IID

Q96R67_A6ND48.3 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	100	L	-	ILE	V	13
R	H	TYR	A	100	L	-	GLN	V	17
R	H	PHE	A	101	L	-	ILE	V	13
R	H	PHE	A	101	L	-	GLY	V	173
R	H	PHE	A	101	L	H	LYS	V	267
R	H	TYR	A	140	L	-	CYS	V	167
R	H	TYR	A	140	L	-	ASN	V	6
R	H	TRP	A	147	L	-	PRO	V	169
R	H	LEU	A	148	L	S	ILE	V	11
R	H	PHE	A	151	L	-	ILE	V	13
R	H	PHE	A	151	L	-	VAL	V	171
R	-	PHE	A	162	L	-	ASN	V	18
R	-	ARG	A	163	L	-	ASN	V	18
R	-	ARG	A	163	L	H	ILE	V	20
R	-	HIS	A	165	L	H	ILE	V	20
R	-	HIS	A	165	L	H	MET	V	21
R	H	TYR	A	33	L	-	SER	V	259
R	H	TYR	A	33	L	-	THR	V	261
R	H	LEU	A	37	L	-	SER	V	259
R	H	LEU	A	37	L	-	THR	V	261
R	H	LEU	A	41	L	-	ASP	V	189
R	H	LEU	A	41	L	-	THR	V	190
R	H	LEU	A	41	L	H	HIS	V	191
R	H	ILE	A	44	L	-	ILE	V	188
R	H	ILE	A	44	L	-	ASP	V	189
R	H	ALA	A	45	L	-	ASP	V	189
R	H	THR	A	48	L	-	CYS	V	187
R	H	THR	A	48	L	-	ILE	V	188
R	H	THR	A	48	L	-	ASP	V	189
R	-	LYS	A	6	L	H	VAL	V	24
R	H	LYS	A	62	L	-	CYS	V	167
R	H	LYS	A	62	L	-	CYS	V	187
R	H	ASN	A	63	L	-	PRO	V	169
R	H	VAL	A	66	L	H	LYS	V	184
R	H	LEU	A	69	L	H	LYS	V	184
R	H	CYS	A	70	L	H	LYS	V	184
R	H	SER	A	73	L	H	LYS	V	184
R	H	SER	A	73	L	-	THR	V	261
R	H	SER	A	73	L	-	THR	V	262
R	H	SER	A	73	L	-	LEU	V	263
R	H	SER	A	73	L	H	PRO	V	264
R	H	VAL	A	74	L	-	LEU	V	263
R	H	VAL	A	74	L	H	PRO	V	264
R	H	PRO	A	77	L	-	LEU	V	263
R	H	LYS	A	78	L	-	LEU	V	263
R	H	LYS	A	78	L	H	PRO	V	264
R	H	ARG	A	81	L	H	ILE	V	265
R	H	TYR	A	92	L	-	ASN	V	18
R	H	TYR	A	92	L	H	MET	V	21
R	H	LEU	A	93	L	-	LEU	V	15
R	H	LEU	A	93	L	-	THR	V	16
R	H	LEU	A	93	L	H	MET	V	21
R	H	GLY	A	94	L	H	PRO	V	264
R	H	VAL	A	96	L	-	THR	V	16
R	H	VAL	A	96	L	-	GLN	V	17
R	H	VAL	A	96	L	-	ASN	V	18
R	H	ALA	A	97	L	H	PRO	V	264
R	H	ALA	A	97	L	H	LYS	V	267
R	H	GLN	A	98	L	H	PRO	V	264

- 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

Q96R67_A6ND48.3 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	-	NZ	LYS	A	6	L	H	HG12	VAL	V	24
R	-	NZ	LYS	A	6	L	H	HG13	VAL	V	24
R	H	CE1	TYR	A	33	L	-	OG	SER	V	259
R	H	CE1	TYR	A	33	L	-	HG	SER	V	259
R	H	CE1	TYR	A	33	L	-	HG21	THR	V	261
R	H	CE2	TYR	A	33	L	-	CG2	THR	V	261
R	H	CE2	TYR	A	33	L	-	HG21	THR	V	261
R	H	CE2	TYR	A	33	L	-	HG23	THR	V	261
R	H	OH	TYR	A	33	L	-	OG	SER	V	259
R	H	OH	TYR	A	33	L	-	HG	SER	V	259
R	H	OH	TYR	A	33	L	-	CB	THR	V	261
R	H	OH	TYR	A	33	L	-	CG2	THR	V	261
R	H	OH	TYR	A	33	L	-	OG1	THR	V	261
R	H	OH	TYR	A	33	L	-	HB	THR	V	261
R	H	OH	TYR	A	33	L	-	HG1	THR	V	261
R	H	OH	TYR	A	33	L	-	HG21	THR	V	261
R	H	OH	TYR	A	33	L	-	HG22	THR	V	261
R	H	OH	TYR	A	33	L	-	HG23	THR	V	261
R	H	CZ	TYR	A	33	L	-	HG	SER	V	259
R	H	CZ	TYR	A	33	L	-	CB	THR	V	261
R	H	CZ	TYR	A	33	L	-	CG2	THR	V	261
R	H	CZ	TYR	A	33	L	-	HB	THR	V	261
R	H	CZ	TYR	A	33	L	-	HG21	THR	V	261
R	H	CZ	TYR	A	33	L	-	HG22	THR	V	261
R	H	CZ	TYR	A	33	L	-	HG23	THR	V	261
R	H	CG	LEU	A	37	L	-	HB2	SER	V	259
R	H	CG	LEU	A	37	L	-	HG	SER	V	259
R	H	CD1	LEU	A	37	L	-	HB2	SER	V	259
R	H	CD1	LEU	A	37	L	-	HG22	THR	V	261
R	H	CD1	LEU	A	37	L	-	HG23	THR	V	261
R	H	CD2	LEU	A	37	L	-	CB	SER	V	259
R	H	CD2	LEU	A	37	L	-	OG	SER	V	259
R	H	CD2	LEU	A	37	L	-	HB2	SER	V	259
R	H	CD2	LEU	A	37	L	-	HB3	SER	V	259
R	H	CD2	LEU	A	37	L	-	HG	SER	V	259
R	H	CD2	LEU	A	37	L	-	HG22	THR	V	261
R	H	CA	LEU	A	41	L	-	OD1	ASP	V	189
R	H	C	LEU	A	41	L	-	OD1	ASP	V	189
R	H	CB	LEU	A	41	L	-	OD1	ASP	V	189
R	H	CB	LEU	A	41	L	H	HB2	HIS	V	191
R	H	O	LEU	A	41	L	-	CG	ASP	V	189
R	H	O	LEU	A	41	L	-	OD1	ASP	V	189
R	H	O	LEU	A	41	L	-	HB2	ASP	V	189
R	H	CD1	LEU	A	41	L	-	HG1	THR	V	190
R	H	CD1	LEU	A	41	L	H	HB2	HIS	V	191
R	H	CD1	LEU	A	41	L	H	HD2	HIS	V	191
R	H	CD2	LEU	A	41	L	-	OG1	THR	V	190
R	H	CD2	LEU	A	41	L	-	H	THR	V	190
R	H	CD2	LEU	A	41	L	-	HG1	THR	V	190
R	H	C	ILE	A	44	L	-	HB2	ASP	V	189
R	H	CG2	ILE	A	44	L	-	O	ILE	V	188
R	H	CG2	ILE	A	44	L	-	HA	ASP	V	189
R	H	N	ALA	A	45	L	-	HB2	ASP	V	189
R	H	CA	ALA	A	45	L	-	CB	ASP	V	189
R	H	CA	ALA	A	45	L	-	H	ASP	V	189
R	H	CA	ALA	A	45	L	-	HB2	ASP	V	189
R	H	C	ALA	A	45	L	-	HB2	ASP	V	189
R	H	CB	ALA	A	45	L	-	CB	ASP	V	189
R	H	CB	ALA	A	45	L	-	CG	ASP	V	189
R	H	CB	ALA	A	45	L	-	OD1	ASP	V	189
R	H	CB	ALA	A	45	L	-	HB2	ASP	V	189
R	H	CB	ALA	A	45	L	-	HB3	ASP	V	189
R	H	CB	THR	A	48	L	-	O	CYS	V	187
R	H	CB	THR	A	48	L	-	HA	ILE	V	188
R	H	CB	THR	A	48	L	-	HG23	ILE	V	188
R	H	CB	THR	A	48	L	-	H	ASP	V	189
R	H	CG2	THR	A	48	L	-	C	CYS	V	187
R	H	CG2	THR	A	48	L	-	O	CYS	V	187
R	H	CG2	THR	A	48	L	-	CA	ILE	V	188
R	H	CG2	THR	A	48	L	-	CB	ILE	V	188
R	H	CG2	THR	A	48	L	-	CG2	ILE	V	188
R	H	CG2	THR	A	48	L	-	HA	ILE	V	188
R	H	CG2	THR	A	48	L	-	HG22	ILE	V	188
R	H	CG2	THR	A	48	L	-	HG23	ILE	V	188
R	H	CG2	THR	A	48	L	-	H	ASP	V	189
R	H	OG1	THR	A	48	L	-	C	CYS	V	187
R	H	OG1	THR	A	48	L	-	O	CYS	V	187
R	H	OG1	THR	A	48	L	-	HB2	CYS	V	187
R	H	OG1	THR	A	48	L	-	CA	ILE	V	188
R	H	OG1	THR	A	48	L	-	HA	ILE	V	188
R	H	OG1	THR	A	48	L	-	H	ASP	V	189
R	H	CD	LYS	A	62	L	-	O	CYS	V	187
R	H	CD	LYS	A	62	L	-	HA	CYS	V	187
R	H	CD	LYS	A	62	L	-	HB2	CYS	V	187
R	H	CE	LYS	A	62	L	-	CB	CYS	V	187
R	H	CE	LYS	A	62	L	-	HA	CYS	V	187
R	H	CE	LYS	A	62	L	-	HB2	CYS	V	187
R	H	CE	LYS	A	62	L	-	HB3	CYS	V	187
R	H	NZ	LYS	A	62	L	-	SG	CYS	V	167
R	H	NZ	LYS	A	62	L	-	CA	CYS	V	187
R	H	NZ	LYS	A	62	L	-	CB	CYS	V	187
R	H	NZ	LYS	A	62	L	-	O	CYS	V	187
R	H	NZ	LYS	A	62	L	-	HA	CYS	V	187
R	H	NZ	LYS	A	62	L	-	HB2	CYS	V	187
R	H	NZ	LYS	A	62	L	-	HB3	CYS	V	187
R	H	OD1	ASN	A	63	L	-	HD2	PRO	V	169
R	H	CG1	VAL	A	66	L	H	O	LYS	V	184
R	H	C	LEU	A	69	L	H	HZ3	LYS	V	184
R	H	O	LEU	A	69	L	H	HZ3	LYS	V	184
R	H	N	CYS	A	70	L	H	HZ2	LYS	V	184
R	H	N	CYS	A	70	L	H	HZ3	LYS	V	184
R	H	CA	CYS	A	70	L	H	NZ	LYS	V	184
R	H	CA	CYS	A	70	L	H	HZ2	LYS	V	184
R	H	CA	CYS	A	70	L	H	HZ3	LYS	V	184
R	H	CB	CYS	A	70	L	H	HZ2	LYS	V	184
R	H	SG	CYS	A	70	L	H	CD	LYS	V	184
R	H	SG	CYS	A	70	L	H	NZ	LYS	V	184
R	H	SG	CYS	A	70	L	H	HD3	LYS	V	184
R	H	SG	CYS	A	70	L	H	HZ2	LYS	V	184
R	H	CA	SER	A	73	L	-	HB	THR	V	261
R	H	CA	SER	A	73	L	-	HD21	LEU	V	263
R	H	C	SER	A	73	L	-	O	THR	V	262
R	H	C	SER	A	73	L	-	CD2	LEU	V	263
R	H	C	SER	A	73	L	-	HA	LEU	V	263
R	H	C	SER	A	73	L	-	HD21	LEU	V	263
R	H	C	SER	A	73	L	-	HD22	LEU	V	263
R	H	C	SER	A	73	L	-	HD23	LEU	V	263
R	H	C	SER	A	73	L	H	HD2	PRO	V	264
R	H	CB	SER	A	73	L	H	NZ	LYS	V	184
R	H	CB	SER	A	73	L	H	HZ3	LYS	V	184
R	H	CB	SER	A	73	L	-	CB	THR	V	261
R	H	CB	SER	A	73	L	-	HA	THR	V	261
R	H	CB	SER	A	73	L	-	HB	THR	V	261
R	H	CB	SER	A	73	L	-	HG23	THR	V	261
R	H	CB	SER	A	73	L	-	O	THR	V	262
R	H	CB	SER	A	73	L	-	H	THR	V	262
R	H	CB	SER	A	73	L	-	HD21	LEU	V	263
R	H	O	SER	A	73	L	-	O	THR	V	262
R	H	O	SER	A	73	L	-	CA	LEU	V	263
R	H	O	SER	A	73	L	-	CG	LEU	V	263
R	H	O	SER	A	73	L	-	CD2	LEU	V	263
R	H	O	SER	A	73	L	-	HA	LEU	V	263
R	H	O	SER	A	73	L	-	HD21	LEU	V	263
R	H	O	SER	A	73	L	-	HD22	LEU	V	263
R	H	O	SER	A	73	L	-	HD23	LEU	V	263
R	H	O	SER	A	73	L	H	HD2	PRO	V	264
R	H	OG	SER	A	73	L	H	HZ3	LYS	V	184
R	H	OG	SER	A	73	L	-	CA	THR	V	261
R	H	OG	SER	A	73	L	-	CB	THR	V	261
R	H	OG	SER	A	73	L	-	CG2	THR	V	261
R	H	OG	SER	A	73	L	-	HA	THR	V	261
R	H	OG	SER	A	73	L	-	HB	THR	V	261
R	H	OG	SER	A	73	L	-	HG21	THR	V	261
R	H	OG	SER	A	73	L	-	HG23	THR	V	261
R	H	OG	SER	A	73	L	-	H	THR	V	262
R	H	N	VAL	A	74	L	-	HD21	LEU	V	263
R	H	N	VAL	A	74	L	H	HD2	PRO	V	264
R	H	CA	VAL	A	74	L	H	HD2	PRO	V	264
R	H	C	VAL	A	74	L	H	HD2	PRO	V	264
R	H	CB	VAL	A	74	L	H	HG3	PRO	V	264
R	H	CB	VAL	A	74	L	H	HD2	PRO	V	264
R	H	O	VAL	A	74	L	H	CD	PRO	V	264
R	H	O	VAL	A	74	L	H	HG2	PRO	V	264
R	H	O	VAL	A	74	L	H	HD2	PRO	V	264
R	H	O	VAL	A	74	L	H	HD3	PRO	V	264
R	H	CG1	VAL	A	74	L	H	HG2	PRO	V	264
R	H	CG1	VAL	A	74	L	H	HG3	PRO	V	264
R	H	CG2	VAL	A	74	L	H	HG3	PRO	V	264
R	H	CG2	VAL	A	74	L	H	HD2	PRO	V	264
R	H	N	PRO	A	77	L	-	HD22	LEU	V	263
R	H	N	PRO	A	77	L	-	HD23	LEU	V	263
R	H	CA	PRO	A	77	L	-	HD12	LEU	V	263
R	H	CA	PRO	A	77	L	-	HD13	LEU	V	263
R	H	CA	PRO	A	77	L	-	HD22	LEU	V	263
R	H	CA	PRO	A	77	L	-	HD23	LEU	V	263
R	H	C	PRO	A	77	L	-	HD12	LEU	V	263
R	H	C	PRO	A	77	L	-	HD22	LEU	V	263
R	H	CB	PRO	A	77	L	-	CG	LEU	V	263
R	H	CB	PRO	A	77	L	-	CD1	LEU	V	263
R	H	CB	PRO	A	77	L	-	CD2	LEU	V	263
R	H	CB	PRO	A	77	L	-	HD12	LEU	V	263
R	H	CB	PRO	A	77	L	-	HD13	LEU	V	263
R	H	CB	PRO	A	77	L	-	HD21	LEU	V	263
R	H	CB	PRO	A	77	L	-	HD22	LEU	V	263
R	H	CB	PRO	A	77	L	-	HD23	LEU	V	263
R	H	CG	PRO	A	77	L	-	CG	LEU	V	263
R	H	CG	PRO	A	77	L	-	CD1	LEU	V	263
R	H	CG	PRO	A	77	L	-	CD2	LEU	V	263
R	H	CG	PRO	A	77	L	-	HD13	LEU	V	263
R	H	CG	PRO	A	77	L	-	HD21	LEU	V	263
R	H	CG	PRO	A	77	L	-	HD22	LEU	V	263
R	H	CG	PRO	A	77	L	-	HD23	LEU	V	263
R	H	CD	PRO	A	77	L	-	CD2	LEU	V	263
R	H	CD	PRO	A	77	L	-	HD21	LEU	V	263
R	H	CD	PRO	A	77	L	-	HD22	LEU	V	263
R	H	CD	PRO	A	77	L	-	HD23	LEU	V	263
R	H	N	LYS	A	78	L	-	HD12	LEU	V	263
R	H	N	LYS	A	78	L	-	HD22	LEU	V	263
R	H	NZ	LYS	A	78	L	H	HB3	PRO	V	264
R	H	NH1	ARG	A	81	L	H	CB	ILE	V	265
R	H	NH1	ARG	A	81	L	H	CG1	ILE	V	265
R	H	NH1	ARG	A	81	L	H	CG2	ILE	V	265
R	H	NH1	ARG	A	81	L	H	CD1	ILE	V	265
R	H	NH1	ARG	A	81	L	H	HB	ILE	V	265
R	H	NH1	ARG	A	81	L	H	HG12	ILE	V	265
R	H	NH1	ARG	A	81	L	H	HG23	ILE	V	265
R	H	NH1	ARG	A	81	L	H	HD11	ILE	V	265
R	H	NH1	ARG	A	81	L	H	HD13	ILE	V	265
R	H	CZ	ARG	A	81	L	H	HG12	ILE	V	265
R	H	CG	TYR	A	92	L	H	HE2	MET	V	21
R	H	CD1	TYR	A	92	L	H	CG	MET	V	21
R	H	CD1	TYR	A	92	L	H	SD	MET	V	21
R	H	CD1	TYR	A	92	L	H	CE	MET	V	21
R	H	CD1	TYR	A	92	L	H	HG3	MET	V	21
R	H	CD1	TYR	A	92	L	H	HE1	MET	V	21
R	H	CD1	TYR	A	92	L	H	HE2	MET	V	21
R	H	CE1	TYR	A	92	L	H	CG	MET	V	21
R	H	CE1	TYR	A	92	L	H	SD	MET	V	21
R	H	CE1	TYR	A	92	L	H	CE	MET	V	21
R	H	CE1	TYR	A	92	L	H	HG2	MET	V	21
R	H	CE1	TYR	A	92	L	H	HG3	MET	V	21
R	H	CE1	TYR	A	92	L	H	HE2	MET	V	21
R	H	OH	TYR	A	92	L	-	ND2	ASN	V	18
R	H	OH	TYR	A	92	L	-	HD21	ASN	V	18
R	H	OH	TYR	A	92	L	-	HD22	ASN	V	18
R	H	OH	TYR	A	92	L	H	HG2	MET	V	21
R	H	OH	TYR	A	92	L	H	HG3	MET	V	21
R	H	CZ	TYR	A	92	L	H	CG	MET	V	21
R	H	CZ	TYR	A	92	L	H	HG2	MET	V	21
R	H	CZ	TYR	A	92	L	H	HG3	MET	V	21
R	H	CB	LEU	A	93	L	-	HB	THR	V	16
R	H	CG	LEU	A	93	L	-	HB	THR	V	16
R	H	CG	LEU	A	93	L	H	HE2	MET	V	21
R	H	CG	LEU	A	93	L	H	HE3	MET	V	21
R	H	CD1	LEU	A	93	L	-	HB2	LEU	V	15
R	H	CD1	LEU	A	93	L	-	HB	THR	V	16
R	H	CD2	LEU	A	93	L	-	CB	THR	V	16
R	H	CD2	LEU	A	93	L	-	CG2	THR	V	16
R	H	CD2	LEU	A	93	L	-	OG1	THR	V	16
R	H	CD2	LEU	A	93	L	-	HB	THR	V	16
R	H	CD2	LEU	A	93	L	-	HG1	THR	V	16
R	H	CD2	LEU	A	93	L	-	HG21	THR	V	16
R	H	CD2	LEU	A	93	L	H	CE	MET	V	21
R	H	CD2	LEU	A	93	L	H	HB3	MET	V	21
R	H	CD2	LEU	A	93	L	H	HG3	MET	V	21
R	H	CD2	LEU	A	93	L	H	HE2	MET	V	21
R	H	CD2	LEU	A	93	L	H	HE3	MET	V	21
R	H	O	GLY	A	94	L	H	HB2	PRO	V	264
R	H	O	GLY	A	94	L	H	HB3	PRO	V	264
R	H	CB	VAL	A	96	L	-	HG1	THR	V	16
R	H	CG1	VAL	A	96	L	-	HG1	THR	V	16
R	H	CG1	VAL	A	96	L	-	H	GLN	V	17
R	H	CG1	VAL	A	96	L	-	HB2	ASN	V	18
R	H	CB	ALA	A	97	L	H	HB2	PRO	V	264
R	H	CB	ALA	A	97	L	H	HZ3	LYS	V	267
R	H	N	GLN	A	98	L	H	HB2	PRO	V	264
R	H	CA	GLN	A	98	L	H	HG2	PRO	V	264
R	H	CB	GLN	A	98	L	H	HG2	PRO	V	264
R	H	CG	GLN	A	98	L	H	HG2	PRO	V	264
R	H	OE1	GLN	A	98	L	H	HG2	PRO	V	264
R	H	CB	TYR	A	100	L	-	OE1	GLN	V	17
R	H	CG	TYR	A	100	L	-	CD	GLN	V	17
R	H	CG	TYR	A	100	L	-	NE2	GLN	V	17
R	H	CG	TYR	A	100	L	-	OE1	GLN	V	17
R	H	CG	TYR	A	100	L	-	HE22	GLN	V	17
R	H	CD1	TYR	A	100	L	-	HG23	ILE	V	13
R	H	CD1	TYR	A	100	L	-	HD13	ILE	V	13
R	H	CD1	TYR	A	100	L	-	CD	GLN	V	17
R	H	CD1	TYR	A	100	L	-	NE2	GLN	V	17
R	H	CD1	TYR	A	100	L	-	OE1	GLN	V	17
R	H	CD1	TYR	A	100	L	-	HE22	GLN	V	17
R	H	CD2	TYR	A	100	L	-	CD	GLN	V	17
R	H	CD2	TYR	A	100	L	-	NE2	GLN	V	17
R	H	CD2	TYR	A	100	L	-	OE1	GLN	V	17
R	H	CD2	TYR	A	100	L	-	HE22	GLN	V	17
R	H	CE1	TYR	A	100	L	-	CD1	ILE	V	13
R	H	CE1	TYR	A	100	L	-	HG23	ILE	V	13
R	H	CE1	TYR	A	100	L	-	HD13	ILE	V	13
R	H	CE1	TYR	A	100	L	-	CD	GLN	V	17
R	H	CE1	TYR	A	100	L	-	NE2	GLN	V	17
R	H	CE1	TYR	A	100	L	-	OE1	GLN	V	17
R	H	CE1	TYR	A	100	L	-	HE21	GLN	V	17
R	H	CE1	TYR	A	100	L	-	HE22	GLN	V	17
R	H	CE2	TYR	A	100	L	-	CD	GLN	V	17
R	H	CE2	TYR	A	100	L	-	NE2	GLN	V	17
R	H	CE2	TYR	A	100	L	-	OE1	GLN	V	17
R	H	CE2	TYR	A	100	L	-	HE21	GLN	V	17
R	H	CE2	TYR	A	100	L	-	HE22	GLN	V	17
R	H	OH	TYR	A	100	L	-	HD13	ILE	V	13
R	H	OH	TYR	A	100	L	-	CD	GLN	V	17
R	H	OH	TYR	A	100	L	-	NE2	GLN	V	17
R	H	OH	TYR	A	100	L	-	OE1	GLN	V	17
R	H	OH	TYR	A	100	L	-	HE21	GLN	V	17
R	H	OH	TYR	A	100	L	-	HE22	GLN	V	17
R	H	CZ	TYR	A	100	L	-	HG23	ILE	V	13
R	H	CZ	TYR	A	100	L	-	HD13	ILE	V	13
R	H	CZ	TYR	A	100	L	-	CD	GLN	V	17
R	H	CZ	TYR	A	100	L	-	NE2	GLN	V	17
R	H	CZ	TYR	A	100	L	-	OE1	GLN	V	17
R	H	CZ	TYR	A	100	L	-	HE21	GLN	V	17
R	H	CZ	TYR	A	100	L	-	HE22	GLN	V	17
R	H	CD1	PHE	A	101	L	-	CD1	ILE	V	13
R	H	CD1	PHE	A	101	L	-	HD11	ILE	V	13
R	H	CD1	PHE	A	101	L	-	HD12	ILE	V	13
R	H	CD1	PHE	A	101	L	-	HD13	ILE	V	13
R	H	CE1	PHE	A	101	L	-	CD1	ILE	V	13
R	H	CE1	PHE	A	101	L	-	HG22	ILE	V	13
R	H	CE1	PHE	A	101	L	-	HD11	ILE	V	13
R	H	CE1	PHE	A	101	L	-	HD12	ILE	V	13
R	H	CE1	PHE	A	101	L	-	HD13	ILE	V	13
R	H	CE1	PHE	A	101	L	-	HA2	GLY	V	173
R	H	CE1	PHE	A	101	L	-	HA3	GLY	V	173
R	H	CE2	PHE	A	101	L	-	HG22	ILE	V	13
R	H	CE2	PHE	A	101	L	-	HD12	ILE	V	13
R	H	CE2	PHE	A	101	L	H	NZ	LYS	V	267
R	H	CE2	PHE	A	101	L	H	HE3	LYS	V	267
R	H	CE2	PHE	A	101	L	H	HZ2	LYS	V	267
R	H	CE2	PHE	A	101	L	H	HZ3	LYS	V	267
R	H	CZ	PHE	A	101	L	-	CG2	ILE	V	13
R	H	CZ	PHE	A	101	L	-	CD1	ILE	V	13
R	H	CZ	PHE	A	101	L	-	HB	ILE	V	13
R	H	CZ	PHE	A	101	L	-	HG22	ILE	V	13
R	H	CZ	PHE	A	101	L	-	HD11	ILE	V	13
R	H	CZ	PHE	A	101	L	-	HD12	ILE	V	13
R	H	CZ	PHE	A	101	L	-	HD13	ILE	V	13
R	H	CZ	PHE	A	101	L	-	CA	GLY	V	173
R	H	CZ	PHE	A	101	L	-	O	GLY	V	173
R	H	CZ	PHE	A	101	L	-	HA2	GLY	V	173
R	H	CZ	PHE	A	101	L	-	HA3	GLY	V	173
R	H	CZ	PHE	A	101	L	H	NZ	LYS	V	267
R	H	CZ	PHE	A	101	L	H	HE3	LYS	V	267
R	H	CZ	PHE	A	101	L	H	HZ2	LYS	V	267
R	H	CZ	PHE	A	101	L	H	HZ3	LYS	V	267
R	H	CE2	TYR	A	140	L	-	O	CYS	V	167
R	H	OH	TYR	A	140	L	-	HB3	ASN	V	6
R	H	CB	TRP	A	147	L	-	CB	PRO	V	169
R	H	CB	TRP	A	147	L	-	HB2	PRO	V	169
R	H	CB	TRP	A	147	L	-	HB3	PRO	V	169
R	H	CB	TRP	A	147	L	-	HG3	PRO	V	169
R	H	CG	TRP	A	147	L	-	CB	PRO	V	169
R	H	CG	TRP	A	147	L	-	CG	PRO	V	169
R	H	CG	TRP	A	147	L	-	CD	PRO	V	169
R	H	CG	TRP	A	147	L	-	HB3	PRO	V	169
R	H	CG	TRP	A	147	L	-	HG3	PRO	V	169
R	H	CG	TRP	A	147	L	-	HD2	PRO	V	169
R	H	CD1	TRP	A	147	L	-	CB	PRO	V	169
R	H	CD1	TRP	A	147	L	-	CG	PRO	V	169
R	H	CD1	TRP	A	147	L	-	CD	PRO	V	169
R	H	CD1	TRP	A	147	L	-	HB3	PRO	V	169
R	H	CD1	TRP	A	147	L	-	HG3	PRO	V	169
R	H	CD1	TRP	A	147	L	-	HD2	PRO	V	169
R	H	CD2	TRP	A	147	L	-	CG	PRO	V	169
R	H	CD2	TRP	A	147	L	-	HB3	PRO	V	169
R	H	CD2	TRP	A	147	L	-	HG3	PRO	V	169
R	H	CD2	TRP	A	147	L	-	HD2	PRO	V	169
R	H	CE2	TRP	A	147	L	-	CG	PRO	V	169
R	H	CE2	TRP	A	147	L	-	CD	PRO	V	169
R	H	CE2	TRP	A	147	L	-	HG3	PRO	V	169
R	H	CE2	TRP	A	147	L	-	HD2	PRO	V	169
R	H	CE3	TRP	A	147	L	-	HG3	PRO	V	169
R	H	NE1	TRP	A	147	L	-	CG	PRO	V	169
R	H	NE1	TRP	A	147	L	-	CD	PRO	V	169
R	H	NE1	TRP	A	147	L	-	HB3	PRO	V	169
R	H	NE1	TRP	A	147	L	-	HG3	PRO	V	169
R	H	NE1	TRP	A	147	L	-	HD2	PRO	V	169
R	H	NE1	TRP	A	147	L	-	HD3	PRO	V	169
R	H	CH2	TRP	A	147	L	-	HG3	PRO	V	169
R	H	CZ2	TRP	A	147	L	-	HG3	PRO	V	169
R	H	CZ2	TRP	A	147	L	-	HD2	PRO	V	169
R	H	CZ3	TRP	A	147	L	-	HG3	PRO	V	169
R	H	CD2	LEU	A	148	L	S	HD12	ILE	V	11
R	H	CG	PHE	A	151	L	-	HG12	VAL	V	171
R	H	CG	PHE	A	151	L	-	HG23	VAL	V	171
R	H	CD1	PHE	A	151	L	-	HG12	VAL	V	171
R	H	CD2	PHE	A	151	L	-	HB	VAL	V	171
R	H	CD2	PHE	A	151	L	-	HG12	VAL	V	171
R	H	CD2	PHE	A	151	L	-	HG23	VAL	V	171
R	H	CE1	PHE	A	151	L	-	HD11	ILE	V	13
R	H	CE1	PHE	A	151	L	-	HD13	ILE	V	13
R	H	CE1	PHE	A	151	L	-	HG12	VAL	V	171
R	H	CE2	PHE	A	151	L	-	HB	VAL	V	171
R	H	CE2	PHE	A	151	L	-	HG12	VAL	V	171
R	H	CE2	PHE	A	151	L	-	HG23	VAL	V	171
R	H	CZ	PHE	A	151	L	-	HD11	ILE	V	13
R	H	CZ	PHE	A	151	L	-	HB	VAL	V	171
R	H	CZ	PHE	A	151	L	-	HG12	VAL	V	171
R	-	CA	PHE	A	162	L	-	ND2	ASN	V	18
R	-	CA	PHE	A	162	L	-	HD21	ASN	V	18
R	-	CA	PHE	A	162	L	-	HD22	ASN	V	18
R	-	C	PHE	A	162	L	-	ND2	ASN	V	18
R	-	C	PHE	A	162	L	-	HD21	ASN	V	18
R	-	C	PHE	A	162	L	-	HD22	ASN	V	18
R	-	CB	PHE	A	162	L	-	ND2	ASN	V	18
R	-	CB	PHE	A	162	L	-	HB2	ASN	V	18
R	-	CB	PHE	A	162	L	-	HD21	ASN	V	18
R	-	CB	PHE	A	162	L	-	HD22	ASN	V	18
R	-	O	PHE	A	162	L	-	CG	ASN	V	18
R	-	O	PHE	A	162	L	-	ND2	ASN	V	18
R	-	O	PHE	A	162	L	-	OD1	ASN	V	18
R	-	O	PHE	A	162	L	-	HD21	ASN	V	18
R	-	O	PHE	A	162	L	-	HD22	ASN	V	18
R	-	CG	PHE	A	162	L	-	HD21	ASN	V	18
R	-	N	ARG	A	163	L	-	ND2	ASN	V	18
R	-	N	ARG	A	163	L	-	HD21	ASN	V	18
R	-	N	ARG	A	163	L	-	HD22	ASN	V	18
R	-	CA	ARG	A	163	L	-	HD22	ASN	V	18
R	-	C	ARG	A	163	L	-	HD22	ASN	V	18
R	-	C	ARG	A	163	L	H	HD12	ILE	V	20
R	-	O	ARG	A	163	L	-	HD22	ASN	V	18
R	-	O	ARG	A	163	L	H	CD1	ILE	V	20
R	-	O	ARG	A	163	L	H	HD11	ILE	V	20
R	-	O	ARG	A	163	L	H	HD12	ILE	V	20
R	-	O	ARG	A	163	L	H	HD13	ILE	V	20
R	-	ND1	HIS	A	165	L	H	HG21	ILE	V	20
R	-	CE1	HIS	A	165	L	H	CG2	ILE	V	20
R	-	CE1	HIS	A	165	L	H	HB	ILE	V	20
R	-	CE1	HIS	A	165	L	H	HG21	ILE	V	20
R	-	CE1	HIS	A	165	L	H	HG23	ILE	V	20
R	-	CE1	HIS	A	165	L	H	CG	MET	V	21
R	-	CE1	HIS	A	165	L	H	SD	MET	V	21
R	-	CE1	HIS	A	165	L	H	HG2	MET	V	21
R	-	NE2	HIS	A	165	L	H	SD	MET	V	21

- 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