IID

Q96R48_Q96RD0.91 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	193	L	H	ARG	V	227
R	H	TYR	A	193	L	-	GLN	V	229
R	H	GLU	A	196	L	H	ARG	V	227
R	H	VAL	A	197	L	H	ARG	V	227
R	H	VAL	A	198	L	H	ARG	V	227
R	H	LEU	A	200	L	H	ARG	V	220
R	H	LEU	A	200	L	H	ALA	V	223
R	H	LEU	A	200	L	H	ALA	V	224
R	H	LEU	A	200	L	H	ARG	V	227
R	H	ILE	A	201	L	H	CYS	V	127
R	H	ILE	A	201	L	-	HIS	V	128
R	H	VAL	A	202	L	-	HIS	V	128
R	H	VAL	A	203	L	H	ARG	V	220
R	H	GLY	A	204	L	H	TYR	V	123
R	H	GLY	A	204	L	-	HIS	V	128
R	H	GLY	A	204	L	H	ARG	V	220
R	H	THR	A	205	L	H	TYR	V	123
R	H	THR	A	205	L	-	HIS	V	128
R	H	ILE	A	207	L	H	VAL	V	216
R	H	ILE	A	207	L	H	ARG	V	220
R	H	THR	A	208	L	H	TYR	V	120
R	H	THR	A	208	L	H	TYR	V	123
R	H	THR	A	208	L	H	MET	V	124
R	H	THR	A	208	L	H	ARG	V	220
R	H	VAL	A	209	L	H	TYR	V	120
R	H	VAL	A	209	L	H	MET	V	124
R	H	SER	A	211	L	H	LEU	V	213
R	H	CYS	A	212	L	H	TYR	V	120
R	H	CYS	A	212	L	H	LEU	V	213
R	H	LEU	A	215	L	H	GLY	V	209
R	H	LEU	A	215	L	H	PRO	V	210
R	H	LEU	A	215	L	H	LEU	V	213
R	H	ILE	A	216	L	H	MET	V	117
R	H	ILE	A	216	L	H	LEU	V	144
R	H	VAL	A	219	L	H	LEU	V	113
R	H	VAL	A	219	L	H	CYS	V	151
R	H	VAL	A	219	L	H	PHE	V	205
R	H	VAL	A	219	L	H	ILE	V	206
R	H	PHE	A	220	L	H	THR	V	147
R	H	PHE	A	220	L	H	ALA	V	150
R	H	PHE	A	220	L	H	CYS	V	151
R	H	VAL	A	222	L	H	PHE	V	205
R	H	THR	A	223	L	H	CYS	V	151
R	H	THR	A	223	L	H	LEU	V	154
R	H	THR	A	223	L	H	LEU	V	155
R	H	THR	A	223	L	H	VAL	V	158
R	H	LEU	A	226	L	H	LEU	V	155
R	H	LEU	A	226	L	H	VAL	V	158
R	H	LEU	A	226	L	H	VAL	V	198
R	-	HIS	A	227	L	H	LEU	V	154
R	-	HIS	A	227	L	H	LEU	V	155
R	-	HIS	A	227	L	H	LEU	V	157
R	-	HIS	A	227	L	H	VAL	V	158
R	-	LYS	A	229	L	H	ARG	V	165
R	H	ARG	A	234	L	H	LEU	V	194
R	H	TYR	A	259	L	H	ARG	V	220

- 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

Q96R48_Q96RD0.91 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	CE1	TYR	A	193	L	-	HE21	GLN	V	229
R	H	CE2	TYR	A	193	L	H	HB2	ARG	V	227
R	H	OH	TYR	A	193	L	H	O	ARG	V	227
R	H	OH	TYR	A	193	L	H	HB2	ARG	V	227
R	H	OH	TYR	A	193	L	-	NE2	GLN	V	229
R	H	OH	TYR	A	193	L	-	HG2	GLN	V	229
R	H	OH	TYR	A	193	L	-	HE21	GLN	V	229
R	H	CZ	TYR	A	193	L	-	HE21	GLN	V	229
R	H	CA	GLU	A	196	L	H	NH1	ARG	V	227
R	H	CA	GLU	A	196	L	H	NH2	ARG	V	227
R	H	CA	GLU	A	196	L	H	HH12	ARG	V	227
R	H	CA	GLU	A	196	L	H	HH22	ARG	V	227
R	H	C	GLU	A	196	L	H	NH1	ARG	V	227
R	H	C	GLU	A	196	L	H	NH2	ARG	V	227
R	H	C	GLU	A	196	L	H	CZ	ARG	V	227
R	H	C	GLU	A	196	L	H	HH11	ARG	V	227
R	H	C	GLU	A	196	L	H	HH12	ARG	V	227
R	H	C	GLU	A	196	L	H	HH22	ARG	V	227
R	H	CB	GLU	A	196	L	H	NH2	ARG	V	227
R	H	CB	GLU	A	196	L	H	CZ	ARG	V	227
R	H	CB	GLU	A	196	L	H	HH21	ARG	V	227
R	H	CB	GLU	A	196	L	H	HH22	ARG	V	227
R	H	O	GLU	A	196	L	H	NH1	ARG	V	227
R	H	O	GLU	A	196	L	H	NH2	ARG	V	227
R	H	O	GLU	A	196	L	H	CZ	ARG	V	227
R	H	O	GLU	A	196	L	H	HH11	ARG	V	227
R	H	O	GLU	A	196	L	H	HH12	ARG	V	227
R	H	O	GLU	A	196	L	H	HH21	ARG	V	227
R	H	O	GLU	A	196	L	H	HH22	ARG	V	227
R	H	N	VAL	A	197	L	H	NH1	ARG	V	227
R	H	N	VAL	A	197	L	H	CZ	ARG	V	227
R	H	N	VAL	A	197	L	H	HH11	ARG	V	227
R	H	N	VAL	A	197	L	H	HH12	ARG	V	227
R	H	N	VAL	A	197	L	H	HH22	ARG	V	227
R	H	CA	VAL	A	197	L	H	NH1	ARG	V	227
R	H	CA	VAL	A	197	L	H	CZ	ARG	V	227
R	H	CA	VAL	A	197	L	H	HD2	ARG	V	227
R	H	CA	VAL	A	197	L	H	HH11	ARG	V	227
R	H	CA	VAL	A	197	L	H	HH12	ARG	V	227
R	H	C	VAL	A	197	L	H	NH1	ARG	V	227
R	H	C	VAL	A	197	L	H	HH11	ARG	V	227
R	H	C	VAL	A	197	L	H	HH12	ARG	V	227
R	H	CB	VAL	A	197	L	H	NH1	ARG	V	227
R	H	CB	VAL	A	197	L	H	HD2	ARG	V	227
R	H	CB	VAL	A	197	L	H	HH11	ARG	V	227
R	H	O	VAL	A	197	L	H	NH1	ARG	V	227
R	H	O	VAL	A	197	L	H	HH11	ARG	V	227
R	H	O	VAL	A	197	L	H	HH12	ARG	V	227
R	H	CG1	VAL	A	197	L	H	HH11	ARG	V	227
R	H	CG2	VAL	A	197	L	H	NH1	ARG	V	227
R	H	CG2	VAL	A	197	L	H	HD2	ARG	V	227
R	H	CG2	VAL	A	197	L	H	HH11	ARG	V	227
R	H	N	VAL	A	198	L	H	HH12	ARG	V	227
R	H	N	LEU	A	200	L	H	NH1	ARG	V	227
R	H	N	LEU	A	200	L	H	HH12	ARG	V	227
R	H	N	LEU	A	200	L	H	HH22	ARG	V	227
R	H	CA	LEU	A	200	L	H	NH1	ARG	V	227
R	H	CA	LEU	A	200	L	H	HH12	ARG	V	227
R	H	CB	LEU	A	200	L	H	NH1	ARG	V	227
R	H	CB	LEU	A	200	L	H	NH2	ARG	V	227
R	H	CB	LEU	A	200	L	H	CZ	ARG	V	227
R	H	CB	LEU	A	200	L	H	HH11	ARG	V	227
R	H	CB	LEU	A	200	L	H	HH12	ARG	V	227
R	H	CB	LEU	A	200	L	H	HH22	ARG	V	227
R	H	CG	LEU	A	200	L	H	HA	ALA	V	224
R	H	CG	LEU	A	200	L	H	HB3	ALA	V	224
R	H	CG	LEU	A	200	L	H	NH1	ARG	V	227
R	H	CG	LEU	A	200	L	H	HD3	ARG	V	227
R	H	CG	LEU	A	200	L	H	HH11	ARG	V	227
R	H	CG	LEU	A	200	L	H	HH12	ARG	V	227
R	H	CD1	LEU	A	200	L	H	O	ARG	V	220
R	H	CD1	LEU	A	200	L	H	HA	ARG	V	220
R	H	CD1	LEU	A	200	L	H	HD3	ARG	V	220
R	H	CD1	LEU	A	200	L	H	HH11	ARG	V	220
R	H	CD1	LEU	A	200	L	H	CB	ALA	V	223
R	H	CD1	LEU	A	200	L	H	HB1	ALA	V	223
R	H	CD1	LEU	A	200	L	H	HB3	ALA	V	223
R	H	CD1	LEU	A	200	L	H	HB3	ALA	V	224
R	H	CD2	LEU	A	200	L	H	C	ALA	V	223
R	H	CD2	LEU	A	200	L	H	N	ALA	V	224
R	H	CD2	LEU	A	200	L	H	CA	ALA	V	224
R	H	CD2	LEU	A	200	L	H	CB	ALA	V	224
R	H	CD2	LEU	A	200	L	H	H	ALA	V	224
R	H	CD2	LEU	A	200	L	H	HA	ALA	V	224
R	H	CD2	LEU	A	200	L	H	HB1	ALA	V	224
R	H	CD2	LEU	A	200	L	H	HB3	ALA	V	224
R	H	CD2	LEU	A	200	L	H	CD	ARG	V	227
R	H	CD2	LEU	A	200	L	H	NE	ARG	V	227
R	H	CD2	LEU	A	200	L	H	NH1	ARG	V	227
R	H	CD2	LEU	A	200	L	H	CZ	ARG	V	227
R	H	CD2	LEU	A	200	L	H	HD3	ARG	V	227
R	H	CD2	LEU	A	200	L	H	HH11	ARG	V	227
R	H	CD2	LEU	A	200	L	H	HH12	ARG	V	227
R	H	CA	ILE	A	201	L	-	CE1	HIS	V	128
R	H	CA	ILE	A	201	L	-	HE1	HIS	V	128
R	H	C	ILE	A	201	L	-	CE1	HIS	V	128
R	H	C	ILE	A	201	L	-	HE1	HIS	V	128
R	H	CB	ILE	A	201	L	-	HE1	HIS	V	128
R	H	O	ILE	A	201	L	-	ND1	HIS	V	128
R	H	O	ILE	A	201	L	-	CE1	HIS	V	128
R	H	O	ILE	A	201	L	-	NE2	HIS	V	128
R	H	O	ILE	A	201	L	-	HE1	HIS	V	128
R	H	O	ILE	A	201	L	-	HE2	HIS	V	128
R	H	CG1	ILE	A	201	L	H	O	CYS	V	127
R	H	CG2	ILE	A	201	L	-	ND1	HIS	V	128
R	H	CG2	ILE	A	201	L	-	CE1	HIS	V	128
R	H	CG2	ILE	A	201	L	-	HE1	HIS	V	128
R	H	N	VAL	A	202	L	-	HE1	HIS	V	128
R	H	CB	VAL	A	203	L	H	HH12	ARG	V	220
R	H	CB	VAL	A	203	L	H	HH22	ARG	V	220
R	H	CG1	VAL	A	203	L	H	NH1	ARG	V	220
R	H	CG1	VAL	A	203	L	H	NH2	ARG	V	220
R	H	CG1	VAL	A	203	L	H	CZ	ARG	V	220
R	H	CG1	VAL	A	203	L	H	HH12	ARG	V	220
R	H	CG1	VAL	A	203	L	H	HH21	ARG	V	220
R	H	CG1	VAL	A	203	L	H	HH22	ARG	V	220
R	H	CA	GLY	A	204	L	H	OH	TYR	V	123
R	H	CA	GLY	A	204	L	H	HH	TYR	V	123
R	H	CA	GLY	A	204	L	-	HE2	HIS	V	128
R	H	CA	GLY	A	204	L	H	HG3	ARG	V	220
R	H	CA	GLY	A	204	L	H	HD3	ARG	V	220
R	H	C	GLY	A	204	L	H	OH	TYR	V	123
R	H	C	GLY	A	204	L	H	CZ	TYR	V	123
R	H	C	GLY	A	204	L	H	HH	TYR	V	123
R	H	C	GLY	A	204	L	-	NE2	HIS	V	128
R	H	C	GLY	A	204	L	-	HE2	HIS	V	128
R	H	O	GLY	A	204	L	H	CE1	TYR	V	123
R	H	O	GLY	A	204	L	H	OH	TYR	V	123
R	H	O	GLY	A	204	L	H	CZ	TYR	V	123
R	H	O	GLY	A	204	L	H	HE1	TYR	V	123
R	H	O	GLY	A	204	L	H	HH	TYR	V	123
R	H	O	GLY	A	204	L	-	HE2	HIS	V	128
R	H	N	THR	A	205	L	H	OH	TYR	V	123
R	H	N	THR	A	205	L	H	HH	TYR	V	123
R	H	N	THR	A	205	L	-	CE1	HIS	V	128
R	H	N	THR	A	205	L	-	NE2	HIS	V	128
R	H	N	THR	A	205	L	-	HE1	HIS	V	128
R	H	N	THR	A	205	L	-	HE2	HIS	V	128
R	H	CA	THR	A	205	L	H	OH	TYR	V	123
R	H	CA	THR	A	205	L	H	HH	TYR	V	123
R	H	CA	THR	A	205	L	-	CE1	HIS	V	128
R	H	CA	THR	A	205	L	-	NE2	HIS	V	128
R	H	CA	THR	A	205	L	-	HE1	HIS	V	128
R	H	CA	THR	A	205	L	-	HE2	HIS	V	128
R	H	C	THR	A	205	L	H	HH	TYR	V	123
R	H	CB	THR	A	205	L	-	ND1	HIS	V	128
R	H	CB	THR	A	205	L	-	CE1	HIS	V	128
R	H	CB	THR	A	205	L	-	NE2	HIS	V	128
R	H	CB	THR	A	205	L	-	HE1	HIS	V	128
R	H	CB	THR	A	205	L	-	HE2	HIS	V	128
R	H	O	THR	A	205	L	H	HH	TYR	V	123
R	H	OG1	THR	A	205	L	-	CG	HIS	V	128
R	H	OG1	THR	A	205	L	-	CD2	HIS	V	128
R	H	OG1	THR	A	205	L	-	ND1	HIS	V	128
R	H	OG1	THR	A	205	L	-	CE1	HIS	V	128
R	H	OG1	THR	A	205	L	-	NE2	HIS	V	128
R	H	OG1	THR	A	205	L	-	HE1	HIS	V	128
R	H	OG1	THR	A	205	L	-	HE2	HIS	V	128
R	H	CB	ILE	A	207	L	H	HH21	ARG	V	220
R	H	CG1	ILE	A	207	L	H	HH21	ARG	V	220
R	H	CG2	ILE	A	207	L	H	HG13	VAL	V	216
R	H	CG2	ILE	A	207	L	H	HH21	ARG	V	220
R	H	CD1	ILE	A	207	L	H	NH2	ARG	V	220
R	H	CD1	ILE	A	207	L	H	CZ	ARG	V	220
R	H	CD1	ILE	A	207	L	H	HE	ARG	V	220
R	H	CD1	ILE	A	207	L	H	HH21	ARG	V	220
R	H	CD1	ILE	A	207	L	H	HH22	ARG	V	220
R	H	N	THR	A	208	L	H	HH	TYR	V	123
R	H	CA	THR	A	208	L	H	HE1	TYR	V	123
R	H	CA	THR	A	208	L	H	HH	TYR	V	123
R	H	C	THR	A	208	L	H	HE2	TYR	V	120
R	H	C	THR	A	208	L	H	HE1	TYR	V	123
R	H	CB	THR	A	208	L	H	HE2	TYR	V	120
R	H	CB	THR	A	208	L	H	CD1	TYR	V	123
R	H	CB	THR	A	208	L	H	CE1	TYR	V	123
R	H	CB	THR	A	208	L	H	OH	TYR	V	123
R	H	CB	THR	A	208	L	H	CZ	TYR	V	123
R	H	CB	THR	A	208	L	H	HD1	TYR	V	123
R	H	CB	THR	A	208	L	H	HE1	TYR	V	123
R	H	CB	THR	A	208	L	H	HH	TYR	V	123
R	H	O	THR	A	208	L	H	HE2	TYR	V	120
R	H	CG2	THR	A	208	L	H	CD2	TYR	V	120
R	H	CG2	THR	A	208	L	H	CE2	TYR	V	120
R	H	CG2	THR	A	208	L	H	HD2	TYR	V	120
R	H	CG2	THR	A	208	L	H	HE2	TYR	V	120
R	H	CG2	THR	A	208	L	H	CG	TYR	V	123
R	H	CG2	THR	A	208	L	H	CD1	TYR	V	123
R	H	CG2	THR	A	208	L	H	CE1	TYR	V	123
R	H	CG2	THR	A	208	L	H	CZ	TYR	V	123
R	H	CG2	THR	A	208	L	H	HD1	TYR	V	123
R	H	CG2	THR	A	208	L	H	HE1	TYR	V	123
R	H	CG2	THR	A	208	L	H	HH	TYR	V	123
R	H	CG2	THR	A	208	L	H	HE2	MET	V	124
R	H	OG1	THR	A	208	L	H	CD1	TYR	V	123
R	H	OG1	THR	A	208	L	H	CE1	TYR	V	123
R	H	OG1	THR	A	208	L	H	CE2	TYR	V	123
R	H	OG1	THR	A	208	L	H	OH	TYR	V	123
R	H	OG1	THR	A	208	L	H	CZ	TYR	V	123
R	H	OG1	THR	A	208	L	H	HE1	TYR	V	123
R	H	OG1	THR	A	208	L	H	HE2	TYR	V	123
R	H	OG1	THR	A	208	L	H	HH	TYR	V	123
R	H	OG1	THR	A	208	L	H	HG3	ARG	V	220
R	H	N	VAL	A	209	L	H	HE2	TYR	V	120
R	H	CA	VAL	A	209	L	H	HE2	TYR	V	120
R	H	CG2	VAL	A	209	L	H	OH	TYR	V	120
R	H	CG2	VAL	A	209	L	H	HE1	MET	V	124
R	H	C	SER	A	211	L	H	HD22	LEU	V	213
R	H	C	SER	A	211	L	H	HD23	LEU	V	213
R	H	CB	SER	A	211	L	H	HD21	LEU	V	213
R	H	CB	SER	A	211	L	H	HD22	LEU	V	213
R	H	CB	SER	A	211	L	H	HD23	LEU	V	213
R	H	O	SER	A	211	L	H	HD22	LEU	V	213
R	H	O	SER	A	211	L	H	HD23	LEU	V	213
R	H	N	CYS	A	212	L	H	HD22	LEU	V	213
R	H	CA	CYS	A	212	L	H	HD22	LEU	V	213
R	H	SG	CYS	A	212	L	H	CD2	TYR	V	120
R	H	SG	CYS	A	212	L	H	CE2	TYR	V	120
R	H	SG	CYS	A	212	L	H	HB3	TYR	V	120
R	H	SG	CYS	A	212	L	H	HD2	TYR	V	120
R	H	SG	CYS	A	212	L	H	HE2	TYR	V	120
R	H	SG	CYS	A	212	L	H	HD22	LEU	V	213
R	H	CA	LEU	A	215	L	H	HD13	LEU	V	213
R	H	CB	LEU	A	215	L	H	CD1	LEU	V	213
R	H	CB	LEU	A	215	L	H	HD11	LEU	V	213
R	H	CB	LEU	A	215	L	H	HD12	LEU	V	213
R	H	CB	LEU	A	215	L	H	HD13	LEU	V	213
R	H	CB	LEU	A	215	L	H	HD23	LEU	V	213
R	H	CG	LEU	A	215	L	H	CG	LEU	V	213
R	H	CG	LEU	A	215	L	H	CD1	LEU	V	213
R	H	CG	LEU	A	215	L	H	HG	LEU	V	213
R	H	CG	LEU	A	215	L	H	HD11	LEU	V	213
R	H	CG	LEU	A	215	L	H	HD12	LEU	V	213
R	H	CG	LEU	A	215	L	H	HD13	LEU	V	213
R	H	CG	LEU	A	215	L	H	HD23	LEU	V	213
R	H	CD1	LEU	A	215	L	H	HA3	GLY	V	209
R	H	CD1	LEU	A	215	L	H	HD2	PRO	V	210
R	H	CD1	LEU	A	215	L	H	CD1	LEU	V	213
R	H	CD1	LEU	A	215	L	H	HD11	LEU	V	213
R	H	CD1	LEU	A	215	L	H	HD13	LEU	V	213
R	H	CD2	LEU	A	215	L	H	HA	PRO	V	210
R	H	CD2	LEU	A	215	L	H	HG3	PRO	V	210
R	H	CD2	LEU	A	215	L	H	CB	LEU	V	213
R	H	CD2	LEU	A	215	L	H	CG	LEU	V	213
R	H	CD2	LEU	A	215	L	H	CD1	LEU	V	213
R	H	CD2	LEU	A	215	L	H	CD2	LEU	V	213
R	H	CD2	LEU	A	215	L	H	HB2	LEU	V	213
R	H	CD2	LEU	A	215	L	H	HG	LEU	V	213
R	H	CD2	LEU	A	215	L	H	HD11	LEU	V	213
R	H	CD2	LEU	A	215	L	H	HD12	LEU	V	213
R	H	CD2	LEU	A	215	L	H	HD13	LEU	V	213
R	H	CD2	LEU	A	215	L	H	HD22	LEU	V	213
R	H	CD2	LEU	A	215	L	H	HD23	LEU	V	213
R	H	CG1	ILE	A	216	L	H	CE	MET	V	117
R	H	CG1	ILE	A	216	L	H	HE1	MET	V	117
R	H	CD1	ILE	A	216	L	H	CE	MET	V	117
R	H	CD1	ILE	A	216	L	H	HE1	MET	V	117
R	H	CD1	ILE	A	216	L	H	CD2	LEU	V	144
R	H	CD1	ILE	A	216	L	H	HD21	LEU	V	144
R	H	CD1	ILE	A	216	L	H	HD22	LEU	V	144
R	H	CD1	ILE	A	216	L	H	HD23	LEU	V	144
R	H	CA	VAL	A	219	L	H	HG	CYS	V	151
R	H	C	VAL	A	219	L	H	HG	CYS	V	151
R	H	CB	VAL	A	219	L	H	HG	CYS	V	151
R	H	O	VAL	A	219	L	H	SG	CYS	V	151
R	H	O	VAL	A	219	L	H	HG	CYS	V	151
R	H	CG1	VAL	A	219	L	H	HD12	LEU	V	113
R	H	CG1	VAL	A	219	L	H	HD23	LEU	V	113
R	H	CG1	VAL	A	219	L	H	SG	CYS	V	151
R	H	CG1	VAL	A	219	L	H	HG	CYS	V	151
R	H	CG1	VAL	A	219	L	H	CD1	ILE	V	206
R	H	CG1	VAL	A	219	L	H	HD11	ILE	V	206
R	H	CG1	VAL	A	219	L	H	HD12	ILE	V	206
R	H	CG2	VAL	A	219	L	H	HB3	PHE	V	205
R	H	N	PHE	A	220	L	H	HG	CYS	V	151
R	H	CG	PHE	A	220	L	H	HB2	CYS	V	151
R	H	CD1	PHE	A	220	L	H	CB	CYS	V	151
R	H	CD1	PHE	A	220	L	H	HA	CYS	V	151
R	H	CD1	PHE	A	220	L	H	HB2	CYS	V	151
R	H	CD2	PHE	A	220	L	H	HB	THR	V	147
R	H	CD2	PHE	A	220	L	H	HB2	CYS	V	151
R	H	CE1	PHE	A	220	L	H	CA	THR	V	147
R	H	CE1	PHE	A	220	L	H	C	THR	V	147
R	H	CE1	PHE	A	220	L	H	CB	THR	V	147
R	H	CE1	PHE	A	220	L	H	O	THR	V	147
R	H	CE1	PHE	A	220	L	H	HA	THR	V	147
R	H	CE1	PHE	A	220	L	H	HB	THR	V	147
R	H	CE1	PHE	A	220	L	H	HG23	THR	V	147
R	H	CE1	PHE	A	220	L	H	HB3	ALA	V	150
R	H	CE1	PHE	A	220	L	H	N	CYS	V	151
R	H	CE1	PHE	A	220	L	H	CA	CYS	V	151
R	H	CE1	PHE	A	220	L	H	CB	CYS	V	151
R	H	CE1	PHE	A	220	L	H	H	CYS	V	151
R	H	CE1	PHE	A	220	L	H	HA	CYS	V	151
R	H	CE1	PHE	A	220	L	H	HB2	CYS	V	151
R	H	CE1	PHE	A	220	L	H	HB3	CYS	V	151
R	H	CE2	PHE	A	220	L	H	CA	THR	V	147
R	H	CE2	PHE	A	220	L	H	CB	THR	V	147
R	H	CE2	PHE	A	220	L	H	O	THR	V	147
R	H	CE2	PHE	A	220	L	H	CG2	THR	V	147
R	H	CE2	PHE	A	220	L	H	OG1	THR	V	147
R	H	CE2	PHE	A	220	L	H	HB	THR	V	147
R	H	CE2	PHE	A	220	L	H	HG21	THR	V	147
R	H	CE2	PHE	A	220	L	H	HG23	THR	V	147
R	H	CE2	PHE	A	220	L	H	HB2	CYS	V	151
R	H	CZ	PHE	A	220	L	H	CA	THR	V	147
R	H	CZ	PHE	A	220	L	H	C	THR	V	147
R	H	CZ	PHE	A	220	L	H	CB	THR	V	147
R	H	CZ	PHE	A	220	L	H	O	THR	V	147
R	H	CZ	PHE	A	220	L	H	CG2	THR	V	147
R	H	CZ	PHE	A	220	L	H	OG1	THR	V	147
R	H	CZ	PHE	A	220	L	H	HA	THR	V	147
R	H	CZ	PHE	A	220	L	H	HB	THR	V	147
R	H	CZ	PHE	A	220	L	H	HG21	THR	V	147
R	H	CZ	PHE	A	220	L	H	HG23	THR	V	147
R	H	CZ	PHE	A	220	L	H	HB3	ALA	V	150
R	H	CZ	PHE	A	220	L	H	CB	CYS	V	151
R	H	CZ	PHE	A	220	L	H	H	CYS	V	151
R	H	CZ	PHE	A	220	L	H	HB2	CYS	V	151
R	H	CG1	VAL	A	222	L	H	CD2	PHE	V	205
R	H	CG1	VAL	A	222	L	H	CE2	PHE	V	205
R	H	CG1	VAL	A	222	L	H	HD2	PHE	V	205
R	H	CG1	VAL	A	222	L	H	HE2	PHE	V	205
R	H	CG2	VAL	A	222	L	H	CE1	PHE	V	205
R	H	CG2	VAL	A	222	L	H	CE2	PHE	V	205
R	H	CG2	VAL	A	222	L	H	CZ	PHE	V	205
R	H	CG2	VAL	A	222	L	H	HZ	PHE	V	205
R	H	CA	THR	A	223	L	H	HD13	LEU	V	155
R	H	CB	THR	A	223	L	H	HB2	LEU	V	155
R	H	O	THR	A	223	L	H	HG22	VAL	V	158
R	H	CG2	THR	A	223	L	H	O	CYS	V	151
R	H	CG2	THR	A	223	L	H	HA	CYS	V	151
R	H	CG2	THR	A	223	L	H	C	LEU	V	154
R	H	CG2	THR	A	223	L	H	CB	LEU	V	154
R	H	CG2	THR	A	223	L	H	HB2	LEU	V	154
R	H	CG2	THR	A	223	L	H	HB3	LEU	V	154
R	H	CG2	THR	A	223	L	H	HD13	LEU	V	154
R	H	CG2	THR	A	223	L	H	N	LEU	V	155
R	H	CG2	THR	A	223	L	H	CA	LEU	V	155
R	H	CG2	THR	A	223	L	H	H	LEU	V	155
R	H	CG2	THR	A	223	L	H	HA	LEU	V	155
R	H	CG2	THR	A	223	L	H	HB2	LEU	V	155
R	H	OG1	THR	A	223	L	H	SG	CYS	V	151
R	H	OG1	THR	A	223	L	H	HB2	LEU	V	155
R	H	OG1	THR	A	223	L	H	HD13	LEU	V	155
R	H	OG1	THR	A	223	L	H	HD23	LEU	V	155
R	H	CA	LEU	A	226	L	H	HG12	VAL	V	158
R	H	CA	LEU	A	226	L	H	HG22	VAL	V	158
R	H	CA	LEU	A	226	L	H	HG23	VAL	V	158
R	H	C	LEU	A	226	L	H	CG1	VAL	V	158
R	H	C	LEU	A	226	L	H	CG2	VAL	V	158
R	H	C	LEU	A	226	L	H	HG12	VAL	V	158
R	H	C	LEU	A	226	L	H	HG13	VAL	V	158
R	H	C	LEU	A	226	L	H	HG22	VAL	V	158
R	H	C	LEU	A	226	L	H	HG23	VAL	V	158
R	H	CB	LEU	A	226	L	H	CG1	VAL	V	158
R	H	CB	LEU	A	226	L	H	CG2	VAL	V	158
R	H	CB	LEU	A	226	L	H	HG12	VAL	V	158
R	H	CB	LEU	A	226	L	H	HG13	VAL	V	158
R	H	CB	LEU	A	226	L	H	HG22	VAL	V	158
R	H	CB	LEU	A	226	L	H	HG23	VAL	V	158
R	H	O	LEU	A	226	L	H	CG1	VAL	V	158
R	H	O	LEU	A	226	L	H	CG2	VAL	V	158
R	H	O	LEU	A	226	L	H	HG12	VAL	V	158
R	H	O	LEU	A	226	L	H	HG13	VAL	V	158
R	H	O	LEU	A	226	L	H	HG22	VAL	V	158
R	H	O	LEU	A	226	L	H	HG23	VAL	V	158
R	H	CG	LEU	A	226	L	H	HG12	VAL	V	158
R	H	CG	LEU	A	226	L	H	HG13	VAL	V	198
R	H	CD1	LEU	A	226	L	H	CD1	LEU	V	155
R	H	CD1	LEU	A	226	L	H	HD11	LEU	V	155
R	H	CD1	LEU	A	226	L	H	HD12	LEU	V	155
R	H	CD1	LEU	A	226	L	H	HD13	LEU	V	155
R	H	CD1	LEU	A	226	L	H	HG12	VAL	V	158
R	H	CD1	LEU	A	226	L	H	HG13	VAL	V	198
R	H	CD2	LEU	A	226	L	H	HG12	VAL	V	158
R	H	CD2	LEU	A	226	L	H	HG13	VAL	V	198
R	H	CD2	LEU	A	226	L	H	HG23	VAL	V	198
R	-	N	HIS	A	227	L	H	CG2	VAL	V	158
R	-	N	HIS	A	227	L	H	HG21	VAL	V	158
R	-	N	HIS	A	227	L	H	HG22	VAL	V	158
R	-	N	HIS	A	227	L	H	HG23	VAL	V	158
R	-	CA	HIS	A	227	L	H	CG2	VAL	V	158
R	-	CA	HIS	A	227	L	H	HG22	VAL	V	158
R	-	CA	HIS	A	227	L	H	HG23	VAL	V	158
R	-	CB	HIS	A	227	L	H	HG21	VAL	V	158
R	-	CB	HIS	A	227	L	H	HG23	VAL	V	158
R	-	CG	HIS	A	227	L	H	HB3	LEU	V	154
R	-	CG	HIS	A	227	L	H	HD23	LEU	V	154
R	-	CG	HIS	A	227	L	H	CG2	VAL	V	158
R	-	CG	HIS	A	227	L	H	HG21	VAL	V	158
R	-	CG	HIS	A	227	L	H	HG22	VAL	V	158
R	-	CG	HIS	A	227	L	H	HG23	VAL	V	158
R	-	CD2	HIS	A	227	L	H	C	LEU	V	154
R	-	CD2	HIS	A	227	L	H	CB	LEU	V	154
R	-	CD2	HIS	A	227	L	H	O	LEU	V	154
R	-	CD2	HIS	A	227	L	H	CD2	LEU	V	154
R	-	CD2	HIS	A	227	L	H	HA	LEU	V	154
R	-	CD2	HIS	A	227	L	H	HB3	LEU	V	154
R	-	CD2	HIS	A	227	L	H	HD13	LEU	V	154
R	-	CD2	HIS	A	227	L	H	HD21	LEU	V	154
R	-	CD2	HIS	A	227	L	H	HD23	LEU	V	154
R	-	CD2	HIS	A	227	L	H	CG2	VAL	V	158
R	-	CD2	HIS	A	227	L	H	HG21	VAL	V	158
R	-	CD2	HIS	A	227	L	H	HG22	VAL	V	158
R	-	CD2	HIS	A	227	L	H	HG23	VAL	V	158
R	-	ND1	HIS	A	227	L	H	O	LEU	V	154
R	-	ND1	HIS	A	227	L	H	HD23	LEU	V	154
R	-	ND1	HIS	A	227	L	H	HB3	LEU	V	157
R	-	ND1	HIS	A	227	L	H	HG	LEU	V	157
R	-	ND1	HIS	A	227	L	H	HD21	LEU	V	157
R	-	ND1	HIS	A	227	L	H	CG2	VAL	V	158
R	-	ND1	HIS	A	227	L	H	H	VAL	V	158
R	-	ND1	HIS	A	227	L	H	HA	VAL	V	158
R	-	ND1	HIS	A	227	L	H	HG21	VAL	V	158
R	-	ND1	HIS	A	227	L	H	HG22	VAL	V	158
R	-	ND1	HIS	A	227	L	H	HG23	VAL	V	158
R	-	CE1	HIS	A	227	L	H	CA	LEU	V	154
R	-	CE1	HIS	A	227	L	H	C	LEU	V	154
R	-	CE1	HIS	A	227	L	H	O	LEU	V	154
R	-	CE1	HIS	A	227	L	H	CD2	LEU	V	154
R	-	CE1	HIS	A	227	L	H	HA	LEU	V	154
R	-	CE1	HIS	A	227	L	H	HB3	LEU	V	154
R	-	CE1	HIS	A	227	L	H	HD21	LEU	V	154
R	-	CE1	HIS	A	227	L	H	HD23	LEU	V	154
R	-	CE1	HIS	A	227	L	H	C	LEU	V	157
R	-	CE1	HIS	A	227	L	H	CB	LEU	V	157
R	-	CE1	HIS	A	227	L	H	CG	LEU	V	157
R	-	CE1	HIS	A	227	L	H	CD2	LEU	V	157
R	-	CE1	HIS	A	227	L	H	HB3	LEU	V	157
R	-	CE1	HIS	A	227	L	H	HG	LEU	V	157
R	-	CE1	HIS	A	227	L	H	HD21	LEU	V	157
R	-	CE1	HIS	A	227	L	H	N	VAL	V	158
R	-	CE1	HIS	A	227	L	H	CG2	VAL	V	158
R	-	CE1	HIS	A	227	L	H	H	VAL	V	158
R	-	CE1	HIS	A	227	L	H	HA	VAL	V	158
R	-	CE1	HIS	A	227	L	H	HG21	VAL	V	158
R	-	CE1	HIS	A	227	L	H	HG22	VAL	V	158
R	-	CE1	HIS	A	227	L	H	HG23	VAL	V	158
R	-	NE2	HIS	A	227	L	H	CA	LEU	V	154
R	-	NE2	HIS	A	227	L	H	C	LEU	V	154
R	-	NE2	HIS	A	227	L	H	CB	LEU	V	154
R	-	NE2	HIS	A	227	L	H	O	LEU	V	154
R	-	NE2	HIS	A	227	L	H	CG	LEU	V	154
R	-	NE2	HIS	A	227	L	H	CD2	LEU	V	154
R	-	NE2	HIS	A	227	L	H	HA	LEU	V	154
R	-	NE2	HIS	A	227	L	H	HB2	LEU	V	154
R	-	NE2	HIS	A	227	L	H	HB3	LEU	V	154
R	-	NE2	HIS	A	227	L	H	HD21	LEU	V	154
R	-	NE2	HIS	A	227	L	H	HD23	LEU	V	154
R	-	NE2	HIS	A	227	L	H	N	LEU	V	155
R	-	NE2	HIS	A	227	L	H	HB3	LEU	V	157
R	-	NE2	HIS	A	227	L	H	HD21	LEU	V	157
R	-	NE2	HIS	A	227	L	H	CG2	VAL	V	158
R	-	NE2	HIS	A	227	L	H	H	VAL	V	158
R	-	NE2	HIS	A	227	L	H	HG21	VAL	V	158
R	-	NE2	HIS	A	227	L	H	HG22	VAL	V	158
R	-	NE2	HIS	A	227	L	H	HG23	VAL	V	158
R	-	CA	LYS	A	229	L	H	HH22	ARG	V	165
R	-	CB	LYS	A	229	L	H	HH22	ARG	V	165
R	-	O	LYS	A	229	L	H	HH12	ARG	V	165
R	-	CG	LYS	A	229	L	H	HH22	ARG	V	165
R	H	NH1	ARG	A	234	L	H	CD1	LEU	V	194
R	H	NH1	ARG	A	234	L	H	HD12	LEU	V	194
R	H	NH1	ARG	A	234	L	H	HD13	LEU	V	194
R	H	NH1	ARG	A	234	L	H	HD23	LEU	V	194
R	H	NH2	ARG	A	234	L	H	CD1	LEU	V	194
R	H	NH2	ARG	A	234	L	H	HD13	LEU	V	194
R	H	CZ	ARG	A	234	L	H	HD13	LEU	V	194
R	H	CE1	TYR	A	259	L	H	HH12	ARG	V	220
R	H	CE2	TYR	A	259	L	H	HH12	ARG	V	220
R	H	OH	TYR	A	259	L	H	NH1	ARG	V	220
R	H	OH	TYR	A	259	L	H	HH11	ARG	V	220
R	H	OH	TYR	A	259	L	H	HH12	ARG	V	220
R	H	CZ	TYR	A	259	L	H	NH1	ARG	V	220
R	H	CZ	TYR	A	259	L	H	HH11	ARG	V	220
R	H	CZ	TYR	A	259	L	H	HH12	ARG	V	220

- 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