	H	HG3	GLN	V	98
R	H	CD2	LEU	A	217	L	H	CB	SER	V	101
R	H	CD2	LEU	A	217	L	H	OG	SER	V	101
R	H	CD2	LEU	A	217	L	H	HB2	SER	V	101
R	H	CD2	LEU	A	217	L	H	HB3	SER	V	101
R	H	CD2	LEU	A	217	L	H	HG	SER	V	101
R	H	CD2	LEU	A	218	L	H	O	SER	V	73
R	H	CD2	LEU	A	218	L	H	HG2	PRO	V	77
R	H	CB	LEU	A	220	L	H	CA	GLY	V	94
R	H	CB	LEU	A	220	L	H	HA2	GLY	V	94
R	H	CB	LEU	A	220	L	H	HA3	GLY	V	94
R	H	CG	LEU	A	220	L	H	HA2	GLY	V	94
R	H	CD1	LEU	A	220	L	H	C	ASN	V	93
R	H	CD1	LEU	A	220	L	H	O	ASN	V	93
R	H	CD1	LEU	A	220	L	H	HB2	ASN	V	93
R	H	CD1	LEU	A	220	L	H	N	GLY	V	94
R	H	CD1	LEU	A	220	L	H	CA	GLY	V	94
R	H	CD1	LEU	A	220	L	H	HA2	GLY	V	94
R	H	CD1	LEU	A	220	L	H	OG1	THR	V	97
R	H	CD1	LEU	A	220	L	H	HB	THR	V	97
R	H	CD1	LEU	A	220	L	H	HG1	THR	V	97
R	H	CD1	LEU	A	220	L	H	HG21	THR	V	97
R	H	CD2	LEU	A	220	L	S	HG	SER	V	91
R	H	CA	LEU	A	221	L	H	HD3	LYS	V	78
R	H	C	LEU	A	221	L	H	HD3	LYS	V	78
R	H	CB	LEU	A	221	L	H	HB2	LYS	V	78
R	H	CB	LEU	A	221	L	H	HD3	LYS	V	78
R	H	O	LEU	A	221	L	H	HD3	LYS	V	78
R	H	O	LEU	A	221	L	H	HZ3	LYS	V	78
R	H	CG	LEU	A	221	L	H	CB	LYS	V	78
R	H	CG	LEU	A	221	L	H	HB2	LYS	V	78
R	H	CG	LEU	A	221	L	H	HG2	LYS	V	78
R	H	CG	LEU	A	221	L	H	HD3	LYS	V	78
R	H	CD1	LEU	A	221	L	H	O	THR	V	74
R	H	CD1	LEU	A	221	L	H	CB	LYS	V	78
R	H	CD1	LEU	A	221	L	H	H	LYS	V	78
R	H	CD1	LEU	A	221	L	H	HB2	LYS	V	78
R	H	CD1	LEU	A	221	L	H	HB3	LYS	V	78
R	H	CD1	LEU	A	221	L	H	HG2	LYS	V	78
R	H	CD1	LEU	A	221	L	H	HE21	GLN	V	98
R	H	CD2	LEU	A	221	L	H	CB	LYS	V	78
R	H	CD2	LEU	A	221	L	H	CG	LYS	V	78
R	H	CD2	LEU	A	221	L	H	CD	LYS	V	78
R	H	CD2	LEU	A	221	L	H	CE	LYS	V	78
R	H	CD2	LEU	A	221	L	H	HB2	LYS	V	78
R	H	CD2	LEU	A	221	L	H	HB3	LYS	V	78
R	H	CD2	LEU	A	221	L	H	HG2	LYS	V	78
R	H	CD2	LEU	A	221	L	H	HG3	LYS	V	78
R	H	CD2	LEU	A	221	L	H	HD3	LYS	V	78
R	H	CD2	LEU	A	221	L	H	HE3	LYS	V	78
R	H	CD2	LEU	A	221	L	S	CD1	ILE	V	90
R	H	CD2	LEU	A	221	L	S	HG13	ILE	V	90
R	H	CD2	LEU	A	221	L	S	HD11	ILE	V	90
R	H	CD2	LEU	A	221	L	S	HD13	ILE	V	90
R	H	CD2	LEU	A	221	L	H	HE22	GLN	V	98
R	H	CB	VAL	A	224	L	H	HZ2	LYS	V	78
R	H	CB	VAL	A	224	L	H	HZ3	LYS	V	78
R	H	CB	VAL	A	224	L	S	C	ILE	V	89
R	H	CB	VAL	A	224	L	S	O	ILE	V	89
R	H	CB	VAL	A	224	L	S	CA	ILE	V	90
R	H	CB	VAL	A	224	L	S	HA	ILE	V	90
R	H	CB	VAL	A	224	L	S	H	SER	V	91
R	H	O	VAL	A	224	L	S	HB	ILE	V	89
R	H	CG1	VAL	A	224	L	H	NZ	LYS	V	78
R	H	CG1	VAL	A	224	L	H	HE3	LYS	V	78
R	H	CG1	VAL	A	224	L	H	HZ2	LYS	V	78
R	H	CG1	VAL	A	224	L	H	HZ3	LYS	V	78
R	H	CG1	VAL	A	224	L	S	CA	ILE	V	89
R	H	CG1	VAL	A	224	L	S	C	ILE	V	89
R	H	CG1	VAL	A	224	L	S	CB	ILE	V	89
R	H	CG1	VAL	A	224	L	S	O	ILE	V	89
R	H	CG1	VAL	A	224	L	S	HB	ILE	V	89
R	H	CG1	VAL	A	224	L	S	HG21	ILE	V	89
R	H	CG1	VAL	A	224	L	S	N	ILE	V	90
R	H	CG1	VAL	A	224	L	S	CA	ILE	V	90
R	H	CG1	VAL	A	224	L	S	HA	ILE	V	90
R	H	CG1	VAL	A	224	L	S	H	SER	V	91
R	H	CG2	VAL	A	224	L	S	O	ILE	V	89
R	H	CG2	VAL	A	224	L	S	CA	ILE	V	90
R	H	CG2	VAL	A	224	L	S	C	ILE	V	90
R	H	CG2	VAL	A	224	L	S	HA	ILE	V	90
R	H	CG2	VAL	A	224	L	S	HG13	ILE	V	90
R	H	CG2	VAL	A	224	L	S	N	SER	V	91
R	H	CG2	VAL	A	224	L	S	H	SER	V	91
R	H	CG2	VAL	A	224	L	S	HB3	SER	V	91
R	H	N	HIS	A	225	L	H	HZ3	LYS	V	78
R	H	CB	HIS	A	225	L	H	HZ3	LYS	V	78
R	H	CB	HIS	A	225	L	H	HB1	ALA	V	81
R	H	O	HIS	A	225	L	-	HG13	VAL	V	85
R	H	CG	HIS	A	225	L	H	NZ	LYS	V	78
R	H	CG	HIS	A	225	L	H	HZ1	LYS	V	78
R	H	CG	HIS	A	225	L	H	HZ3	LYS	V	78
R	H	CG	HIS	A	225	L	H	CB	ALA	V	81
R	H	CG	HIS	A	225	L	H	HB1	ALA	V	81
R	H	CG	HIS	A	225	L	H	HB3	ALA	V	81
R	H	CD2	HIS	A	225	L	H	CD	LYS	V	78
R	H	CD2	HIS	A	225	L	H	CE	LYS	V	78
R	H	CD2	HIS	A	225	L	H	NZ	LYS	V	78
R	H	CD2	HIS	A	225	L	H	HA	LYS	V	78
R	H	CD2	HIS	A	225	L	H	HD2	LYS	V	78
R	H	CD2	HIS	A	225	L	H	HD3	LYS	V	78
R	H	CD2	HIS	A	225	L	H	HZ1	LYS	V	78
R	H	CD2	HIS	A	225	L	H	HZ2	LYS	V	78
R	H	CD2	HIS	A	225	L	H	HZ3	LYS	V	78
R	H	CD2	HIS	A	225	L	H	CB	ALA	V	81
R	H	CD2	HIS	A	225	L	H	HB1	ALA	V	81
R	H	CD2	HIS	A	225	L	H	HB2	ALA	V	81
R	H	CD2	HIS	A	225	L	H	HB3	ALA	V	81
R	H	ND1	HIS	A	225	L	H	NZ	LYS	V	78
R	H	ND1	HIS	A	225	L	H	HD2	LYS	V	78
R	H	ND1	HIS	A	225	L	H	HZ1	LYS	V	78
R	H	ND1	HIS	A	225	L	H	HZ2	LYS	V	78
R	H	ND1	HIS	A	225	L	H	HZ3	LYS	V	78
R	H	ND1	HIS	A	225	L	H	C	ALA	V	81
R	H	ND1	HIS	A	225	L	H	CB	ALA	V	81
R	H	ND1	HIS	A	225	L	H	O	ALA	V	81
R	H	ND1	HIS	A	225	L	H	HB1	ALA	V	81
R	H	ND1	HIS	A	225	L	H	HB3	ALA	V	81
R	H	ND1	HIS	A	225	L	H	OD1	ASP	V	82
R	H	ND1	HIS	A	225	L	H	HA	ASP	V	82
R	H	ND1	HIS	A	225	L	-	CG2	VAL	V	85
R	H	ND1	HIS	A	225	L	-	HG12	VAL	V	85
R	H	ND1	HIS	A	225	L	-	HG13	VAL	V	85
R	H	ND1	HIS	A	225	L	-	HG22	VAL	V	85
R	H	ND1	HIS	A	225	L	-	HG23	VAL	V	85
R	H	CE1	HIS	A	225	L	H	O	LYS	V	78
R	H	CE1	HIS	A	225	L	H	CD	LYS	V	78
R	H	CE1	HIS	A	225	L	H	CE	LYS	V	78
R	H	CE1	HIS	A	225	L	H	NZ	LYS	V	78
R	H	CE1	HIS	A	225	L	H	HD2	LYS	V	78
R	H	CE1	HIS	A	225	L	H	HZ1	LYS	V	78
R	H	CE1	HIS	A	225	L	H	HZ2	LYS	V	78
R	H	CE1	HIS	A	225	L	H	HZ3	LYS	V	78
R	H	CE1	HIS	A	225	L	H	CA	ALA	V	81
R	H	CE1	HIS	A	225	L	H	C	ALA	V	81
R	H	CE1	HIS	A	225	L	H	CB	ALA	V	81
R	H	CE1	HIS	A	225	L	H	O	ALA	V	81
R	H	CE1	HIS	A	225	L	H	HB1	ALA	V	81
R	H	CE1	HIS	A	225	L	H	HB3	ALA	V	81
R	H	CE1	HIS	A	225	L	H	N	ASP	V	82
R	H	CE1	HIS	A	225	L	H	CA	ASP	V	82
R	H	CE1	HIS	A	225	L	H	CB	ASP	V	82
R	H	CE1	HIS	A	225	L	H	CG	ASP	V	82
R	H	CE1	HIS	A	225	L	H	OD1	ASP	V	82
R	H	CE1	HIS	A	225	L	H	H	ASP	V	82
R	H	CE1	HIS	A	225	L	H	HA	ASP	V	82
R	H	CE1	HIS	A	225	L	-	HG22	VAL	V	85
R	H	CE1	HIS	A	225	L	-	HG23	VAL	V	85
R	H	NE2	HIS	A	225	L	H	O	LYS	V	78
R	H	NE2	HIS	A	225	L	H	CD	LYS	V	78
R	H	NE2	HIS	A	225	L	H	CE	LYS	V	78
R	H	NE2	HIS	A	225	L	H	NZ	LYS	V	78
R	H	NE2	HIS	A	225	L	H	HA	LYS	V	78
R	H	NE2	HIS	A	225	L	H	HD2	LYS	V	78
R	H	NE2	HIS	A	225	L	H	HD3	LYS	V	78
R	H	NE2	HIS	A	225	L	H	HE2	LYS	V	78
R	H	NE2	HIS	A	225	L	H	HZ1	LYS	V	78
R	H	NE2	HIS	A	225	L	H	HZ2	LYS	V	78
R	H	NE2	HIS	A	225	L	H	HZ3	LYS	V	78
R	H	NE2	HIS	A	225	L	H	CA	ALA	V	81
R	H	NE2	HIS	A	225	L	H	C	ALA	V	81
R	H	NE2	HIS	A	225	L	H	CB	ALA	V	81
R	H	NE2	HIS	A	225	L	H	HB1	ALA	V	81
R	H	NE2	HIS	A	225	L	H	HB2	ALA	V	81
R	H	NE2	HIS	A	225	L	H	HB3	ALA	V	81
R	H	NE2	HIS	A	225	L	H	N	ASP	V	82
R	H	NE2	HIS	A	225	L	H	CG	ASP	V	82
R	H	NE2	HIS	A	225	L	H	OD1	ASP	V	82
R	H	NE2	HIS	A	225	L	H	H	ASP	V	82
R	H	CB	ALA	A	228	L	-	O	HIS	V	87
R	H	CB	ALA	A	228	L	S	HD13	ILE	V	89
R	H	NE	ARG	A	232	L	-	H	GLU	V	86
R	H	NE	ARG	A	232	L	-	HB2	GLU	V	86
R	H	NE	ARG	A	232	L	-	HD2	HIS	V	87
R	H	NH1	ARG	A	232	L	-	CA	VAL	V	85
R	H	NH1	ARG	A	232	L	-	HA	VAL	V	85
R	H	NH1	ARG	A	232	L	-	HB	VAL	V	85
R	H	NH1	ARG	A	232	L	-	HG11	VAL	V	85
R	H	NH1	ARG	A	232	L	-	N	GLU	V	86
R	H	NH1	ARG	A	232	L	-	CG	GLU	V	86
R	H	NH1	ARG	A	232	L	-	H	GLU	V	86
R	H	NH1	ARG	A	232	L	-	HB2	GLU	V	86
R	H	NH1	ARG	A	232	L	-	HG3	GLU	V	86
R	H	NH1	ARG	A	232	L	-	H	HIS	V	87
R	H	NH2	ARG	A	232	L	-	C	VAL	V	85
R	H	NH2	ARG	A	232	L	-	HA	VAL	V	85
R	H	NH2	ARG	A	232	L	-	HB	VAL	V	85
R	H	NH2	ARG	A	232	L	-	N	GLU	V	86
R	H	NH2	ARG	A	232	L	-	CA	GLU	V	86
R	H	NH2	ARG	A	232	L	-	C	GLU	V	86
R	H	NH2	ARG	A	232	L	-	CB	GLU	V	86
R	H	NH2	ARG	A	232	L	-	CG	GLU	V	86
R	H	NH2	ARG	A	232	L	-	H	GLU	V	86
R	H	NH2	ARG	A	232	L	-	HB2	GLU	V	86
R	H	NH2	ARG	A	232	L	-	HB3	GLU	V	86
R	H	NH2	ARG	A	232	L	-	HG3	GLU	V	86
R	H	NH2	ARG	A	232	L	-	N	HIS	V	87
R	H	NH2	ARG	A	232	L	-	CD2	HIS	V	87
R	H	NH2	ARG	A	232	L	-	H	HIS	V	87
R	H	NH2	ARG	A	232	L	-	HB2	HIS	V	87
R	H	NH2	ARG	A	232	L	-	HD2	HIS	V	87
R	H	CZ	ARG	A	232	L	-	HA	VAL	V	85
R	H	CZ	ARG	A	232	L	-	HB	VAL	V	85
R	H	CZ	ARG	A	232	L	-	N	GLU	V	86
R	H	CZ	ARG	A	232	L	-	CB	GLU	V	86
R	H	CZ	ARG	A	232	L	-	CG	GLU	V	86
R	H	CZ	ARG	A	232	L	-	H	GLU	V	86
R	H	CZ	ARG	A	232	L	-	HB2	GLU	V	86
R	H	CZ	ARG	A	232	L	-	HG3	GLU	V	86
R	H	CZ	ARG	A	232	L	-	H	HIS	V	87
R	H	CZ	ARG	A	232	L	-	HD2	HIS	V	87
R	H	OH	TYR	A	264	L	H	HZ	PHE	V	151

- 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