IID

P47888_Q8NGD4.1 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	-	SER	A	20	L	H	TYR	V	44
R	-	SER	A	20	L	H	THR	V	48
R	-	SER	A	20	L	H	LEU	V	52
R	H	TRP	A	21	L	H	LEU	V	52
R	H	GLY	A	22	L	H	LEU	V	52
R	H	GLY	A	22	L	H	VAL	V	77
R	H	GLY	A	22	L	H	VAL	V	80
R	H	LEU	A	23	L	H	TYR	V	44
R	H	LEU	A	23	L	H	LEU	V	52
R	H	LEU	A	23	L	H	VAL	V	80
R	H	LEU	A	23	L	H	GLY	V	81
R	H	LEU	A	23	L	H	THR	V	84
R	H	THR	A	245	L	H	VAL	V	170
R	H	THR	A	245	L	H	SER	V	173
R	H	THR	A	245	L	H	THR	V	174
R	H	ILE	A	248	L	H	TYR	V	103
R	H	ILE	A	248	L	H	SER	V	173
R	H	LEU	A	249	L	H	TYR	V	103
R	H	LEU	A	249	L	H	ASP	V	104
R	H	LEU	A	249	L	H	LEU	V	107
R	H	LEU	A	249	L	H	SER	V	173
R	H	LEU	A	25	L	H	LEU	V	55
R	H	LEU	A	25	L	H	VAL	V	77
R	H	GLY	A	252	L	H	ASP	V	104
R	H	GLY	A	252	L	-	ALA	V	19
R	H	PRO	A	253	L	H	TYR	V	103
R	H	PRO	A	253	L	H	ASP	V	104
R	H	ILE	A	255	L	-	ALA	V	17
R	H	ILE	A	255	L	-	ALA	V	19
R	H	TYR	A	256	L	S	SER	V	102
R	H	TYR	A	256	L	-	ALA	V	19
R	H	TYR	A	256	L	S	GLU	V	20
R	H	ILE	A	259	L	-	ALA	V	19
R	H	PHE	A	26	L	H	LEU	V	116
R	H	PHE	A	26	L	H	TRP	V	158
R	H	PHE	A	26	L	H	VAL	V	77
R	H	PHE	A	26	L	H	LEU	V	78
R	H	PHE	A	26	L	H	GLY	V	81
R	H	PHE	A	26	L	H	VAL	V	85
R	-	TRP	A	260	L	S	GLU	V	20
R	-	TRP	A	260	L	-	LYS	V	98
R	-	SER	A	263	L	-	LYS	V	98
R	-	ARG	A	264	L	-	LYS	V	98
R	-	LEU	A	265	L	S	THR	V	100
R	-	LEU	A	265	L	-	LYS	V	98
R	H	PRO	A	266	L	H	GLY	V	92
R	H	VAL	A	267	L	S	THR	V	100
R	H	VAL	A	267	L	S	ILE	V	101
R	H	VAL	A	267	L	S	SER	V	102
R	H	VAL	A	267	L	H	ALA	V	105
R	H	PHE	A	27	L	H	THR	V	84
R	H	PHE	A	270	L	H	ALA	V	105
R	H	PHE	A	270	L	H	SER	V	108
R	H	PHE	A	270	L	H	ALA	V	89
R	H	LEU	A	271	L	S	SER	V	102
R	H	LEU	A	271	L	H	ASP	V	104
R	H	LEU	A	271	L	H	ALA	V	105
R	H	VAL	A	273	L	H	PHE	V	112
R	H	PHE	A	274	L	H	ASP	V	104
R	H	PHE	A	274	L	H	LEU	V	107
R	H	PHE	A	274	L	H	SER	V	108
R	H	LEU	A	281	L	H	PHE	V	162
R	H	LEU	A	281	L	H	LEU	V	166
R	H	LEU	A	282	L	H	LEU	V	166
R	H	LEU	A	282	L	H	VAL	V	170
R	H	ILE	A	285	L	H	LEU	V	166
R	H	ILE	A	285	L	H	VAL	V	170
R	-	ARG	A	290	L	H	VAL	V	170
R	H	ILE	A	30	L	H	PHE	V	111
R	H	ILE	A	30	L	H	PHE	V	112
R	H	ILE	A	30	L	H	LEU	V	115
R	H	ILE	A	30	L	H	LEU	V	116
R	H	PHE	A	31	L	H	PHE	V	112
R	H	VAL	A	34	L	H	PHE	V	162

- 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

P47888_Q8NGD4.1 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	-	CB	SER	A	20	L	H	OH	TYR	V	44
R	-	OG	SER	A	20	L	H	HB	THR	V	48
R	-	OG	SER	A	20	L	H	HG21	THR	V	48
R	-	OG	SER	A	20	L	H	CD1	LEU	V	52
R	-	OG	SER	A	20	L	H	HD11	LEU	V	52
R	-	OG	SER	A	20	L	H	HD12	LEU	V	52
R	H	N	TRP	A	21	L	H	HD12	LEU	V	52
R	H	N	TRP	A	21	L	H	HD13	LEU	V	52
R	H	C	TRP	A	21	L	H	CD2	LEU	V	52
R	H	C	TRP	A	21	L	H	HD12	LEU	V	52
R	H	C	TRP	A	21	L	H	HD13	LEU	V	52
R	H	C	TRP	A	21	L	H	HD22	LEU	V	52
R	H	C	TRP	A	21	L	H	HD23	LEU	V	52
R	H	CB	TRP	A	21	L	H	HD13	LEU	V	52
R	H	CB	TRP	A	21	L	H	HD23	LEU	V	52
R	H	O	TRP	A	21	L	H	HD22	LEU	V	52
R	H	CG	TRP	A	21	L	H	HD23	LEU	V	52
R	H	CD1	TRP	A	21	L	H	HD23	LEU	V	52
R	H	N	GLY	A	22	L	H	CG	LEU	V	52
R	H	N	GLY	A	22	L	H	CD1	LEU	V	52
R	H	N	GLY	A	22	L	H	CD2	LEU	V	52
R	H	N	GLY	A	22	L	H	HD12	LEU	V	52
R	H	N	GLY	A	22	L	H	HD13	LEU	V	52
R	H	N	GLY	A	22	L	H	HD21	LEU	V	52
R	H	N	GLY	A	22	L	H	HD22	LEU	V	52
R	H	N	GLY	A	22	L	H	HD23	LEU	V	52
R	H	N	GLY	A	22	L	H	HG13	VAL	V	80
R	H	CA	GLY	A	22	L	H	CG	LEU	V	52
R	H	CA	GLY	A	22	L	H	CD1	LEU	V	52
R	H	CA	GLY	A	22	L	H	CD2	LEU	V	52
R	H	CA	GLY	A	22	L	H	HG	LEU	V	52
R	H	CA	GLY	A	22	L	H	HD12	LEU	V	52
R	H	CA	GLY	A	22	L	H	HD13	LEU	V	52
R	H	CA	GLY	A	22	L	H	HD21	LEU	V	52
R	H	CA	GLY	A	22	L	H	HD22	LEU	V	52
R	H	CA	GLY	A	22	L	H	HD23	LEU	V	52
R	H	CA	GLY	A	22	L	H	CG1	VAL	V	80
R	H	CA	GLY	A	22	L	H	HG13	VAL	V	80
R	H	CA	GLY	A	22	L	H	HG22	VAL	V	80
R	H	C	GLY	A	22	L	H	CD2	LEU	V	52
R	H	C	GLY	A	22	L	H	HD12	LEU	V	52
R	H	C	GLY	A	22	L	H	HD22	LEU	V	52
R	H	C	GLY	A	22	L	H	CG1	VAL	V	80
R	H	C	GLY	A	22	L	H	HG11	VAL	V	80
R	H	C	GLY	A	22	L	H	HG12	VAL	V	80
R	H	C	GLY	A	22	L	H	HG13	VAL	V	80
R	H	C	GLY	A	22	L	H	HG22	VAL	V	80
R	H	O	GLY	A	22	L	H	HD22	LEU	V	52
R	H	O	GLY	A	22	L	H	HG12	VAL	V	77
R	H	O	GLY	A	22	L	H	CG1	VAL	V	80
R	H	O	GLY	A	22	L	H	HB	VAL	V	80
R	H	O	GLY	A	22	L	H	HG11	VAL	V	80
R	H	O	GLY	A	22	L	H	HG13	VAL	V	80
R	H	N	LEU	A	23	L	H	HD22	LEU	V	52
R	H	N	LEU	A	23	L	H	CG1	VAL	V	80
R	H	N	LEU	A	23	L	H	HG11	VAL	V	80
R	H	N	LEU	A	23	L	H	HG12	VAL	V	80
R	H	N	LEU	A	23	L	H	HG13	VAL	V	80
R	H	CA	LEU	A	23	L	H	CG1	VAL	V	80
R	H	CA	LEU	A	23	L	H	HG11	VAL	V	80
R	H	CA	LEU	A	23	L	H	HG12	VAL	V	80
R	H	CA	LEU	A	23	L	H	HG13	VAL	V	80
R	H	CB	LEU	A	23	L	H	HG11	VAL	V	80
R	H	CB	LEU	A	23	L	H	HG13	VAL	V	80
R	H	CB	LEU	A	23	L	H	CG2	THR	V	84
R	H	CB	LEU	A	23	L	H	OG1	THR	V	84
R	H	CB	LEU	A	23	L	H	HG21	THR	V	84
R	H	CG	LEU	A	23	L	H	HG11	VAL	V	80
R	H	CG	LEU	A	23	L	H	CB	THR	V	84
R	H	CG	LEU	A	23	L	H	CG2	THR	V	84
R	H	CG	LEU	A	23	L	H	OG1	THR	V	84
R	H	CG	LEU	A	23	L	H	HB	THR	V	84
R	H	CG	LEU	A	23	L	H	HG1	THR	V	84
R	H	CG	LEU	A	23	L	H	HG21	THR	V	84
R	H	CG	LEU	A	23	L	H	HG22	THR	V	84
R	H	CG	LEU	A	23	L	H	HG23	THR	V	84
R	H	CD1	LEU	A	23	L	H	O	VAL	V	80
R	H	CD1	LEU	A	23	L	H	HG11	VAL	V	80
R	H	CD1	LEU	A	23	L	H	HA2	GLY	V	81
R	H	CD1	LEU	A	23	L	H	CA	THR	V	84
R	H	CD1	LEU	A	23	L	H	CB	THR	V	84
R	H	CD1	LEU	A	23	L	H	CG2	THR	V	84
R	H	CD1	LEU	A	23	L	H	OG1	THR	V	84
R	H	CD1	LEU	A	23	L	H	HB	THR	V	84
R	H	CD1	LEU	A	23	L	H	HG1	THR	V	84
R	H	CD1	LEU	A	23	L	H	HG21	THR	V	84
R	H	CD1	LEU	A	23	L	H	HG22	THR	V	84
R	H	CD1	LEU	A	23	L	H	HG23	THR	V	84
R	H	CD2	LEU	A	23	L	H	OH	TYR	V	44
R	H	CD2	LEU	A	23	L	H	HH	TYR	V	44
R	H	CD2	LEU	A	23	L	H	CB	THR	V	84
R	H	CD2	LEU	A	23	L	H	CG2	THR	V	84
R	H	CD2	LEU	A	23	L	H	OG1	THR	V	84
R	H	CD2	LEU	A	23	L	H	HB	THR	V	84
R	H	CD2	LEU	A	23	L	H	HG1	THR	V	84
R	H	CD2	LEU	A	23	L	H	HG21	THR	V	84
R	H	CD2	LEU	A	23	L	H	HG22	THR	V	84
R	H	CD2	LEU	A	23	L	H	HG23	THR	V	84
R	H	C	LEU	A	25	L	H	HG12	VAL	V	77
R	H	CD1	LEU	A	25	L	H	CD2	LEU	V	55
R	H	CD1	LEU	A	25	L	H	HD21	LEU	V	55
R	H	CD1	LEU	A	25	L	H	HD23	LEU	V	55
R	H	N	PHE	A	26	L	H	HG12	VAL	V	77
R	H	CA	PHE	A	26	L	H	CG1	VAL	V	77
R	H	CA	PHE	A	26	L	H	HG11	VAL	V	77
R	H	CA	PHE	A	26	L	H	HG12	VAL	V	77
R	H	CA	PHE	A	26	L	H	HG13	VAL	V	77
R	H	CB	PHE	A	26	L	H	O	VAL	V	77
R	H	CB	PHE	A	26	L	H	CG1	VAL	V	77
R	H	CB	PHE	A	26	L	H	HG11	VAL	V	77
R	H	CB	PHE	A	26	L	H	HG12	VAL	V	77
R	H	CB	PHE	A	26	L	H	HA2	GLY	V	81
R	H	CG	PHE	A	26	L	H	O	VAL	V	77
R	H	CG	PHE	A	26	L	H	HG11	VAL	V	77
R	H	CG	PHE	A	26	L	H	CA	GLY	V	81
R	H	CG	PHE	A	26	L	H	H	GLY	V	81
R	H	CG	PHE	A	26	L	H	HA2	GLY	V	81
R	H	CG	PHE	A	26	L	H	HA3	GLY	V	81
R	H	CG	PHE	A	26	L	H	HD23	LEU	V	116
R	H	CD1	PHE	A	26	L	H	CA	GLY	V	81
R	H	CD1	PHE	A	26	L	H	HA2	GLY	V	81
R	H	CD1	PHE	A	26	L	H	HA3	GLY	V	81
R	H	CD1	PHE	A	26	L	H	HD13	LEU	V	116
R	H	CD1	PHE	A	26	L	H	HD23	LEU	V	116
R	H	CD2	PHE	A	26	L	H	O	VAL	V	77
R	H	CD2	PHE	A	26	L	H	CG1	VAL	V	77
R	H	CD2	PHE	A	26	L	H	HG11	VAL	V	77
R	H	CD2	PHE	A	26	L	H	HG12	VAL	V	77
R	H	CD2	PHE	A	26	L	H	HA	LEU	V	78
R	H	CD2	PHE	A	26	L	H	HD21	LEU	V	78
R	H	CD2	PHE	A	26	L	H	CA	GLY	V	81
R	H	CD2	PHE	A	26	L	H	H	GLY	V	81
R	H	CD2	PHE	A	26	L	H	HA2	GLY	V	81
R	H	CD2	PHE	A	26	L	H	HA3	GLY	V	81
R	H	CD2	PHE	A	26	L	H	CD2	LEU	V	116
R	H	CD2	PHE	A	26	L	H	HD13	LEU	V	116
R	H	CD2	PHE	A	26	L	H	HD22	LEU	V	116
R	H	CD2	PHE	A	26	L	H	HD23	LEU	V	116
R	H	CE1	PHE	A	26	L	H	CA	GLY	V	81
R	H	CE1	PHE	A	26	L	H	HA2	GLY	V	81
R	H	CE1	PHE	A	26	L	H	HA3	GLY	V	81
R	H	CE1	PHE	A	26	L	H	HG21	VAL	V	85
R	H	CE1	PHE	A	26	L	H	CD1	LEU	V	116
R	H	CE1	PHE	A	26	L	H	CD2	LEU	V	116
R	H	CE1	PHE	A	26	L	H	HD12	LEU	V	116
R	H	CE1	PHE	A	26	L	H	HD13	LEU	V	116
R	H	CE1	PHE	A	26	L	H	HD23	LEU	V	116
R	H	CE2	PHE	A	26	L	H	HA	LEU	V	78
R	H	CE2	PHE	A	26	L	H	HD21	LEU	V	78
R	H	CE2	PHE	A	26	L	H	CA	GLY	V	81
R	H	CE2	PHE	A	26	L	H	HA2	GLY	V	81
R	H	CE2	PHE	A	26	L	H	HA3	GLY	V	81
R	H	CE2	PHE	A	26	L	H	CG	LEU	V	116
R	H	CE2	PHE	A	26	L	H	CD1	LEU	V	116
R	H	CE2	PHE	A	26	L	H	CD2	LEU	V	116
R	H	CE2	PHE	A	26	L	H	HG	LEU	V	116
R	H	CE2	PHE	A	26	L	H	HD12	LEU	V	116
R	H	CE2	PHE	A	26	L	H	HD13	LEU	V	116
R	H	CE2	PHE	A	26	L	H	HD21	LEU	V	116
R	H	CE2	PHE	A	26	L	H	HD22	LEU	V	116
R	H	CE2	PHE	A	26	L	H	HD23	LEU	V	116
R	H	CE2	PHE	A	26	L	H	HH2	TRP	V	158
R	H	CZ	PHE	A	26	L	H	CA	GLY	V	81
R	H	CZ	PHE	A	26	L	H	HA2	GLY	V	81
R	H	CZ	PHE	A	26	L	H	HA3	GLY	V	81
R	H	CZ	PHE	A	26	L	H	CG	LEU	V	116
R	H	CZ	PHE	A	26	L	H	CD1	LEU	V	116
R	H	CZ	PHE	A	26	L	H	CD2	LEU	V	116
R	H	CZ	PHE	A	26	L	H	HG	LEU	V	116
R	H	CZ	PHE	A	26	L	H	HD11	LEU	V	116
R	H	CZ	PHE	A	26	L	H	HD12	LEU	V	116
R	H	CZ	PHE	A	26	L	H	HD13	LEU	V	116
R	H	CZ	PHE	A	26	L	H	HD21	LEU	V	116
R	H	CZ	PHE	A	26	L	H	HD22	LEU	V	116
R	H	CZ	PHE	A	26	L	H	HD23	LEU	V	116
R	H	CE2	PHE	A	27	L	H	HG21	THR	V	84
R	H	CZ	PHE	A	27	L	H	CG2	THR	V	84
R	H	CZ	PHE	A	27	L	H	HG21	THR	V	84
R	H	CZ	PHE	A	27	L	H	HG22	THR	V	84
R	H	CB	ILE	A	30	L	H	CE1	PHE	V	112
R	H	CB	ILE	A	30	L	H	HE1	PHE	V	112
R	H	CG1	ILE	A	30	L	H	HD1	PHE	V	112
R	H	CG1	ILE	A	30	L	H	HE1	PHE	V	112
R	H	CG1	ILE	A	30	L	H	HD21	LEU	V	115
R	H	CG1	ILE	A	30	L	H	HD22	LEU	V	115
R	H	CG2	ILE	A	30	L	H	HE1	PHE	V	111
R	H	CG2	ILE	A	30	L	H	CD1	PHE	V	112
R	H	CG2	ILE	A	30	L	H	CE1	PHE	V	112
R	H	CG2	ILE	A	30	L	H	CZ	PHE	V	112
R	H	CG2	ILE	A	30	L	H	HD1	PHE	V	112
R	H	CG2	ILE	A	30	L	H	HE1	PHE	V	112
R	H	CG2	ILE	A	30	L	H	HZ	PHE	V	112
R	H	CD1	ILE	A	30	L	H	CD1	PHE	V	112
R	H	CD1	ILE	A	30	L	H	CE1	PHE	V	112
R	H	CD1	ILE	A	30	L	H	HD1	PHE	V	112
R	H	CD1	ILE	A	30	L	H	HE1	PHE	V	112
R	H	CD1	ILE	A	30	L	H	CD2	LEU	V	115
R	H	CD1	ILE	A	30	L	H	HD21	LEU	V	115
R	H	CD1	ILE	A	30	L	H	HD22	LEU	V	115
R	H	CD1	ILE	A	30	L	H	HD23	LEU	V	116
R	H	CD1	PHE	A	31	L	H	HZ	PHE	V	112
R	H	CE1	PHE	A	31	L	H	CZ	PHE	V	112
R	H	CE1	PHE	A	31	L	H	HZ	PHE	V	112
R	H	CZ	PHE	A	31	L	H	HZ	PHE	V	112
R	H	CG2	VAL	A	34	L	H	HE2	PHE	V	162
R	H	CB	THR	A	245	L	H	HG23	THR	V	174
R	H	CG2	THR	A	245	L	H	HG12	VAL	V	170
R	H	CG2	THR	A	245	L	H	OG	SER	V	173
R	H	CG2	THR	A	245	L	H	HG	SER	V	173
R	H	CG2	THR	A	245	L	H	HG22	THR	V	174
R	H	CG2	THR	A	245	L	H	HG23	THR	V	174
R	H	OG1	THR	A	245	L	H	CG2	THR	V	174
R	H	OG1	THR	A	245	L	H	HA	THR	V	174
R	H	OG1	THR	A	245	L	H	HG21	THR	V	174
R	H	OG1	THR	A	245	L	H	HG22	THR	V	174
R	H	OG1	THR	A	245	L	H	HG23	THR	V	174
R	H	O	ILE	A	248	L	H	HE1	TYR	V	103
R	H	CG2	ILE	A	248	L	H	OH	TYR	V	103
R	H	CG2	ILE	A	248	L	H	HH	TYR	V	103
R	H	CG2	ILE	A	248	L	H	O	SER	V	173
R	H	CA	LEU	A	249	L	H	HE1	TYR	V	103
R	H	O	LEU	A	249	L	H	OD1	ASP	V	104
R	H	CG	LEU	A	249	L	H	CB	SER	V	173
R	H	CG	LEU	A	249	L	H	OG	SER	V	173
R	H	CG	LEU	A	249	L	H	HB2	SER	V	173
R	H	CG	LEU	A	249	L	H	HB3	SER	V	173
R	H	CD1	LEU	A	249	L	H	CB	SER	V	173
R	H	CD1	LEU	A	249	L	H	OG	SER	V	173
R	H	CD1	LEU	A	249	L	H	HB2	SER	V	173
R	H	CD1	LEU	A	249	L	H	HB3	SER	V	173
R	H	CD2	LEU	A	249	L	H	HE1	TYR	V	103
R	H	CD2	LEU	A	249	L	H	CD1	LEU	V	107
R	H	CD2	LEU	A	249	L	H	HD11	LEU	V	107
R	H	CD2	LEU	A	249	L	H	HD12	LEU	V	107
R	H	CD2	LEU	A	249	L	H	HD13	LEU	V	107
R	H	CD2	LEU	A	249	L	H	CB	SER	V	173
R	H	CD2	LEU	A	249	L	H	OG	SER	V	173
R	H	CD2	LEU	A	249	L	H	HB2	SER	V	173
R	H	CD2	LEU	A	249	L	H	HB3	SER	V	173
R	H	C	GLY	A	252	L	H	OD2	ASP	V	104
R	H	O	GLY	A	252	L	-	HA	ALA	V	19
R	H	N	PRO	A	253	L	H	CG	ASP	V	104
R	H	N	PRO	A	253	L	H	OD1	ASP	V	104
R	H	N	PRO	A	253	L	H	OD2	ASP	V	104
R	H	CA	PRO	A	253	L	H	CG	ASP	V	104
R	H	CA	PRO	A	253	L	H	OD2	ASP	V	104
R	H	C	PRO	A	253	L	H	OD2	ASP	V	104
R	H	CB	PRO	A	253	L	H	CG	ASP	V	104
R	H	CB	PRO	A	253	L	H	OD1	ASP	V	104
R	H	CB	PRO	A	253	L	H	OD2	ASP	V	104
R	H	CG	PRO	A	253	L	H	CB	ASP	V	104
R	H	CG	PRO	A	253	L	H	CG	ASP	V	104
R	H	CG	PRO	A	253	L	H	OD1	ASP	V	104
R	H	CG	PRO	A	253	L	H	OD2	ASP	V	104
R	H	CG	PRO	A	253	L	H	HB2	ASP	V	104
R	H	CG	PRO	A	253	L	H	HB3	ASP	V	104
R	H	CD	PRO	A	253	L	H	HD1	TYR	V	103
R	H	CD	PRO	A	253	L	H	CG	ASP	V	104
R	H	CD	PRO	A	253	L	H	OD1	ASP	V	104
R	H	CD	PRO	A	253	L	H	OD2	ASP	V	104
R	H	C	ILE	A	255	L	-	HB1	ALA	V	19
R	H	C	ILE	A	255	L	-	HB2	ALA	V	19
R	H	CB	ILE	A	255	L	-	HB2	ALA	V	19
R	H	O	ILE	A	255	L	-	HB1	ALA	V	19
R	H	CG2	ILE	A	255	L	-	CB	ALA	V	19
R	H	CG2	ILE	A	255	L	-	HB2	ALA	V	19
R	H	CD1	ILE	A	255	L	-	CB	ALA	V	17
R	H	CD1	ILE	A	255	L	-	HB2	ALA	V	17
R	H	N	TYR	A	256	L	-	CB	ALA	V	19
R	H	N	TYR	A	256	L	-	HB1	ALA	V	19
R	H	N	TYR	A	256	L	-	HB2	ALA	V	19
R	H	CA	TYR	A	256	L	-	CB	ALA	V	19
R	H	CA	TYR	A	256	L	-	HB1	ALA	V	19
R	H	CA	TYR	A	256	L	-	HB2	ALA	V	19
R	H	CB	TYR	A	256	L	-	O	ALA	V	19
R	H	CB	TYR	A	256	L	-	HB1	ALA	V	19
R	H	CB	TYR	A	256	L	S	HB2	SER	V	102
R	H	CG	TYR	A	256	L	-	O	ALA	V	19
R	H	CG	TYR	A	256	L	-	HB1	ALA	V	19
R	H	CG	TYR	A	256	L	S	CB	SER	V	102
R	H	CG	TYR	A	256	L	S	HB2	SER	V	102
R	H	CG	TYR	A	256	L	S	HB3	SER	V	102
R	H	CD1	TYR	A	256	L	S	CB	SER	V	102
R	H	CD1	TYR	A	256	L	S	HB2	SER	V	102
R	H	CD1	TYR	A	256	L	S	HB3	SER	V	102
R	H	CD2	TYR	A	256	L	-	O	ALA	V	19
R	H	CD2	TYR	A	256	L	-	HB1	ALA	V	19
R	H	CD2	TYR	A	256	L	S	HB3	GLU	V	20
R	H	CD2	TYR	A	256	L	S	CA	SER	V	102
R	H	CD2	TYR	A	256	L	S	CB	SER	V	102
R	H	CD2	TYR	A	256	L	S	HA	SER	V	102
R	H	CD2	TYR	A	256	L	S	HB2	SER	V	102
R	H	CD2	TYR	A	256	L	S	HB3	SER	V	102
R	H	CE1	TYR	A	256	L	S	CB	SER	V	102
R	H	CE1	TYR	A	256	L	S	HB2	SER	V	102
R	H	CE1	TYR	A	256	L	S	HB3	SER	V	102
R	H	CE2	TYR	A	256	L	S	HB3	GLU	V	20
R	H	CE2	TYR	A	256	L	S	N	SER	V	102
R	H	CE2	TYR	A	256	L	S	CA	SER	V	102
R	H	CE2	TYR	A	256	L	S	CB	SER	V	102
R	H	CE2	TYR	A	256	L	S	H	SER	V	102
R	H	CE2	TYR	A	256	L	S	HA	SER	V	102
R	H	CE2	TYR	A	256	L	S	HB2	SER	V	102
R	H	CE2	TYR	A	256	L	S	HB3	SER	V	102
R	H	OH	TYR	A	256	L	S	HB3	SER	V	102
R	H	CZ	TYR	A	256	L	S	CB	SER	V	102
R	H	CZ	TYR	A	256	L	S	HB2	SER	V	102
R	H	CZ	TYR	A	256	L	S	HB3	SER	V	102
R	H	CD1	ILE	A	259	L	-	CB	ALA	V	19
R	H	CD1	ILE	A	259	L	-	HB1	ALA	V	19
R	H	CD1	ILE	A	259	L	-	HB2	ALA	V	19
R	H	CD1	ILE	A	259	L	-	HB3	ALA	V	19
R	-	CE3	TRP	A	260	L	S	CD	GLU	V	20
R	-	CE3	TRP	A	260	L	S	OE1	GLU	V	20
R	-	CE3	TRP	A	260	L	S	OE2	GLU	V	20
R	-	NE1	TRP	A	260	L	-	HZ2	LYS	V	98
R	-	CH2	TRP	A	260	L	S	OE1	GLU	V	20
R	-	CZ3	TRP	A	260	L	S	CD	GLU	V	20
R	-	CZ3	TRP	A	260	L	S	OE1	GLU	V	20
R	-	CZ3	TRP	A	260	L	S	OE2	GLU	V	20
R	-	CA	SER	A	263	L	-	HZ2	LYS	V	98
R	-	CB	SER	A	263	L	-	NZ	LYS	V	98
R	-	CB	SER	A	263	L	-	HZ1	LYS	V	98
R	-	CB	SER	A	263	L	-	HZ2	LYS	V	98
R	-	CB	SER	A	263	L	-	HZ3	LYS	V	98
R	-	OG	SER	A	263	L	-	NZ	LYS	V	98
R	-	OG	SER	A	263	L	-	HZ1	LYS	V	98
R	-	OG	SER	A	263	L	-	HZ2	LYS	V	98
R	-	OG	SER	A	263	L	-	HZ3	LYS	V	98
R	-	O	ARG	A	264	L	-	HZ3	LYS	V	98
R	-	CG	LEU	A	265	L	-	HD2	LYS	V	98
R	-	CG	LEU	A	265	L	-	HD3	LYS	V	98
R	-	CG	LEU	A	265	L	S	HG1	THR	V	100
R	-	CD1	LEU	A	265	L	-	HB3	LYS	V	98
R	-	CD1	LEU	A	265	L	-	HD3	LYS	V	98
R	-	CD1	LEU	A	265	L	S	OG1	THR	V	100
R	-	CD1	LEU	A	265	L	S	HG1	THR	V	100
R	-	CD2	LEU	A	265	L	-	CB	LYS	V	98
R	-	CD2	LEU	A	265	L	-	CG	LYS	V	98
R	-	CD2	LEU	A	265	L	-	CD	LYS	V	98
R	-	CD2	LEU	A	265	L	-	HB2	LYS	V	98
R	-	CD2	LEU	A	265	L	-	HB3	LYS	V	98
R	-	CD2	LEU	A	265	L	-	HD2	LYS	V	98
R	-	CD2	LEU	A	265	L	-	HD3	LYS	V	98
R	-	CD2	LEU	A	265	L	-	HZ3	LYS	V	98
R	-	CD2	LEU	A	265	L	S	HG1	THR	V	100
R	H	CG	PRO	A	266	L	H	HA3	GLY	V	92
R	H	CA	VAL	A	267	L	H	HB1	ALA	V	105
R	H	CA	VAL	A	267	L	H	HB2	ALA	V	105
R	H	C	VAL	A	267	L	H	HB2	ALA	V	105
R	H	CB	VAL	A	267	L	S	HA	ILE	V	101
R	H	CB	VAL	A	267	L	S	HG13	ILE	V	101
R	H	CB	VAL	A	267	L	S	N	SER	V	102
R	H	CB	VAL	A	267	L	S	H	SER	V	102
R	H	CB	VAL	A	267	L	H	CB	ALA	V	105
R	H	CB	VAL	A	267	L	H	HB1	ALA	V	105
R	H	CB	VAL	A	267	L	H	HB2	ALA	V	105
R	H	CB	VAL	A	267	L	H	HB3	ALA	V	105
R	H	O	VAL	A	267	L	S	HG	SER	V	102
R	H	O	VAL	A	267	L	H	CB	ALA	V	105
R	H	O	VAL	A	267	L	H	HB1	ALA	V	105
R	H	O	VAL	A	267	L	H	HB2	ALA	V	105
R	H	CG1	VAL	A	267	L	S	CA	ILE	V	101
R	H	CG1	VAL	A	267	L	S	C	ILE	V	101
R	H	CG1	VAL	A	267	L	S	CG1	ILE	V	101
R	H	CG1	VAL	A	267	L	S	HA	ILE	V	101
R	H	CG1	VAL	A	267	L	S	HG12	ILE	V	101
R	H	CG1	VAL	A	267	L	S	HG13	ILE	V	101
R	H	CG1	VAL	A	267	L	S	N	SER	V	102
R	H	CG1	VAL	A	267	L	S	CA	SER	V	102
R	H	CG1	VAL	A	267	L	S	CB	SER	V	102
R	H	CG1	VAL	A	267	L	S	OG	SER	V	102
R	H	CG1	VAL	A	267	L	S	H	SER	V	102
R	H	CG1	VAL	A	267	L	S	HB3	SER	V	102
R	H	CG1	VAL	A	267	L	S	HG	SER	V	102
R	H	CG1	VAL	A	267	L	H	CB	ALA	V	105
R	H	CG1	VAL	A	267	L	H	H	ALA	V	105
R	H	CG1	VAL	A	267	L	H	HB1	ALA	V	105
R	H	CG1	VAL	A	267	L	H	HB2	ALA	V	105
R	H	CG1	VAL	A	267	L	H	HB3	ALA	V	105
R	H	CG2	VAL	A	267	L	S	O	THR	V	100
R	H	CG2	VAL	A	267	L	S	CA	ILE	V	101
R	H	CG2	VAL	A	267	L	S	CB	ILE	V	101
R	H	CG2	VAL	A	267	L	S	CG1	ILE	V	101
R	H	CG2	VAL	A	267	L	S	HA	ILE	V	101
R	H	CG2	VAL	A	267	L	S	HB	ILE	V	101
R	H	CG2	VAL	A	267	L	S	HG13	ILE	V	101
R	H	CG2	VAL	A	267	L	S	N	SER	V	102
R	H	CG2	VAL	A	267	L	S	H	SER	V	102
R	H	C	PHE	A	270	L	H	HA	ALA	V	105
R	H	C	PHE	A	270	L	H	HB2	ALA	V	105
R	H	CB	PHE	A	270	L	H	CB	ALA	V	105
R	H	CB	PHE	A	270	L	H	HA	ALA	V	105
R	H	CB	PHE	A	270	L	H	HB1	ALA	V	105
R	H	CB	PHE	A	270	L	H	HB2	ALA	V	105
R	H	O	PHE	A	270	L	H	HA	ALA	V	105
R	H	O	PHE	A	270	L	H	OG	SER	V	108
R	H	O	PHE	A	270	L	H	HG	SER	V	108
R	H	CG	PHE	A	270	L	H	HB1	ALA	V	105
R	H	CE2	PHE	A	270	L	H	HB1	ALA	V	89
R	H	CE2	PHE	A	270	L	H	HB2	ALA	V	89
R	H	CZ	PHE	A	270	L	H	HB1	ALA	V	89
R	H	N	LEU	A	271	L	H	HA	ALA	V	105
R	H	N	LEU	A	271	L	H	HB2	ALA	V	105
R	H	CA	LEU	A	271	L	S	HG	SER	V	102
R	H	CA	LEU	A	271	L	H	HB2	ASP	V	104
R	H	CA	LEU	A	271	L	H	HB3	ASP	V	104
R	H	CA	LEU	A	271	L	H	HB2	ALA	V	105
R	H	CB	LEU	A	271	L	S	OG	SER	V	102
R	H	CB	LEU	A	271	L	S	HG	SER	V	102
R	H	CB	LEU	A	271	L	H	HB2	ASP	V	104
R	H	CB	LEU	A	271	L	H	HB2	ALA	V	105
R	H	O	LEU	A	271	L	H	HB3	ASP	V	104
R	H	CG	LEU	A	271	L	S	OG	SER	V	102
R	H	CG	LEU	A	271	L	S	HG	SER	V	102
R	H	CG	LEU	A	271	L	H	CB	ASP	V	104
R	H	CG	LEU	A	271	L	H	CG	ASP	V	104
R	H	CG	LEU	A	271	L	H	OD2	ASP	V	104
R	H	CG	LEU	A	271	L	H	HB2	ASP	V	104
R	H	CG	LEU	A	271	L	H	HB3	ASP	V	104
R	H	CD1	LEU	A	271	L	S	OG	SER	V	102
R	H	CD1	LEU	A	271	L	S	HB2	SER	V	102
R	H	CD1	LEU	A	271	L	S	HG	SER	V	102
R	H	CD1	LEU	A	271	L	H	N	ASP	V	104
R	H	CD1	LEU	A	271	L	H	CA	ASP	V	104
R	H	CD1	LEU	A	271	L	H	C	ASP	V	104
R	H	CD1	LEU	A	271	L	H	CB	ASP	V	104
R	H	CD1	LEU	A	271	L	H	CG	ASP	V	104
R	H	CD1	LEU	A	271	L	H	OD1	ASP	V	104
R	H	CD1	LEU	A	271	L	H	OD2	ASP	V	104
R	H	CD1	LEU	A	271	L	H	H	ASP	V	104
R	H	CD1	LEU	A	271	L	H	HA	ASP	V	104
R	H	CD1	LEU	A	271	L	H	HB2	ASP	V	104
R	H	CD1	LEU	A	271	L	H	HB3	ASP	V	104
R	H	CD1	LEU	A	271	L	H	N	ALA	V	105
R	H	CD1	LEU	A	271	L	H	H	ALA	V	105
R	H	CD2	LEU	A	271	L	S	CB	SER	V	102
R	H	CD2	LEU	A	271	L	S	OG	SER	V	102
R	H	CD2	LEU	A	271	L	S	HB2	SER	V	102
R	H	CD2	LEU	A	271	L	S	HB3	SER	V	102
R	H	CD2	LEU	A	271	L	S	HG	SER	V	102
R	H	CD2	LEU	A	271	L	H	OD2	ASP	V	104
R	H	CD2	LEU	A	271	L	H	HB2	ASP	V	104
R	H	CG1	VAL	A	273	L	H	HE2	PHE	V	112
R	H	CA	PHE	A	274	L	H	OG	SER	V	108
R	H	CB	PHE	A	274	L	H	CB	ASP	V	104
R	H	CB	PHE	A	274	L	H	O	ASP	V	104
R	H	CB	PHE	A	274	L	H	HB3	ASP	V	104
R	H	CB	PHE	A	274	L	H	OG	SER	V	108
R	H	CB	PHE	A	274	L	H	HG	SER	V	108
R	H	CG	PHE	A	274	L	H	CB	ASP	V	104
R	H	CG	PHE	A	274	L	H	O	ASP	V	104
R	H	CG	PHE	A	274	L	H	HA	ASP	V	104
R	H	CG	PHE	A	274	L	H	HB3	ASP	V	104
R	H	CG	PHE	A	274	L	H	OG	SER	V	108
R	H	CG	PHE	A	274	L	H	HG	SER	V	108
R	H	CD1	PHE	A	274	L	H	CB	ASP	V	104
R	H	CD1	PHE	A	274	L	H	CG	ASP	V	104
R	H	CD1	PHE	A	274	L	H	OD1	ASP	V	104
R	H	CD1	PHE	A	274	L	H	HA	ASP	V	104
R	H	CD1	PHE	A	274	L	H	HB3	ASP	V	104
R	H	CD2	PHE	A	274	L	H	O	ASP	V	104
R	H	CD2	PHE	A	274	L	H	HB2	LEU	V	107
R	H	CD2	PHE	A	274	L	H	CB	SER	V	108
R	H	CD2	PHE	A	274	L	H	OG	SER	V	108
R	H	CD2	PHE	A	274	L	H	H	SER	V	108
R	H	CD2	PHE	A	274	L	H	HA	SER	V	108
R	H	CD2	PHE	A	274	L	H	HG	SER	V	108
R	H	CE1	PHE	A	274	L	H	OD1	ASP	V	104
R	H	CE1	PHE	A	274	L	H	HA	ASP	V	104
R	H	CE1	PHE	A	274	L	H	HB3	ASP	V	104
R	H	CE1	PHE	A	274	L	H	HD13	LEU	V	107
R	H	CE2	PHE	A	274	L	H	CB	LEU	V	107
R	H	CE2	PHE	A	274	L	H	HB2	LEU	V	107
R	H	CE2	PHE	A	274	L	H	HB3	LEU	V	107
R	H	CE2	PHE	A	274	L	H	OG	SER	V	108
R	H	CE2	PHE	A	274	L	H	HG	SER	V	108
R	H	CZ	PHE	A	274	L	H	CD1	LEU	V	107
R	H	CZ	PHE	A	274	L	H	HB2	LEU	V	107
R	H	CZ	PHE	A	274	L	H	HB3	LEU	V	107
R	H	CZ	PHE	A	274	L	H	HD12	LEU	V	107
R	H	CZ	PHE	A	274	L	H	HD13	LEU	V	107
R	H	CG	LEU	A	281	L	H	HZ	PHE	V	162
R	H	CD1	LEU	A	281	L	H	HZ	PHE	V	162
R	H	CD2	LEU	A	281	L	H	CZ	PHE	V	162
R	H	CD2	LEU	A	281	L	H	HE2	PHE	V	162
R	H	CD2	LEU	A	281	L	H	HZ	PHE	V	162
R	H	CD2	LEU	A	281	L	H	HD12	LEU	V	166
R	H	CD2	LEU	A	282	L	H	CD1	LEU	V	166
R	H	CD2	LEU	A	282	L	H	HD11	LEU	V	166
R	H	CD2	LEU	A	282	L	H	HD13	LEU	V	166
R	H	CD2	LEU	A	282	L	H	CG2	VAL	V	170
R	H	CD2	LEU	A	282	L	H	HG21	VAL	V	170
R	H	CD2	LEU	A	282	L	H	HG23	VAL	V	170
R	H	CB	ILE	A	285	L	H	HD23	LEU	V	166
R	H	CG1	ILE	A	285	L	H	CD2	LEU	V	166
R	H	CG1	ILE	A	285	L	H	HD23	LEU	V	166
R	H	CG2	ILE	A	285	L	H	HD23	LEU	V	166
R	H	CG2	ILE	A	285	L	H	HG22	VAL	V	170
R	H	CD1	ILE	A	285	L	H	CG	LEU	V	166
R	H	CD1	ILE	A	285	L	H	CD1	LEU	V	166
R	H	CD1	ILE	A	285	L	H	CD2	LEU	V	166
R	H	CD1	ILE	A	285	L	H	HD12	LEU	V	166
R	H	CD1	ILE	A	285	L	H	HD13	LEU	V	166
R	H	CD1	ILE	A	285	L	H	HD21	LEU	V	166
R	H	CD1	ILE	A	285	L	H	HD22	LEU	V	166
R	H	CD1	ILE	A	285	L	H	HD23	LEU	V	166
R	-	NH2	ARG	A	290	L	H	CG1	VAL	V	170
R	-	NH2	ARG	A	290	L	H	HG11	VAL	V	170
R	-	NH2	ARG	A	290	L	H	HG12	VAL	V	170
R	-	NH2	ARG	A	290	L	H	HG13	VAL	V	170
R	-	CZ	ARG	A	290	L	H	HG13	VAL	V	170

- 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