IID

P47893_A6ND48.1 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	GLU	A	20	L	-	PRO	V	180
R	H	GLU	A	20	L	-	GLU	V	182
R	H	VAL	A	23	L	-	GLY	V	179
R	H	VAL	A	23	L	-	PRO	V	180
R	H	LEU	A	24	L	-	PRO	V	180
R	H	GLY	A	27	L	H	GLN	V	195
R	H	VAL	A	271	L	-	GLU	V	274
R	H	LEU	A	274	L	-	GLU	V	274
R	H	THR	A	275	L	-	GLU	V	274
R	H	LEU	A	279	L	-	GLY	V	272
R	H	LEU	A	28	L	H	GLN	V	195
R	H	PHE	A	282	L	-	LEU	V	271
R	H	PHE	A	282	L	-	GLY	V	272
R	H	LEU	A	283	L	-	GLY	V	272
R	H	LEU	A	290	L	H	TYR	V	268
R	H	LEU	A	290	L	H	MET	V	269
R	H	LEU	A	30	L	-	SER	V	197
R	H	LEU	A	30	L	-	CYS	V	198
R	H	LEU	A	30	L	-	SER	V	199
R	H	LEU	A	30	L	-	THR	V	201
R	H	TRP	A	300	L	H	PHE	V	213
R	H	TRP	A	300	L	H	THR	V	218
R	H	PHE	A	303	L	H	PHE	V	209
R	H	PHE	A	303	L	H	ALA	V	210
R	H	PHE	A	303	L	H	PHE	V	213
R	H	PHE	A	303	L	H	ILE	V	214
R	H	TYR	A	307	L	H	ILE	V	214
R	H	LEU	A	31	L	H	PRO	V	191
R	H	LEU	A	31	L	H	PHE	V	194
R	H	LEU	A	31	L	H	GLN	V	195
R	H	LEU	A	31	L	-	THR	V	201
R	H	LEU	A	31	L	H	GLU	V	205
R	H	LEU	A	34	L	-	SER	V	200
R	H	LEU	A	34	L	-	THR	V	201
R	H	LEU	A	34	L	H	GLN	V	202
R	H	LEU	A	34	L	H	GLU	V	205
R	H	ALA	A	35	L	H	GLU	V	205
R	H	LEU	A	37	L	H	GLN	V	202
R	H	VAL	A	38	L	H	GLN	V	202
R	H	VAL	A	38	L	H	LEU	V	206
R	H	LEU	A	41	L	H	GLN	V	202
R	H	LEU	A	42	L	H	PHE	V	209

- 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

P47893_A6ND48.1 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	CA	GLU	A	20	L	-	HB3	PRO	V	180
R	H	CA	GLU	A	20	L	-	HG2	PRO	V	180
R	H	C	GLU	A	20	L	-	HG2	PRO	V	180
R	H	CB	GLU	A	20	L	-	HB2	PRO	V	180
R	H	CB	GLU	A	20	L	-	HB3	PRO	V	180
R	H	CB	GLU	A	20	L	-	HG2	PRO	V	180
R	H	O	GLU	A	20	L	-	CG	PRO	V	180
R	H	O	GLU	A	20	L	-	HB3	PRO	V	180
R	H	O	GLU	A	20	L	-	HG2	PRO	V	180
R	H	O	GLU	A	20	L	-	HD3	PRO	V	180
R	H	CG	GLU	A	20	L	-	HB2	PRO	V	180
R	H	CG	GLU	A	20	L	-	HB3	PRO	V	180
R	H	CG	GLU	A	20	L	-	OE1	GLU	V	182
R	H	CA	VAL	A	23	L	-	HD3	PRO	V	180
R	H	C	VAL	A	23	L	-	HD3	PRO	V	180
R	H	CB	VAL	A	23	L	-	N	PRO	V	180
R	H	CB	VAL	A	23	L	-	CG	PRO	V	180
R	H	CB	VAL	A	23	L	-	CD	PRO	V	180
R	H	CB	VAL	A	23	L	-	HB3	PRO	V	180
R	H	CB	VAL	A	23	L	-	HG2	PRO	V	180
R	H	CB	VAL	A	23	L	-	HD2	PRO	V	180
R	H	CB	VAL	A	23	L	-	HD3	PRO	V	180
R	H	O	VAL	A	23	L	-	HD3	PRO	V	180
R	H	CG1	VAL	A	23	L	-	CA	GLY	V	179
R	H	CG1	VAL	A	23	L	-	C	GLY	V	179
R	H	CG1	VAL	A	23	L	-	O	GLY	V	179
R	H	CG1	VAL	A	23	L	-	HA3	GLY	V	179
R	H	CG1	VAL	A	23	L	-	N	PRO	V	180
R	H	CG1	VAL	A	23	L	-	CA	PRO	V	180
R	H	CG1	VAL	A	23	L	-	CG	PRO	V	180
R	H	CG1	VAL	A	23	L	-	CD	PRO	V	180
R	H	CG1	VAL	A	23	L	-	HB3	PRO	V	180
R	H	CG1	VAL	A	23	L	-	HG2	PRO	V	180
R	H	CG1	VAL	A	23	L	-	HD2	PRO	V	180
R	H	CG1	VAL	A	23	L	-	HD3	PRO	V	180
R	H	CG2	VAL	A	23	L	-	HA3	GLY	V	179
R	H	CG2	VAL	A	23	L	-	HB3	PRO	V	180
R	H	CG2	VAL	A	23	L	-	HD3	PRO	V	180
R	H	N	LEU	A	24	L	-	HG2	PRO	V	180
R	H	N	LEU	A	24	L	-	HD3	PRO	V	180
R	H	N	GLY	A	27	L	H	O	GLN	V	195
R	H	CA	GLY	A	27	L	H	CA	GLN	V	195
R	H	CA	GLY	A	27	L	H	C	GLN	V	195
R	H	CA	GLY	A	27	L	H	CB	GLN	V	195
R	H	CA	GLY	A	27	L	H	O	GLN	V	195
R	H	CA	GLY	A	27	L	H	HA	GLN	V	195
R	H	CA	GLY	A	27	L	H	HB3	GLN	V	195
R	H	C	GLY	A	27	L	H	CA	GLN	V	195
R	H	C	GLY	A	27	L	H	C	GLN	V	195
R	H	C	GLY	A	27	L	H	CB	GLN	V	195
R	H	C	GLY	A	27	L	H	O	GLN	V	195
R	H	C	GLY	A	27	L	H	CG	GLN	V	195
R	H	C	GLY	A	27	L	H	HA	GLN	V	195
R	H	C	GLY	A	27	L	H	HB3	GLN	V	195
R	H	C	GLY	A	27	L	H	HG2	GLN	V	195
R	H	O	GLY	A	27	L	H	CA	GLN	V	195
R	H	O	GLY	A	27	L	H	CB	GLN	V	195
R	H	O	GLY	A	27	L	H	O	GLN	V	195
R	H	O	GLY	A	27	L	H	CG	GLN	V	195
R	H	O	GLY	A	27	L	H	HA	GLN	V	195
R	H	O	GLY	A	27	L	H	HB3	GLN	V	195
R	H	O	GLY	A	27	L	H	HG2	GLN	V	195
R	H	N	LEU	A	28	L	H	HA	GLN	V	195
R	H	N	LEU	A	28	L	H	HB3	GLN	V	195
R	H	N	LEU	A	28	L	H	HG2	GLN	V	195
R	H	CA	LEU	A	28	L	H	HG2	GLN	V	195
R	H	O	LEU	A	30	L	-	HG1	THR	V	201
R	H	CD2	LEU	A	30	L	-	C	SER	V	197
R	H	CD2	LEU	A	30	L	-	O	SER	V	197
R	H	CD2	LEU	A	30	L	-	HA	CYS	V	198
R	H	CD2	LEU	A	30	L	-	O	SER	V	199
R	H	CD2	LEU	A	30	L	-	HG22	THR	V	201
R	H	CA	LEU	A	31	L	-	HG1	THR	V	201
R	H	CA	LEU	A	31	L	H	OE1	GLU	V	205
R	H	C	LEU	A	31	L	H	OE1	GLU	V	205
R	H	CB	LEU	A	31	L	H	CG	GLN	V	195
R	H	CB	LEU	A	31	L	H	HG2	GLN	V	195
R	H	CB	LEU	A	31	L	H	HG3	GLN	V	195
R	H	O	LEU	A	31	L	H	CD	GLU	V	205
R	H	O	LEU	A	31	L	H	OE1	GLU	V	205
R	H	O	LEU	A	31	L	H	OE2	GLU	V	205
R	H	CG	LEU	A	31	L	H	HG3	GLN	V	195
R	H	CG	LEU	A	31	L	H	HE21	GLN	V	195
R	H	CG	LEU	A	31	L	H	OE1	GLU	V	205
R	H	CD1	LEU	A	31	L	H	CB	PHE	V	194
R	H	CD1	LEU	A	31	L	H	CD2	PHE	V	194
R	H	CD1	LEU	A	31	L	H	HB2	PHE	V	194
R	H	CD1	LEU	A	31	L	H	HB3	PHE	V	194
R	H	CD1	LEU	A	31	L	H	HD2	PHE	V	194
R	H	CD1	LEU	A	31	L	H	CG	GLU	V	205
R	H	CD1	LEU	A	31	L	H	CD	GLU	V	205
R	H	CD1	LEU	A	31	L	H	OE1	GLU	V	205
R	H	CD1	LEU	A	31	L	H	HG2	GLU	V	205
R	H	CD2	LEU	A	31	L	H	O	PRO	V	191
R	H	CD2	LEU	A	31	L	H	HB2	PRO	V	191
R	H	CD2	LEU	A	31	L	H	CG	GLN	V	195
R	H	CD2	LEU	A	31	L	H	NE2	GLN	V	195
R	H	CD2	LEU	A	31	L	H	HG2	GLN	V	195
R	H	CD2	LEU	A	31	L	H	HG3	GLN	V	195
R	H	CD2	LEU	A	31	L	H	HE21	GLN	V	195
R	H	CA	LEU	A	34	L	H	OE2	GLU	V	205
R	H	C	LEU	A	34	L	H	CD	GLU	V	205
R	H	C	LEU	A	34	L	H	OE2	GLU	V	205
R	H	CB	LEU	A	34	L	-	OG1	THR	V	201
R	H	CB	LEU	A	34	L	-	HG1	THR	V	201
R	H	CB	LEU	A	34	L	H	HA	GLN	V	202
R	H	CB	LEU	A	34	L	H	HB2	GLN	V	202
R	H	CB	LEU	A	34	L	H	CD	GLU	V	205
R	H	CB	LEU	A	34	L	H	OE1	GLU	V	205
R	H	CB	LEU	A	34	L	H	OE2	GLU	V	205
R	H	O	LEU	A	34	L	H	HG2	GLN	V	202
R	H	O	LEU	A	34	L	H	OE2	GLU	V	205
R	H	CG	LEU	A	34	L	-	OG1	THR	V	201
R	H	CG	LEU	A	34	L	-	H	THR	V	201
R	H	CG	LEU	A	34	L	-	HG1	THR	V	201
R	H	CG	LEU	A	34	L	H	N	GLN	V	202
R	H	CG	LEU	A	34	L	H	H	GLN	V	202
R	H	CG	LEU	A	34	L	H	HA	GLN	V	202
R	H	CG	LEU	A	34	L	H	HB2	GLN	V	202
R	H	CG	LEU	A	34	L	H	OE1	GLU	V	205
R	H	CG	LEU	A	34	L	H	OE2	GLU	V	205
R	H	CD1	LEU	A	34	L	-	HA	SER	V	200
R	H	CD1	LEU	A	34	L	-	N	THR	V	201
R	H	CD1	LEU	A	34	L	-	CA	THR	V	201
R	H	CD1	LEU	A	34	L	-	C	THR	V	201
R	H	CD1	LEU	A	34	L	-	CB	THR	V	201
R	H	CD1	LEU	A	34	L	-	O	THR	V	201
R	H	CD1	LEU	A	34	L	-	CG2	THR	V	201
R	H	CD1	LEU	A	34	L	-	OG1	THR	V	201
R	H	CD1	LEU	A	34	L	-	H	THR	V	201
R	H	CD1	LEU	A	34	L	-	HB	THR	V	201
R	H	CD1	LEU	A	34	L	-	HG1	THR	V	201
R	H	CD1	LEU	A	34	L	-	HG21	THR	V	201
R	H	CD1	LEU	A	34	L	-	HG22	THR	V	201
R	H	CD1	LEU	A	34	L	H	N	GLN	V	202
R	H	CD1	LEU	A	34	L	H	H	GLN	V	202
R	H	CD1	LEU	A	34	L	H	HA	GLN	V	202
R	H	CD1	LEU	A	34	L	H	CD	GLU	V	205
R	H	CD1	LEU	A	34	L	H	OE1	GLU	V	205
R	H	CD2	LEU	A	34	L	-	OG	SER	V	200
R	H	CD2	LEU	A	34	L	-	N	THR	V	201
R	H	CD2	LEU	A	34	L	-	OG1	THR	V	201
R	H	CD2	LEU	A	34	L	-	H	THR	V	201
R	H	CD2	LEU	A	34	L	H	N	GLN	V	202
R	H	CD2	LEU	A	34	L	H	CA	GLN	V	202
R	H	CD2	LEU	A	34	L	H	CB	GLN	V	202
R	H	CD2	LEU	A	34	L	H	H	GLN	V	202
R	H	CD2	LEU	A	34	L	H	HA	GLN	V	202
R	H	CD2	LEU	A	34	L	H	HB2	GLN	V	202
R	H	CD2	LEU	A	34	L	H	HB3	GLN	V	202
R	H	CD2	LEU	A	34	L	H	HG2	GLN	V	202
R	H	N	ALA	A	35	L	H	CD	GLU	V	205
R	H	N	ALA	A	35	L	H	OE2	GLU	V	205
R	H	CA	ALA	A	35	L	H	OE2	GLU	V	205
R	H	CA	LEU	A	37	L	H	HE21	GLN	V	202
R	H	C	LEU	A	37	L	H	HE21	GLN	V	202
R	H	CB	LEU	A	37	L	H	NE2	GLN	V	202
R	H	CB	LEU	A	37	L	H	HE21	GLN	V	202
R	H	CB	LEU	A	37	L	H	HE22	GLN	V	202
R	H	O	LEU	A	37	L	H	HE21	GLN	V	202
R	H	CG	LEU	A	37	L	H	CD	GLN	V	202
R	H	CG	LEU	A	37	L	H	NE2	GLN	V	202
R	H	CG	LEU	A	37	L	H	HE21	GLN	V	202
R	H	CG	LEU	A	37	L	H	HE22	GLN	V	202
R	H	CD1	LEU	A	37	L	H	NE2	GLN	V	202
R	H	CD1	LEU	A	37	L	H	HE21	GLN	V	202
R	H	CD1	LEU	A	37	L	H	HE22	GLN	V	202
R	H	CD2	LEU	A	37	L	H	CD	GLN	V	202
R	H	CD2	LEU	A	37	L	H	NE2	GLN	V	202
R	H	CD2	LEU	A	37	L	H	OE1	GLN	V	202
R	H	CD2	LEU	A	37	L	H	HG2	GLN	V	202
R	H	CD2	LEU	A	37	L	H	HE21	GLN	V	202
R	H	CD2	LEU	A	37	L	H	HE22	GLN	V	202
R	H	N	VAL	A	38	L	H	HG2	GLN	V	202
R	H	N	VAL	A	38	L	H	HE21	GLN	V	202
R	H	CA	VAL	A	38	L	H	HE21	GLN	V	202
R	H	CB	VAL	A	38	L	H	HG2	GLN	V	202
R	H	CB	VAL	A	38	L	H	HB2	LEU	V	206
R	H	CB	VAL	A	38	L	H	HD13	LEU	V	206
R	H	CG1	VAL	A	38	L	H	CB	LEU	V	206
R	H	CG1	VAL	A	38	L	H	CD1	LEU	V	206
R	H	CG1	VAL	A	38	L	H	HA	LEU	V	206
R	H	CG1	VAL	A	38	L	H	HB2	LEU	V	206
R	H	CG1	VAL	A	38	L	H	HD11	LEU	V	206
R	H	CG1	VAL	A	38	L	H	HD13	LEU	V	206
R	H	CG2	VAL	A	38	L	H	O	GLN	V	202
R	H	CG2	VAL	A	38	L	H	CG	GLN	V	202
R	H	CG2	VAL	A	38	L	H	HA	GLN	V	202
R	H	CG2	VAL	A	38	L	H	HG2	GLN	V	202
R	H	CG2	VAL	A	38	L	H	HG3	GLN	V	202
R	H	CG2	VAL	A	38	L	H	HE21	GLN	V	202
R	H	CG2	VAL	A	38	L	H	HB2	LEU	V	206
R	H	CD1	LEU	A	41	L	H	NE2	GLN	V	202
R	H	CD1	LEU	A	41	L	H	HE21	GLN	V	202
R	H	CD1	LEU	A	41	L	H	HE22	GLN	V	202
R	H	CD2	LEU	A	42	L	H	CE1	PHE	V	209
R	H	CD2	LEU	A	42	L	H	HE1	PHE	V	209
R	H	O	VAL	A	271	L	-	OE2	GLU	V	274
R	H	CG1	VAL	A	271	L	-	OE2	GLU	V	274
R	H	CB	LEU	A	274	L	-	CD	GLU	V	274
R	H	CB	LEU	A	274	L	-	OE1	GLU	V	274
R	H	CG	LEU	A	274	L	-	OE1	GLU	V	274
R	H	CD1	LEU	A	274	L	-	OE1	GLU	V	274
R	H	OG1	THR	A	275	L	-	OE2	GLU	V	274
R	H	CD1	LEU	A	279	L	-	O	GLY	V	272
R	H	CD1	PHE	A	282	L	-	CA	GLY	V	272
R	H	CD1	PHE	A	282	L	-	O	GLY	V	272
R	H	CD1	PHE	A	282	L	-	HA2	GLY	V	272
R	H	CD1	PHE	A	282	L	-	HA3	GLY	V	272
R	H	CE1	PHE	A	282	L	-	N	GLY	V	272
R	H	CE1	PHE	A	282	L	-	CA	GLY	V	272
R	H	CE1	PHE	A	282	L	-	C	GLY	V	272
R	H	CE1	PHE	A	282	L	-	O	GLY	V	272
R	H	CE1	PHE	A	282	L	-	HA2	GLY	V	272
R	H	CE1	PHE	A	282	L	-	HA3	GLY	V	272
R	H	CE2	PHE	A	282	L	-	HA3	GLY	V	272
R	H	CZ	PHE	A	282	L	-	C	LEU	V	271
R	H	CZ	PHE	A	282	L	-	O	LEU	V	271
R	H	CZ	PHE	A	282	L	-	N	GLY	V	272
R	H	CZ	PHE	A	282	L	-	CA	GLY	V	272
R	H	CZ	PHE	A	282	L	-	HA2	GLY	V	272
R	H	CZ	PHE	A	282	L	-	HA3	GLY	V	272
R	H	CD2	LEU	A	283	L	-	HA2	GLY	V	272
R	H	CG	LEU	A	290	L	H	HE1	TYR	V	268
R	H	CD1	LEU	A	290	L	H	CE1	TYR	V	268
R	H	CD1	LEU	A	290	L	H	HE1	TYR	V	268
R	H	CD1	LEU	A	290	L	H	HG2	MET	V	269
R	H	CD2	LEU	A	290	L	H	CE1	TYR	V	268
R	H	CD2	LEU	A	290	L	H	HE1	TYR	V	268
R	H	CG	TRP	A	300	L	H	HE1	PHE	V	213
R	H	CD2	TRP	A	300	L	H	HE1	PHE	V	213
R	H	CE3	TRP	A	300	L	H	CD1	PHE	V	213
R	H	CE3	TRP	A	300	L	H	CE1	PHE	V	213
R	H	CE3	TRP	A	300	L	H	CZ	PHE	V	213
R	H	CE3	TRP	A	300	L	H	HE1	PHE	V	213
R	H	CE3	TRP	A	300	L	H	HZ	PHE	V	213
R	H	CH2	TRP	A	300	L	H	HE1	PHE	V	213
R	H	CH2	TRP	A	300	L	H	OG1	THR	V	218
R	H	CZ3	TRP	A	300	L	H	CD1	PHE	V	213
R	H	CZ3	TRP	A	300	L	H	CE1	PHE	V	213
R	H	CZ3	TRP	A	300	L	H	HD1	PHE	V	213
R	H	CZ3	TRP	A	300	L	H	HE1	PHE	V	213
R	H	CB	PHE	A	303	L	H	HD11	ILE	V	214
R	H	CD1	PHE	A	303	L	H	HA	ALA	V	210
R	H	CD1	PHE	A	303	L	H	HB1	ALA	V	210
R	H	CD1	PHE	A	303	L	H	HB3	ALA	V	210
R	H	CD2	PHE	A	303	L	H	HD1	PHE	V	213
R	H	CE1	PHE	A	303	L	H	CA	ALA	V	210
R	H	CE1	PHE	A	303	L	H	CB	ALA	V	210
R	H	CE1	PHE	A	303	L	H	HA	ALA	V	210
R	H	CE1	PHE	A	303	L	H	HB1	ALA	V	210
R	H	CE1	PHE	A	303	L	H	HB3	ALA	V	210
R	H	CE2	PHE	A	303	L	H	HE1	PHE	V	209
R	H	CZ	PHE	A	303	L	H	CE1	PHE	V	209
R	H	CZ	PHE	A	303	L	H	HD1	PHE	V	209
R	H	CZ	PHE	A	303	L	H	HE1	PHE	V	209
R	H	CZ	PHE	A	303	L	H	HA	ALA	V	210
R	H	CZ	PHE	A	303	L	H	HB3	ALA	V	210
R	H	CD2	TYR	A	307	L	H	HD12	ILE	V	214

- 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