IID

P47888_A6NKK0.5 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	PHE	A	102	L	H	PHE	V	42
R	H	SER	A	103	L	H	LEU	V	301
R	S	GLU	A	11	L	H	VAL	V	315
R	-	THR	A	137	L	H	LYS	V	279
R	H	ASN	A	138	L	H	LYS	V	279
R	H	GLY	A	139	L	H	LYS	V	279
R	H	LEU	A	140	L	H	LYS	V	279
R	H	ILE	A	142	L	H	PHE	V	266
R	H	ARG	A	143	L	-	SER	V	277
R	H	ARG	A	143	L	H	ASP	V	278
R	H	ARG	A	143	L	H	LYS	V	279
R	H	ILE	A	146	L	H	GLY	V	282
R	H	ILE	A	146	L	H	PHE	V	286
R	H	TYR	A	149	L	H	PHE	V	286
R	H	VAL	A	150	L	H	LEU	V	39
R	H	ILE	A	153	L	H	ILE	V	290
R	H	ILE	A	153	L	H	MET	V	293
R	H	ILE	A	153	L	H	LEU	V	39
R	H	LEU	A	154	L	H	VAL	V	35
R	H	LEU	A	154	L	H	LEU	V	39
R	H	LEU	A	157	L	H	LEU	V	39
R	H	LEU	A	157	L	H	PHE	V	42
R	H	PHE	A	28	L	H	LYS	V	244
R	H	LEU	A	29	L	H	ALA	V	240
R	H	HIS	A	308	L	H	SER	V	224
R	H	HIS	A	308	L	H	ALA	V	228
R	H	VAL	A	311	L	H	VAL	V	225
R	-	SER	A	312	L	H	ALA	V	228
R	-	SER	A	312	L	H	HIS	V	229
R	H	LEU	A	32	L	H	ALA	V	240
R	H	LEU	A	32	L	H	GLU	V	241
R	H	LEU	A	32	L	H	LYS	V	244
R	H	TYR	A	35	L	H	SER	V	248
R	H	TYR	A	35	L	H	ARG	V	302
R	H	LEU	A	36	L	H	ARG	V	243
R	H	LEU	A	36	L	H	LYS	V	244
R	H	LEU	A	36	L	H	PHE	V	247
R	H	ILE	A	39	L	H	GLY	V	251
R	H	ILE	A	39	L	H	ARG	V	302
R	H	MET	A	40	L	H	PHE	V	247
R	H	LEU	A	43	L	H	GLY	V	251
R	H	LEU	A	43	L	H	LEU	V	254
R	H	LEU	A	43	L	H	THR	V	255
R	H	LEU	A	43	L	H	ARG	V	302
R	H	TRP	A	50	L	H	LEU	V	220
R	H	TRP	A	50	L	H	VAL	V	257
R	H	TRP	A	50	L	H	GLY	V	258
R	H	TRP	A	50	L	H	TYR	V	261
R	H	TRP	A	50	L	H	GLY	V	262
R	H	TRP	A	50	L	H	VAL	V	265
R	H	LYS	A	51	L	H	SER	V	224
R	-	HIS	A	56	L	H	VAL	V	265
R	-	HIS	A	56	L	H	MET	V	269
R	H	LEU	A	61	L	H	PHE	V	266
R	H	PHE	A	68	L	H	THR	V	255
R	H	PHE	A	68	L	H	ILE	V	259
R	H	PHE	A	68	L	H	LEU	V	294
R	H	ALA	A	71	L	H	ARG	V	302
R	H	TRP	A	72	L	H	LEU	V	294
R	H	TRP	A	72	L	H	LEU	V	297
R	H	TRP	A	72	L	H	ARG	V	302
R	H	SER	A	75	L	H	LEU	V	301
R	H	SER	A	75	L	H	ARG	V	302
R	H	THR	A	76	L	H	LEU	V	301
R	H	PRO	A	79	L	H	LEU	V	301
R	H	PRO	A	79	L	H	ARG	V	302
R	H	PRO	A	79	L	H	GLN	V	307
R	H	LEU	A	82	L	H	LYS	V	244
R	S	SER	A	93	L	H	LEU	V	314
R	H	SER	A	95	L	H	LEU	V	314
R	H	GLU	A	96	L	H	GLN	V	307
R	H	GLU	A	96	L	H	CYS	V	311
R	H	ILE	A	99	L	H	LEU	V	297
R	H	ILE	A	99	L	H	LEU	V	301

- 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_A6NKK0.5 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	S	CG	GLU	A	11	L	H	HG22	VAL	V	315
R	S	CD	GLU	A	11	L	H	HG12	VAL	V	315
R	S	CD	GLU	A	11	L	H	HG13	VAL	V	315
R	S	CD	GLU	A	11	L	H	HG22	VAL	V	315
R	S	CD	GLU	A	11	L	H	HG23	VAL	V	315
R	S	OE1	GLU	A	11	L	H	CB	VAL	V	315
R	S	OE1	GLU	A	11	L	H	CG1	VAL	V	315
R	S	OE1	GLU	A	11	L	H	CG2	VAL	V	315
R	S	OE1	GLU	A	11	L	H	HG12	VAL	V	315
R	S	OE1	GLU	A	11	L	H	HG13	VAL	V	315
R	S	OE1	GLU	A	11	L	H	HG22	VAL	V	315
R	S	OE1	GLU	A	11	L	H	HG23	VAL	V	315
R	H	CD2	PHE	A	28	L	H	NZ	LYS	V	244
R	H	CD2	PHE	A	28	L	H	HZ1	LYS	V	244
R	H	CD2	PHE	A	28	L	H	HZ2	LYS	V	244
R	H	CD2	PHE	A	28	L	H	HZ3	LYS	V	244
R	H	CE1	PHE	A	28	L	H	HZ2	LYS	V	244
R	H	CE1	PHE	A	28	L	H	HZ3	LYS	V	244
R	H	CE2	PHE	A	28	L	H	NZ	LYS	V	244
R	H	CE2	PHE	A	28	L	H	HZ1	LYS	V	244
R	H	CE2	PHE	A	28	L	H	HZ2	LYS	V	244
R	H	CE2	PHE	A	28	L	H	HZ3	LYS	V	244
R	H	CZ	PHE	A	28	L	H	CD	LYS	V	244
R	H	CZ	PHE	A	28	L	H	NZ	LYS	V	244
R	H	CZ	PHE	A	28	L	H	HD2	LYS	V	244
R	H	CZ	PHE	A	28	L	H	HD3	LYS	V	244
R	H	CZ	PHE	A	28	L	H	HZ1	LYS	V	244
R	H	CZ	PHE	A	28	L	H	HZ2	LYS	V	244
R	H	CZ	PHE	A	28	L	H	HZ3	LYS	V	244
R	H	CD2	LEU	A	29	L	H	HB1	ALA	V	240
R	H	CD2	LEU	A	29	L	H	HB2	ALA	V	240
R	H	CA	LEU	A	32	L	H	HD2	LYS	V	244
R	H	CA	LEU	A	32	L	H	HE3	LYS	V	244
R	H	CA	LEU	A	32	L	H	HZ2	LYS	V	244
R	H	CB	LEU	A	32	L	H	CD	LYS	V	244
R	H	CB	LEU	A	32	L	H	CE	LYS	V	244
R	H	CB	LEU	A	32	L	H	NZ	LYS	V	244
R	H	CB	LEU	A	32	L	H	HD2	LYS	V	244
R	H	CB	LEU	A	32	L	H	HE3	LYS	V	244
R	H	CB	LEU	A	32	L	H	HZ2	LYS	V	244
R	H	CG	LEU	A	32	L	H	CB	LYS	V	244
R	H	CG	LEU	A	32	L	H	CG	LYS	V	244
R	H	CG	LEU	A	32	L	H	CD	LYS	V	244
R	H	CG	LEU	A	32	L	H	CE	LYS	V	244
R	H	CG	LEU	A	32	L	H	NZ	LYS	V	244
R	H	CG	LEU	A	32	L	H	HB2	LYS	V	244
R	H	CG	LEU	A	32	L	H	HG2	LYS	V	244
R	H	CG	LEU	A	32	L	H	HD2	LYS	V	244
R	H	CG	LEU	A	32	L	H	HD3	LYS	V	244
R	H	CG	LEU	A	32	L	H	HE3	LYS	V	244
R	H	CG	LEU	A	32	L	H	HZ2	LYS	V	244
R	H	CD1	LEU	A	32	L	H	CB	LYS	V	244
R	H	CD1	LEU	A	32	L	H	CG	LYS	V	244
R	H	CD1	LEU	A	32	L	H	CD	LYS	V	244
R	H	CD1	LEU	A	32	L	H	CE	LYS	V	244
R	H	CD1	LEU	A	32	L	H	NZ	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HA	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HB2	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HB3	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HG2	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HG3	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HD2	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HD3	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HE2	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HE3	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HZ1	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HZ2	LYS	V	244
R	H	CD1	LEU	A	32	L	H	HZ3	LYS	V	244
R	H	CD2	LEU	A	32	L	H	O	ALA	V	240
R	H	CD2	LEU	A	32	L	H	HA	GLU	V	241
R	H	CD2	LEU	A	32	L	H	CB	LYS	V	244
R	H	CD2	LEU	A	32	L	H	CG	LYS	V	244
R	H	CD2	LEU	A	32	L	H	CD	LYS	V	244
R	H	CD2	LEU	A	32	L	H	CE	LYS	V	244
R	H	CD2	LEU	A	32	L	H	HB2	LYS	V	244
R	H	CD2	LEU	A	32	L	H	HB3	LYS	V	244
R	H	CD2	LEU	A	32	L	H	HG2	LYS	V	244
R	H	CD2	LEU	A	32	L	H	HD2	LYS	V	244
R	H	CD2	LEU	A	32	L	H	HD3	LYS	V	244
R	H	CD2	LEU	A	32	L	H	HZ2	LYS	V	244
R	H	OH	TYR	A	35	L	H	HA	SER	V	248
R	H	OH	TYR	A	35	L	H	CG	ARG	V	302
R	H	OH	TYR	A	35	L	H	CD	ARG	V	302
R	H	OH	TYR	A	35	L	H	NE	ARG	V	302
R	H	OH	TYR	A	35	L	H	HB3	ARG	V	302
R	H	OH	TYR	A	35	L	H	HG2	ARG	V	302
R	H	OH	TYR	A	35	L	H	HD2	ARG	V	302
R	H	OH	TYR	A	35	L	H	HE	ARG	V	302
R	H	CB	LEU	A	36	L	H	CD2	PHE	V	247
R	H	CB	LEU	A	36	L	H	HD2	PHE	V	247
R	H	CG	LEU	A	36	L	H	HA	LYS	V	244
R	H	CG	LEU	A	36	L	H	HG2	LYS	V	244
R	H	CG	LEU	A	36	L	H	CD2	PHE	V	247
R	H	CG	LEU	A	36	L	H	HB2	PHE	V	247
R	H	CG	LEU	A	36	L	H	HD2	PHE	V	247
R	H	CD1	LEU	A	36	L	H	HB2	ARG	V	243
R	H	CD1	LEU	A	36	L	H	N	LYS	V	244
R	H	CD1	LEU	A	36	L	H	CA	LYS	V	244
R	H	CD1	LEU	A	36	L	H	HA	LYS	V	244
R	H	CD1	LEU	A	36	L	H	HB2	LYS	V	244
R	H	CD1	LEU	A	36	L	H	HG2	LYS	V	244
R	H	CD1	LEU	A	36	L	H	CD2	PHE	V	247
R	H	CD1	LEU	A	36	L	H	HB2	PHE	V	247
R	H	CD1	LEU	A	36	L	H	HD2	PHE	V	247
R	H	CD1	LEU	A	36	L	H	HE2	PHE	V	247
R	H	CD2	LEU	A	36	L	H	CA	LYS	V	244
R	H	CD2	LEU	A	36	L	H	O	LYS	V	244
R	H	CD2	LEU	A	36	L	H	HA	LYS	V	244
R	H	CD2	LEU	A	36	L	H	HG2	LYS	V	244
R	H	CD2	LEU	A	36	L	H	CB	PHE	V	247
R	H	CD2	LEU	A	36	L	H	CG	PHE	V	247
R	H	CD2	LEU	A	36	L	H	CD2	PHE	V	247
R	H	CD2	LEU	A	36	L	H	HB2	PHE	V	247
R	H	CD2	LEU	A	36	L	H	HB3	PHE	V	247
R	H	CD2	LEU	A	36	L	H	HD2	PHE	V	247
R	H	CG2	ILE	A	39	L	H	HA2	GLY	V	251
R	H	CD1	ILE	A	39	L	H	NH2	ARG	V	302
R	H	CD1	ILE	A	39	L	H	CZ	ARG	V	302
R	H	CD1	ILE	A	39	L	H	HH21	ARG	V	302
R	H	CD1	ILE	A	39	L	H	HH22	ARG	V	302
R	H	CG	MET	A	40	L	H	CD1	PHE	V	247
R	H	CG	MET	A	40	L	H	CE1	PHE	V	247
R	H	CG	MET	A	40	L	H	CZ	PHE	V	247
R	H	CG	MET	A	40	L	H	HD1	PHE	V	247
R	H	CG	MET	A	40	L	H	HE1	PHE	V	247
R	H	SD	MET	A	40	L	H	CD1	PHE	V	247
R	H	SD	MET	A	40	L	H	CE1	PHE	V	247
R	H	SD	MET	A	40	L	H	CE2	PHE	V	247
R	H	SD	MET	A	40	L	H	CZ	PHE	V	247
R	H	SD	MET	A	40	L	H	HE1	PHE	V	247
R	H	SD	MET	A	40	L	H	HZ	PHE	V	247
R	H	CE	MET	A	40	L	H	CE1	PHE	V	247
R	H	CE	MET	A	40	L	H	CZ	PHE	V	247
R	H	CE	MET	A	40	L	H	HE1	PHE	V	247
R	H	CE	MET	A	40	L	H	HZ	PHE	V	247
R	H	CG	LEU	A	43	L	H	OG1	THR	V	255
R	H	CG	LEU	A	43	L	H	HH12	ARG	V	302
R	H	CD1	LEU	A	43	L	H	CA	GLY	V	251
R	H	CD1	LEU	A	43	L	H	C	GLY	V	251
R	H	CD1	LEU	A	43	L	H	O	GLY	V	251
R	H	CD1	LEU	A	43	L	H	HA2	GLY	V	251
R	H	CD1	LEU	A	43	L	H	HA3	GLY	V	251
R	H	CD1	LEU	A	43	L	H	HB3	LEU	V	254
R	H	CD1	LEU	A	43	L	H	OG1	THR	V	255
R	H	CD1	LEU	A	43	L	H	HG1	THR	V	255
R	H	CD1	LEU	A	43	L	H	HH12	ARG	V	302
R	H	CD2	LEU	A	43	L	H	OG1	THR	V	255
R	H	CD2	LEU	A	43	L	H	HA	THR	V	255
R	H	CD2	LEU	A	43	L	H	HG1	THR	V	255
R	H	CD2	LEU	A	43	L	H	HG22	THR	V	255
R	H	CD2	LEU	A	43	L	H	HH12	ARG	V	302
R	H	O	TRP	A	50	L	H	HG13	VAL	V	265
R	H	CG	TRP	A	50	L	H	HA2	GLY	V	262
R	H	CG	TRP	A	50	L	H	HA3	GLY	V	262
R	H	CD1	TRP	A	50	L	H	N	GLY	V	262
R	H	CD1	TRP	A	50	L	H	CA	GLY	V	262
R	H	CD1	TRP	A	50	L	H	HA2	GLY	V	262
R	H	CD1	TRP	A	50	L	H	HA3	GLY	V	262
R	H	CD1	TRP	A	50	L	H	HB	VAL	V	265
R	H	CD1	TRP	A	50	L	H	HG13	VAL	V	265
R	H	CD1	TRP	A	50	L	H	HG22	VAL	V	265
R	H	CD2	TRP	A	50	L	H	HA2	GLY	V	262
R	H	CE2	TRP	A	50	L	H	C	TYR	V	261
R	H	CE2	TRP	A	50	L	H	CB	TYR	V	261
R	H	CE2	TRP	A	50	L	H	O	TYR	V	261
R	H	CE2	TRP	A	50	L	H	HB2	TYR	V	261
R	H	CE2	TRP	A	50	L	H	HB3	TYR	V	261
R	H	CE2	TRP	A	50	L	H	N	GLY	V	262
R	H	CE2	TRP	A	50	L	H	CA	GLY	V	262
R	H	CE2	TRP	A	50	L	H	H	GLY	V	262
R	H	CE2	TRP	A	50	L	H	HA2	GLY	V	262
R	H	CE2	TRP	A	50	L	H	HA3	GLY	V	262
R	H	CE2	TRP	A	50	L	H	CG2	VAL	V	265
R	H	CE2	TRP	A	50	L	H	HB	VAL	V	265
R	H	CE2	TRP	A	50	L	H	HG21	VAL	V	265
R	H	CE2	TRP	A	50	L	H	HG22	VAL	V	265
R	H	CE3	TRP	A	50	L	H	HD13	LEU	V	220
R	H	CE3	TRP	A	50	L	H	HA2	GLY	V	258
R	H	NE1	TRP	A	50	L	H	C	TYR	V	261
R	H	NE1	TRP	A	50	L	H	O	TYR	V	261
R	H	NE1	TRP	A	50	L	H	HB3	TYR	V	261
R	H	NE1	TRP	A	50	L	H	N	GLY	V	262
R	H	NE1	TRP	A	50	L	H	CA	GLY	V	262
R	H	NE1	TRP	A	50	L	H	C	GLY	V	262
R	H	NE1	TRP	A	50	L	H	O	GLY	V	262
R	H	NE1	TRP	A	50	L	H	H	GLY	V	262
R	H	NE1	TRP	A	50	L	H	HA2	GLY	V	262
R	H	NE1	TRP	A	50	L	H	HA3	GLY	V	262
R	H	NE1	TRP	A	50	L	H	CB	VAL	V	265
R	H	NE1	TRP	A	50	L	H	CG2	VAL	V	265
R	H	NE1	TRP	A	50	L	H	HB	VAL	V	265
R	H	NE1	TRP	A	50	L	H	HG13	VAL	V	265
R	H	NE1	TRP	A	50	L	H	HG21	VAL	V	265
R	H	NE1	TRP	A	50	L	H	HG22	VAL	V	265
R	H	CH2	TRP	A	50	L	H	CG	LEU	V	220
R	H	CH2	TRP	A	50	L	H	CD1	LEU	V	220
R	H	CH2	TRP	A	50	L	H	CD2	LEU	V	220
R	H	CH2	TRP	A	50	L	H	HD11	LEU	V	220
R	H	CH2	TRP	A	50	L	H	HD12	LEU	V	220
R	H	CH2	TRP	A	50	L	H	HD13	LEU	V	220
R	H	CH2	TRP	A	50	L	H	HD22	LEU	V	220
R	H	CH2	TRP	A	50	L	H	HD23	LEU	V	220
R	H	CH2	TRP	A	50	L	H	CA	TYR	V	261
R	H	CH2	TRP	A	50	L	H	CB	TYR	V	261
R	H	CH2	TRP	A	50	L	H	CG	TYR	V	261
R	H	CH2	TRP	A	50	L	H	HB2	TYR	V	261
R	H	CH2	TRP	A	50	L	H	HB3	TYR	V	261
R	H	CZ2	TRP	A	50	L	H	HD12	LEU	V	220
R	H	CZ2	TRP	A	50	L	H	HD13	LEU	V	220
R	H	CZ2	TRP	A	50	L	H	HD22	LEU	V	220
R	H	CZ2	TRP	A	50	L	H	HD23	LEU	V	220
R	H	CZ2	TRP	A	50	L	H	CA	TYR	V	261
R	H	CZ2	TRP	A	50	L	H	C	TYR	V	261
R	H	CZ2	TRP	A	50	L	H	CB	TYR	V	261
R	H	CZ2	TRP	A	50	L	H	O	TYR	V	261
R	H	CZ2	TRP	A	50	L	H	CG	TYR	V	261
R	H	CZ2	TRP	A	50	L	H	HB2	TYR	V	261
R	H	CZ2	TRP	A	50	L	H	HB3	TYR	V	261
R	H	CZ2	TRP	A	50	L	H	N	GLY	V	262
R	H	CZ2	TRP	A	50	L	H	H	GLY	V	262
R	H	CZ2	TRP	A	50	L	H	HA2	GLY	V	262
R	H	CZ2	TRP	A	50	L	H	CG2	VAL	V	265
R	H	CZ2	TRP	A	50	L	H	HG21	VAL	V	265
R	H	CZ2	TRP	A	50	L	H	HG22	VAL	V	265
R	H	CZ3	TRP	A	50	L	H	CD1	LEU	V	220
R	H	CZ3	TRP	A	50	L	H	HD11	LEU	V	220
R	H	CZ3	TRP	A	50	L	H	HD12	LEU	V	220
R	H	CZ3	TRP	A	50	L	H	HD13	LEU	V	220
R	H	CZ3	TRP	A	50	L	H	HD23	LEU	V	220
R	H	CZ3	TRP	A	50	L	H	HG11	VAL	V	257
R	H	CZ3	TRP	A	50	L	H	HA2	GLY	V	258
R	H	CZ3	TRP	A	50	L	H	CB	TYR	V	261
R	H	CZ3	TRP	A	50	L	H	HB2	TYR	V	261
R	H	CZ3	TRP	A	50	L	H	HB3	TYR	V	261
R	H	NZ	LYS	A	51	L	H	OG	SER	V	224
R	H	NZ	LYS	A	51	L	H	HB3	SER	V	224
R	-	CB	HIS	A	56	L	H	HE1	MET	V	269
R	-	CG	HIS	A	56	L	H	HE1	MET	V	269
R	-	ND1	HIS	A	56	L	H	SD	MET	V	269
R	-	ND1	HIS	A	56	L	H	CE	MET	V	269
R	-	ND1	HIS	A	56	L	H	HE1	MET	V	269
R	-	ND1	HIS	A	56	L	H	HE2	MET	V	269
R	-	CE1	HIS	A	56	L	H	HG11	VAL	V	265
R	-	CE1	HIS	A	56	L	H	HG13	VAL	V	265
R	-	CE1	HIS	A	56	L	H	SD	MET	V	269
R	-	CE1	HIS	A	56	L	H	HE1	MET	V	269
R	H	CD1	LEU	A	61	L	H	HE2	PHE	V	266
R	H	CD2	PHE	A	68	L	H	HG22	THR	V	255
R	H	CD2	PHE	A	68	L	H	HG12	ILE	V	259
R	H	CD2	PHE	A	68	L	H	HG13	ILE	V	259
R	H	CD2	PHE	A	68	L	H	HD11	ILE	V	259
R	H	CE1	PHE	A	68	L	H	HD12	LEU	V	294
R	H	CE1	PHE	A	68	L	H	HD13	LEU	V	294
R	H	CE2	PHE	A	68	L	H	HG22	THR	V	255
R	H	CE2	PHE	A	68	L	H	HG23	THR	V	255
R	H	CE2	PHE	A	68	L	H	CG1	ILE	V	259
R	H	CE2	PHE	A	68	L	H	CD1	ILE	V	259
R	H	CE2	PHE	A	68	L	H	HG12	ILE	V	259
R	H	CE2	PHE	A	68	L	H	HG13	ILE	V	259
R	H	CE2	PHE	A	68	L	H	HD11	ILE	V	259
R	H	CE2	PHE	A	68	L	H	HD12	ILE	V	259
R	H	CE2	PHE	A	68	L	H	HD13	ILE	V	259
R	H	CE2	PHE	A	68	L	H	HD13	LEU	V	294
R	H	CZ	PHE	A	68	L	H	CD1	ILE	V	259
R	H	CZ	PHE	A	68	L	H	HG12	ILE	V	259
R	H	CZ	PHE	A	68	L	H	HD11	ILE	V	259
R	H	CZ	PHE	A	68	L	H	HD13	ILE	V	259
R	H	CZ	PHE	A	68	L	H	CD1	LEU	V	294
R	H	CZ	PHE	A	68	L	H	HD12	LEU	V	294
R	H	CZ	PHE	A	68	L	H	HD13	LEU	V	294
R	H	CA	ALA	A	71	L	H	NH2	ARG	V	302
R	H	CA	ALA	A	71	L	H	HH21	ARG	V	302
R	H	CA	ALA	A	71	L	H	HH22	ARG	V	302
R	H	C	ALA	A	71	L	H	NH2	ARG	V	302
R	H	C	ALA	A	71	L	H	HH21	ARG	V	302
R	H	C	ALA	A	71	L	H	HH22	ARG	V	302
R	H	CB	ALA	A	71	L	H	NH2	ARG	V	302
R	H	CB	ALA	A	71	L	H	HH21	ARG	V	302
R	H	CB	ALA	A	71	L	H	HH22	ARG	V	302
R	H	O	ALA	A	71	L	H	NE	ARG	V	302
R	H	O	ALA	A	71	L	H	NH2	ARG	V	302
R	H	O	ALA	A	71	L	H	CZ	ARG	V	302
R	H	O	ALA	A	71	L	H	HE	ARG	V	302
R	H	O	ALA	A	71	L	H	HH21	ARG	V	302
R	H	O	ALA	A	71	L	H	HH22	ARG	V	302
R	H	N	TRP	A	72	L	H	NH2	ARG	V	302
R	H	N	TRP	A	72	L	H	HH21	ARG	V	302
R	H	N	TRP	A	72	L	H	HH22	ARG	V	302
R	H	CA	TRP	A	72	L	H	NH2	ARG	V	302
R	H	CA	TRP	A	72	L	H	HH21	ARG	V	302
R	H	C	TRP	A	72	L	H	HH21	ARG	V	302
R	H	O	TRP	A	72	L	H	HH21	ARG	V	302
R	H	CD2	TRP	A	72	L	H	HD22	LEU	V	294
R	H	CE2	TRP	A	72	L	H	HD22	LEU	V	294
R	H	CE2	TRP	A	72	L	H	HD12	LEU	V	297
R	H	CE3	TRP	A	72	L	H	HD22	LEU	V	294
R	H	CE3	TRP	A	72	L	H	HD23	LEU	V	294
R	H	NE1	TRP	A	72	L	H	HD12	LEU	V	297
R	H	CH2	TRP	A	72	L	H	CD2	LEU	V	294
R	H	CH2	TRP	A	72	L	H	HD21	LEU	V	294
R	H	CH2	TRP	A	72	L	H	HD22	LEU	V	294
R	H	CH2	TRP	A	72	L	H	HD23	LEU	V	294
R	H	CZ2	TRP	A	72	L	H	CD2	LEU	V	294
R	H	CZ2	TRP	A	72	L	H	HD21	LEU	V	294
R	H	CZ2	TRP	A	72	L	H	HD22	LEU	V	294
R	H	CZ2	TRP	A	72	L	H	HD23	LEU	V	294
R	H	CZ2	TRP	A	72	L	H	HD11	LEU	V	297
R	H	CZ2	TRP	A	72	L	H	HD12	LEU	V	297
R	H	CZ3	TRP	A	72	L	H	CD2	LEU	V	294
R	H	CZ3	TRP	A	72	L	H	HD22	LEU	V	294
R	H	CZ3	TRP	A	72	L	H	HD23	LEU	V	294
R	H	N	SER	A	75	L	H	HE	ARG	V	302
R	H	N	SER	A	75	L	H	HH21	ARG	V	302
R	H	CA	SER	A	75	L	H	CG	ARG	V	302
R	H	CA	SER	A	75	L	H	NE	ARG	V	302
R	H	CA	SER	A	75	L	H	HG2	ARG	V	302
R	H	CA	SER	A	75	L	H	HG3	ARG	V	302
R	H	CA	SER	A	75	L	H	HE	ARG	V	302
R	H	CA	SER	A	75	L	H	HH21	ARG	V	302
R	H	C	SER	A	75	L	H	HB3	LEU	V	301
R	H	C	SER	A	75	L	H	HG2	ARG	V	302
R	H	C	SER	A	75	L	H	HE	ARG	V	302
R	H	CB	SER	A	75	L	H	CG	ARG	V	302
R	H	CB	SER	A	75	L	H	CD	ARG	V	302
R	H	CB	SER	A	75	L	H	NE	ARG	V	302
R	H	CB	SER	A	75	L	H	NH2	ARG	V	302
R	H	CB	SER	A	75	L	H	CZ	ARG	V	302
R	H	CB	SER	A	75	L	H	HG2	ARG	V	302
R	H	CB	SER	A	75	L	H	HG3	ARG	V	302
R	H	CB	SER	A	75	L	H	HD2	ARG	V	302
R	H	CB	SER	A	75	L	H	HD3	ARG	V	302
R	H	CB	SER	A	75	L	H	HE	ARG	V	302
R	H	CB	SER	A	75	L	H	HH21	ARG	V	302
R	H	O	SER	A	75	L	H	C	LEU	V	301
R	H	O	SER	A	75	L	H	CB	LEU	V	301
R	H	O	SER	A	75	L	H	O	LEU	V	301
R	H	O	SER	A	75	L	H	HB2	LEU	V	301
R	H	O	SER	A	75	L	H	HB3	LEU	V	301
R	H	O	SER	A	75	L	H	CG	ARG	V	302
R	H	O	SER	A	75	L	H	HA	ARG	V	302
R	H	O	SER	A	75	L	H	HG2	ARG	V	302
R	H	O	SER	A	75	L	H	HG3	ARG	V	302
R	H	OG	SER	A	75	L	H	CG	ARG	V	302
R	H	OG	SER	A	75	L	H	CD	ARG	V	302
R	H	OG	SER	A	75	L	H	NE	ARG	V	302
R	H	OG	SER	A	75	L	H	NH1	ARG	V	302
R	H	OG	SER	A	75	L	H	NH2	ARG	V	302
R	H	OG	SER	A	75	L	H	CZ	ARG	V	302
R	H	OG	SER	A	75	L	H	HG2	ARG	V	302
R	H	OG	SER	A	75	L	H	HG3	ARG	V	302
R	H	OG	SER	A	75	L	H	HD2	ARG	V	302
R	H	OG	SER	A	75	L	H	HD3	ARG	V	302
R	H	OG	SER	A	75	L	H	HE	ARG	V	302
R	H	OG	SER	A	75	L	H	HH11	ARG	V	302
R	H	OG	SER	A	75	L	H	HH12	ARG	V	302
R	H	OG	SER	A	75	L	H	HH21	ARG	V	302
R	H	OG	SER	A	75	L	H	HH22	ARG	V	302
R	H	N	THR	A	76	L	H	HB3	LEU	V	301
R	H	N	THR	A	76	L	H	HD12	LEU	V	301
R	H	CA	THR	A	76	L	H	HB3	LEU	V	301
R	H	CA	THR	A	76	L	H	HD12	LEU	V	301
R	H	CA	THR	A	76	L	H	HD22	LEU	V	301
R	H	CB	THR	A	76	L	H	HD12	LEU	V	301
R	H	O	THR	A	76	L	H	HD22	LEU	V	301
R	H	CG2	THR	A	76	L	H	HD12	LEU	V	301
R	H	CG2	THR	A	76	L	H	HD22	LEU	V	301
R	H	OG1	THR	A	76	L	H	CD1	LEU	V	301
R	H	OG1	THR	A	76	L	H	HD11	LEU	V	301
R	H	OG1	THR	A	76	L	H	HD12	LEU	V	301
R	H	OG1	THR	A	76	L	H	HD13	LEU	V	301
R	H	CB	PRO	A	79	L	H	O	LEU	V	301
R	H	CB	PRO	A	79	L	H	HA	ARG	V	302
R	H	CB	PRO	A	79	L	H	HE22	GLN	V	307
R	H	CG	PRO	A	79	L	H	O	LEU	V	301
R	H	CG	PRO	A	79	L	H	HA	ARG	V	302
R	H	CG	PRO	A	79	L	H	HG2	ARG	V	302
R	H	CA	LEU	A	82	L	H	HZ1	LYS	V	244
R	H	CB	LEU	A	82	L	H	NZ	LYS	V	244
R	H	CB	LEU	A	82	L	H	HZ1	LYS	V	244
R	H	CB	LEU	A	82	L	H	HZ2	LYS	V	244
R	H	CB	LEU	A	82	L	H	HZ3	LYS	V	244
R	H	CG	LEU	A	82	L	H	NZ	LYS	V	244
R	H	CG	LEU	A	82	L	H	HE3	LYS	V	244
R	H	CG	LEU	A	82	L	H	HZ1	LYS	V	244
R	H	CG	LEU	A	82	L	H	HZ2	LYS	V	244
R	H	CD1	LEU	A	82	L	H	CE	LYS	V	244
R	H	CD1	LEU	A	82	L	H	NZ	LYS	V	244
R	H	CD1	LEU	A	82	L	H	HE2	LYS	V	244
R	H	CD1	LEU	A	82	L	H	HE3	LYS	V	244
R	H	CD1	LEU	A	82	L	H	HZ1	LYS	V	244
R	H	CD1	LEU	A	82	L	H	HZ2	LYS	V	244
R	H	CD1	LEU	A	82	L	H	HZ3	LYS	V	244
R	H	CD2	LEU	A	82	L	H	NZ	LYS	V	244
R	H	CD2	LEU	A	82	L	H	HZ1	LYS	V	244
R	H	CD2	LEU	A	82	L	H	HZ2	LYS	V	244
R	S	OG	SER	A	93	L	H	HD11	LEU	V	314
R	S	OG	SER	A	93	L	H	HD12	LEU	V	314
R	H	CB	SER	A	95	L	H	HD12	LEU	V	314
R	H	OG	SER	A	95	L	H	CD1	LEU	V	314
R	H	OG	SER	A	95	L	H	HB3	LEU	V	314
R	H	OG	SER	A	95	L	H	HD11	LEU	V	314
R	H	OG	SER	A	95	L	H	HD12	LEU	V	314
R	H	OG	SER	A	95	L	H	HD13	LEU	V	314
R	H	OG	SER	A	95	L	H	HD23	LEU	V	314
R	H	CD	GLU	A	96	L	H	HB2	CYS	V	311
R	H	OE1	GLU	A	96	L	H	O	GLN	V	307
R	H	OE1	GLU	A	96	L	H	HB3	GLN	V	307
R	H	OE1	GLU	A	96	L	H	CB	CYS	V	311
R	H	OE1	GLU	A	96	L	H	HB2	CYS	V	311
R	H	OE2	GLU	A	96	L	H	HB2	CYS	V	311
R	H	CG2	ILE	A	99	L	H	CD2	LEU	V	297
R	H	CG2	ILE	A	99	L	H	HD21	LEU	V	297
R	H	CG2	ILE	A	99	L	H	HD22	LEU	V	297
R	H	CG2	ILE	A	99	L	H	HD23	LEU	V	297
R	H	CG2	ILE	A	99	L	H	HD23	LEU	V	301
R	H	CG	PHE	A	102	L	H	HZ	PHE	V	42
R	H	CD1	PHE	A	102	L	H	HZ	PHE	V	42
R	H	CD2	PHE	A	102	L	H	HZ	PHE	V	42
R	H	CE1	PHE	A	102	L	H	CE1	PHE	V	42
R	H	CE1	PHE	A	102	L	H	CZ	PHE	V	42
R	H	CE1	PHE	A	102	L	H	HE1	PHE	V	42
R	H	CE1	PHE	A	102	L	H	HZ	PHE	V	42
R	H	CE2	PHE	A	102	L	H	CE1	PHE	V	42
R	H	CE2	PHE	A	102	L	H	CZ	PHE	V	42
R	H	CE2	PHE	A	102	L	H	HE1	PHE	V	42
R	H	CE2	PHE	A	102	L	H	HZ	PHE	V	42
R	H	CZ	PHE	A	102	L	H	CE1	PHE	V	42
R	H	CZ	PHE	A	102	L	H	CZ	PHE	V	42
R	H	CZ	PHE	A	102	L	H	HE1	PHE	V	42
R	H	CZ	PHE	A	102	L	H	HZ	PHE	V	42
R	H	CB	SER	A	103	L	H	HD13	LEU	V	301
R	H	OG	SER	A	103	L	H	CD1	LEU	V	301
R	H	OG	SER	A	103	L	H	HD12	LEU	V	301
R	H	OG	SER	A	103	L	H	HD13	LEU	V	301
R	-	OG1	THR	A	137	L	H	HZ1	LYS	V	279
R	-	OG1	THR	A	137	L	H	HZ3	LYS	V	279
R	H	C	ASN	A	138	L	H	HZ3	LYS	V	279
R	H	N	GLY	A	139	L	H	NZ	LYS	V	279
R	H	N	GLY	A	139	L	H	HD2	LYS	V	279
R	H	N	GLY	A	139	L	H	HE3	LYS	V	279
R	H	N	GLY	A	139	L	H	HZ1	LYS	V	279
R	H	N	GLY	A	139	L	H	HZ3	LYS	V	279
R	H	CA	GLY	A	139	L	H	CD	LYS	V	279
R	H	CA	GLY	A	139	L	H	CE	LYS	V	279
R	H	CA	GLY	A	139	L	H	NZ	LYS	V	279
R	H	CA	GLY	A	139	L	H	HD2	LYS	V	279
R	H	CA	GLY	A	139	L	H	HD3	LYS	V	279
R	H	CA	GLY	A	139	L	H	HE2	LYS	V	279
R	H	CA	GLY	A	139	L	H	HE3	LYS	V	279
R	H	CA	GLY	A	139	L	H	HZ1	LYS	V	279
R	H	CA	GLY	A	139	L	H	HZ2	LYS	V	279
R	H	CA	GLY	A	139	L	H	HZ3	LYS	V	279
R	H	C	GLY	A	139	L	H	CD	LYS	V	279
R	H	C	GLY	A	139	L	H	CE	LYS	V	279
R	H	C	GLY	A	139	L	H	NZ	LYS	V	279
R	H	C	GLY	A	139	L	H	HD2	LYS	V	279
R	H	C	GLY	A	139	L	H	HE2	LYS	V	279
R	H	C	GLY	A	139	L	H	HE3	LYS	V	279
R	H	C	GLY	A	139	L	H	HZ1	LYS	V	279
R	H	C	GLY	A	139	L	H	HZ2	LYS	V	279
R	H	C	GLY	A	139	L	H	HZ3	LYS	V	279
R	H	O	GLY	A	139	L	H	CD	LYS	V	279
R	H	O	GLY	A	139	L	H	CE	LYS	V	279
R	H	O	GLY	A	139	L	H	NZ	LYS	V	279
R	H	O	GLY	A	139	L	H	HG2	LYS	V	279
R	H	O	GLY	A	139	L	H	HD2	LYS	V	279
R	H	O	GLY	A	139	L	H	HE2	LYS	V	279
R	H	O	GLY	A	139	L	H	HE3	LYS	V	279
R	H	O	GLY	A	139	L	H	HZ1	LYS	V	279
R	H	O	GLY	A	139	L	H	HZ3	LYS	V	279
R	H	N	LEU	A	140	L	H	CE	LYS	V	279
R	H	N	LEU	A	140	L	H	NZ	LYS	V	279
R	H	N	LEU	A	140	L	H	HE3	LYS	V	279
R	H	N	LEU	A	140	L	H	HZ1	LYS	V	279
R	H	N	LEU	A	140	L	H	HZ3	LYS	V	279
R	H	CA	LEU	A	140	L	H	HE3	LYS	V	279
R	H	CA	LEU	A	140	L	H	HZ1	LYS	V	279
R	H	CB	ILE	A	142	L	H	CZ	PHE	V	266
R	H	CB	ILE	A	142	L	H	HZ	PHE	V	266
R	H	CG1	ILE	A	142	L	H	CE1	PHE	V	266
R	H	CG1	ILE	A	142	L	H	CE2	PHE	V	266
R	H	CG1	ILE	A	142	L	H	CZ	PHE	V	266
R	H	CG1	ILE	A	142	L	H	HE2	PHE	V	266
R	H	CG1	ILE	A	142	L	H	HZ	PHE	V	266
R	H	CG2	ILE	A	142	L	H	CZ	PHE	V	266
R	H	CG2	ILE	A	142	L	H	HE1	PHE	V	266
R	H	CG2	ILE	A	142	L	H	HZ	PHE	V	266
R	H	CD1	ILE	A	142	L	H	CD1	PHE	V	266
R	H	CD1	ILE	A	142	L	H	CD2	PHE	V	266
R	H	CD1	ILE	A	142	L	H	CE1	PHE	V	266
R	H	CD1	ILE	A	142	L	H	CE2	PHE	V	266
R	H	CD1	ILE	A	142	L	H	CZ	PHE	V	266
R	H	CD1	ILE	A	142	L	H	HE1	PHE	V	266
R	H	CD1	ILE	A	142	L	H	HE2	PHE	V	266
R	H	CD1	ILE	A	142	L	H	HZ	PHE	V	266
R	H	CG	ARG	A	143	L	H	HG2	LYS	V	279
R	H	CG	ARG	A	143	L	H	HE3	LYS	V	279
R	H	CD	ARG	A	143	L	H	CE	LYS	V	279
R	H	CD	ARG	A	143	L	H	HG2	LYS	V	279
R	H	CD	ARG	A	143	L	H	HE2	LYS	V	279
R	H	CD	ARG	A	143	L	H	HE3	LYS	V	279
R	H	NE	ARG	A	143	L	H	CG	LYS	V	279
R	H	NE	ARG	A	143	L	H	CD	LYS	V	279
R	H	NE	ARG	A	143	L	H	CE	LYS	V	279
R	H	NE	ARG	A	143	L	H	HG2	LYS	V	279
R	H	NE	ARG	A	143	L	H	HG3	LYS	V	279
R	H	NE	ARG	A	143	L	H	HE2	LYS	V	279
R	H	NE	ARG	A	143	L	H	HE3	LYS	V	279
R	H	NH1	ARG	A	143	L	H	HE2	LYS	V	279
R	H	NH2	ARG	A	143	L	-	HB3	SER	V	277
R	H	NH2	ARG	A	143	L	H	HB2	ASP	V	278
R	H	NH2	ARG	A	143	L	H	CG	LYS	V	279
R	H	NH2	ARG	A	143	L	H	CE	LYS	V	279
R	H	NH2	ARG	A	143	L	H	HG3	LYS	V	279
R	H	NH2	ARG	A	143	L	H	HE2	LYS	V	279
R	H	CZ	ARG	A	143	L	H	CE	LYS	V	279
R	H	CZ	ARG	A	143	L	H	HG3	LYS	V	279
R	H	CZ	ARG	A	143	L	H	HE2	LYS	V	279
R	H	CZ	ARG	A	143	L	H	HE3	LYS	V	279
R	H	CA	ILE	A	146	L	H	HE2	PHE	V	286
R	H	CB	ILE	A	146	L	H	HE2	PHE	V	286
R	H	CG1	ILE	A	146	L	H	CE2	PHE	V	286
R	H	CG1	ILE	A	146	L	H	HE2	PHE	V	286
R	H	CD1	ILE	A	146	L	H	CA	GLY	V	282
R	H	CD1	ILE	A	146	L	H	HA2	GLY	V	282
R	H	CD1	ILE	A	146	L	H	HA3	GLY	V	282
R	H	CD1	ILE	A	146	L	H	HE2	PHE	V	286
R	H	CG	TYR	A	149	L	H	HZ	PHE	V	286
R	H	CD2	TYR	A	149	L	H	HZ	PHE	V	286
R	H	CE2	TYR	A	149	L	H	HZ	PHE	V	286
R	H	CG1	VAL	A	150	L	H	HD12	LEU	V	39
R	H	CG1	VAL	A	150	L	H	HD13	LEU	V	39
R	H	CG2	ILE	A	153	L	H	HD23	LEU	V	39
R	H	CD1	ILE	A	153	L	H	HD13	ILE	V	290
R	H	CD1	ILE	A	153	L	H	HE1	MET	V	293
R	H	CG	LEU	A	154	L	H	CD2	LEU	V	39
R	H	CG	LEU	A	154	L	H	HD12	LEU	V	39
R	H	CG	LEU	A	154	L	H	HD22	LEU	V	39
R	H	CD1	LEU	A	154	L	H	HD12	LEU	V	39
R	H	CD2	LEU	A	154	L	H	HG12	VAL	V	35
R	H	CD2	LEU	A	154	L	H	CG	LEU	V	39
R	H	CD2	LEU	A	154	L	H	CD1	LEU	V	39
R	H	CD2	LEU	A	154	L	H	CD2	LEU	V	39
R	H	CD2	LEU	A	154	L	H	HG	LEU	V	39
R	H	CD2	LEU	A	154	L	H	HD12	LEU	V	39
R	H	CD2	LEU	A	154	L	H	HD21	LEU	V	39
R	H	CD2	LEU	A	154	L	H	HD22	LEU	V	39
R	H	CD2	LEU	A	154	L	H	HD23	LEU	V	39
R	H	CD1	LEU	A	157	L	H	CD2	LEU	V	39
R	H	CD1	LEU	A	157	L	H	HD21	LEU	V	39
R	H	CD1	LEU	A	157	L	H	HD22	LEU	V	39
R	H	CD2	LEU	A	157	L	H	CG	PHE	V	42
R	H	CD2	LEU	A	157	L	H	CD1	PHE	V	42
R	H	CD2	LEU	A	157	L	H	CD2	PHE	V	42
R	H	CD2	LEU	A	157	L	H	CE1	PHE	V	42
R	H	CD2	LEU	A	157	L	H	CE2	PHE	V	42
R	H	CD2	LEU	A	157	L	H	CZ	PHE	V	42
R	H	CD2	LEU	A	157	L	H	HE1	PHE	V	42
R	H	CD2	LEU	A	157	L	H	HE2	PHE	V	42
R	H	CD2	LEU	A	157	L	H	HZ	PHE	V	42
R	H	CB	HIS	A	308	L	H	HB1	ALA	V	228
R	H	CB	HIS	A	308	L	H	HB2	ALA	V	228
R	H	CG	HIS	A	308	L	H	CB	ALA	V	228
R	H	CG	HIS	A	308	L	H	HB1	ALA	V	228
R	H	CG	HIS	A	308	L	H	HB2	ALA	V	228
R	H	CD2	HIS	A	308	L	H	HB2	ALA	V	228
R	H	ND1	HIS	A	308	L	H	O	SER	V	224
R	H	ND1	HIS	A	308	L	H	CA	ALA	V	228
R	H	ND1	HIS	A	308	L	H	CB	ALA	V	228
R	H	ND1	HIS	A	308	L	H	HA	ALA	V	228
R	H	ND1	HIS	A	308	L	H	HB1	ALA	V	228
R	H	ND1	HIS	A	308	L	H	HB2	ALA	V	228
R	H	ND1	HIS	A	308	L	H	HB3	ALA	V	228
R	H	CE1	HIS	A	308	L	H	C	SER	V	224
R	H	CE1	HIS	A	308	L	H	O	SER	V	224
R	H	CE1	HIS	A	308	L	H	HB3	SER	V	224
R	H	CE1	HIS	A	308	L	H	CB	ALA	V	228
R	H	CE1	HIS	A	308	L	H	HB2	ALA	V	228
R	H	NE2	HIS	A	308	L	H	HB3	SER	V	224
R	H	NE2	HIS	A	308	L	H	HB2	ALA	V	228
R	H	CG1	VAL	A	311	L	H	HG13	VAL	V	225
R	H	CG1	VAL	A	311	L	H	HG22	VAL	V	225
R	-	CA	SER	A	312	L	H	HE1	HIS	V	229
R	-	OG	SER	A	312	L	H	HB1	ALA	V	228

- 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