IID

Q00889_Q96DU3.1 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	-	MET	A	1	L	-	THR	V	295
R	-	THR	A	10	L	H	SER	V	310
R	-	THR	A	10	L	H	ASN	V	313
R	-	THR	A	10	L	H	HIS	V	314
R	-	TYR	A	101	L	S	PHE	V	52
R	-	TYR	A	101	L	S	PHE	V	64
R	-	SER	A	102	L	S	THR	V	54
R	-	SER	A	102	L	S	LEU	V	56
R	-	SER	A	102	L	S	SER	V	61
R	-	ASN	A	103	L	S	THR	V	54
R	-	ASN	A	103	L	S	LEU	V	56
R	-	ASN	A	103	L	S	SER	V	61
R	-	ASN	A	103	L	S	PHE	V	64
R	-	GLN	A	11	L	H	HIS	V	314
R	-	HIS	A	12	L	H	ASN	V	313
R	-	HIS	A	12	L	H	HIS	V	314
R	-	HIS	A	12	L	-	GLU	V	317
R	-	ARG	A	126	L	-	ASN	V	58
R	-	ARG	A	126	L	-	GLU	V	59
R	-	ILE	A	13	L	-	GLU	V	317
R	-	THR	A	14	L	-	GLU	V	317
R	-	THR	A	21	L	-	PHE	V	322
R	-	THR	A	21	L	-	SER	V	323
R	-	THR	A	21	L	-	ARG	V	324
R	-	THR	A	21	L	-	ALA	V	325
R	-	SER	A	23	L	-	ALA	V	327
R	-	LEU	A	25	L	-	ALA	V	327
R	-	LEU	A	25	L	-	ASP	V	329
R	-	ASN	A	26	L	-	ASP	V	329
R	-	LEU	A	4	L	-	TRP	V	298
R	-	LEU	A	4	L	-	PRO	V	300
R	-	SER	A	5	L	-	PRO	V	300
R	S	VAL	A	55	L	-	THR	V	78
R	-	LEU	A	58	L	S	THR	V	60
R	-	LEU	A	58	L	S	SER	V	61
R	-	LEU	A	58	L	-	THR	V	78
R	-	PRO	A	59	L	S	THR	V	60
R	-	GLN	A	60	L	S	PHE	V	57
R	-	GLN	A	60	L	-	ASN	V	58
R	-	GLN	A	60	L	S	THR	V	60
R	-	GLN	A	60	L	-	ASN	V	79
R	-	GLN	A	60	L	H	LYS	V	81
R	-	GLN	A	60	L	H	GLN	V	82
R	-	ASN	A	61	L	S	THR	V	60
R	S	LEU	A	62	L	-	ASN	V	58
R	S	LEU	A	62	L	-	GLU	V	59
R	S	LEU	A	62	L	S	THR	V	60
R	S	LEU	A	62	L	S	SER	V	61
R	S	THR	A	63	L	-	GLU	V	59
R	-	PRO	A	7	L	-	THR	V	305
R	-	TYR	A	76	L	-	GLN	V	6
R	-	TYR	A	76	L	-	LEU	V	8
R	-	PRO	A	8	L	-	THR	V	307
R	-	PRO	A	8	L	H	SER	V	310
R	S	TYR	A	82	L	S	GLN	V	110
R	S	TYR	A	82	L	S	LEU	V	56
R	-	VAL	A	84	L	S	ARG	V	108
R	-	VAL	A	84	L	-	GLU	V	59
R	-	HIS	A	85	L	S	ARG	V	108
R	-	HIS	A	85	L	S	LEU	V	119
R	-	GLY	A	86	L	S	LEU	V	119
R	-	GLY	A	86	L	S	VAL	V	20
R	S	TYR	A	90	L	-	CYS	V	13
R	S	TYR	A	90	L	-	GLY	V	15
R	S	TYR	A	90	L	-	PRO	V	16
R	S	TYR	A	90	L	-	GLY	V	17
R	S	TYR	A	90	L	-	ASN	V	18
R	-	GLY	A	91	L	-	CYS	V	13
R	-	PRO	A	92	L	-	VAL	V	11
R	-	TYR	A	94	L	-	CYS	V	13
R	-	TYR	A	94	L	-	GLY	V	15
R	-	TYR	A	94	L	-	PRO	V	16
R	S	THR	A	99	L	S	PHE	V	52

- 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

Q00889_Q96DU3.1 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	-	CG	MET	A	1	L	-	HG23	THR	V	295
R	-	CE	MET	A	1	L	-	HG23	THR	V	295
R	-	CB	LEU	A	4	L	-	HG2	PRO	V	300
R	-	CG	LEU	A	4	L	-	HG2	PRO	V	300
R	-	CD1	LEU	A	4	L	-	HG2	PRO	V	300
R	-	CD2	LEU	A	4	L	-	O	TRP	V	298
R	-	CD2	LEU	A	4	L	-	HG2	PRO	V	300
R	-	CD2	LEU	A	4	L	-	HD2	PRO	V	300
R	-	CB	SER	A	5	L	-	HG3	PRO	V	300
R	-	OG	SER	A	5	L	-	HG2	PRO	V	300
R	-	OG	SER	A	5	L	-	HG3	PRO	V	300
R	-	C	PRO	A	7	L	-	HG1	THR	V	305
R	-	O	PRO	A	7	L	-	OG1	THR	V	305
R	-	O	PRO	A	7	L	-	HG1	THR	V	305
R	-	CB	PRO	A	8	L	-	OG1	THR	V	307
R	-	CB	PRO	A	8	L	-	H	THR	V	307
R	-	CB	PRO	A	8	L	-	HG1	THR	V	307
R	-	CB	PRO	A	8	L	H	HB3	SER	V	310
R	-	CG	PRO	A	8	L	-	CB	THR	V	307
R	-	CG	PRO	A	8	L	-	CG2	THR	V	307
R	-	CG	PRO	A	8	L	-	OG1	THR	V	307
R	-	CG	PRO	A	8	L	-	H	THR	V	307
R	-	CG	PRO	A	8	L	-	HG1	THR	V	307
R	-	CG	PRO	A	8	L	-	HG21	THR	V	307
R	-	CG	PRO	A	8	L	-	HG23	THR	V	307
R	-	CG	PRO	A	8	L	H	HB3	SER	V	310
R	-	CD	PRO	A	8	L	-	OG1	THR	V	307
R	-	CD	PRO	A	8	L	-	HG1	THR	V	307
R	-	CD	PRO	A	8	L	-	HG21	THR	V	307
R	-	CA	THR	A	10	L	H	HE2	HIS	V	314
R	-	CG2	THR	A	10	L	H	HA	SER	V	310
R	-	CG2	THR	A	10	L	H	HB2	SER	V	310
R	-	CG2	THR	A	10	L	H	HB2	ASN	V	313
R	-	CG2	THR	A	10	L	H	HB3	ASN	V	313
R	-	CG2	THR	A	10	L	H	HD21	ASN	V	313
R	-	CG2	THR	A	10	L	H	NE2	HIS	V	314
R	-	CG2	THR	A	10	L	H	HD2	HIS	V	314
R	-	CG2	THR	A	10	L	H	HE2	HIS	V	314
R	-	OG1	THR	A	10	L	H	HD21	ASN	V	313
R	-	O	GLN	A	11	L	H	CE1	HIS	V	314
R	-	O	GLN	A	11	L	H	HE1	HIS	V	314
R	-	CA	HIS	A	12	L	-	OE2	GLU	V	317
R	-	C	HIS	A	12	L	-	OE2	GLU	V	317
R	-	CB	HIS	A	12	L	-	CD	GLU	V	317
R	-	CB	HIS	A	12	L	-	OE2	GLU	V	317
R	-	CG	HIS	A	12	L	-	CD	GLU	V	317
R	-	CG	HIS	A	12	L	-	OE2	GLU	V	317
R	-	CG	HIS	A	12	L	-	HB2	GLU	V	317
R	-	CD2	HIS	A	12	L	H	O	ASN	V	313
R	-	CD2	HIS	A	12	L	H	HB3	ASN	V	313
R	-	CD2	HIS	A	12	L	-	OE2	GLU	V	317
R	-	CD2	HIS	A	12	L	-	HB2	GLU	V	317
R	-	ND1	HIS	A	12	L	-	CB	GLU	V	317
R	-	ND1	HIS	A	12	L	-	CG	GLU	V	317
R	-	ND1	HIS	A	12	L	-	CD	GLU	V	317
R	-	ND1	HIS	A	12	L	-	OE1	GLU	V	317
R	-	ND1	HIS	A	12	L	-	OE2	GLU	V	317
R	-	ND1	HIS	A	12	L	-	HB2	GLU	V	317
R	-	ND1	HIS	A	12	L	-	HB3	GLU	V	317
R	-	ND1	HIS	A	12	L	-	HG2	GLU	V	317
R	-	CE1	HIS	A	12	L	H	O	ASN	V	313
R	-	CE1	HIS	A	12	L	H	HA	HIS	V	314
R	-	CE1	HIS	A	12	L	-	N	GLU	V	317
R	-	CE1	HIS	A	12	L	-	CA	GLU	V	317
R	-	CE1	HIS	A	12	L	-	CB	GLU	V	317
R	-	CE1	HIS	A	12	L	-	CG	GLU	V	317
R	-	CE1	HIS	A	12	L	-	CD	GLU	V	317
R	-	CE1	HIS	A	12	L	-	OE2	GLU	V	317
R	-	CE1	HIS	A	12	L	-	H	GLU	V	317
R	-	CE1	HIS	A	12	L	-	HB2	GLU	V	317
R	-	CE1	HIS	A	12	L	-	HB3	GLU	V	317
R	-	NE2	HIS	A	12	L	H	C	ASN	V	313
R	-	NE2	HIS	A	12	L	H	O	ASN	V	313
R	-	NE2	HIS	A	12	L	H	HB3	ASN	V	313
R	-	NE2	HIS	A	12	L	H	HA	HIS	V	314
R	-	NE2	HIS	A	12	L	-	OE2	GLU	V	317
R	-	NE2	HIS	A	12	L	-	HB2	GLU	V	317
R	-	N	ILE	A	13	L	-	OE2	GLU	V	317
R	-	C	ILE	A	13	L	-	OE1	GLU	V	317
R	-	O	ILE	A	13	L	-	CD	GLU	V	317
R	-	O	ILE	A	13	L	-	OE1	GLU	V	317
R	-	O	ILE	A	13	L	-	HG2	GLU	V	317
R	-	N	THR	A	14	L	-	OE1	GLU	V	317
R	-	CA	THR	A	14	L	-	OE1	GLU	V	317
R	-	CG2	THR	A	14	L	-	OE1	GLU	V	317
R	-	N	THR	A	21	L	-	HE1	PHE	V	322
R	-	N	THR	A	21	L	-	O	SER	V	323
R	-	N	THR	A	21	L	-	HB2	ALA	V	325
R	-	CA	THR	A	21	L	-	HE1	PHE	V	322
R	-	CA	THR	A	21	L	-	H	ALA	V	325
R	-	CA	THR	A	21	L	-	HB3	ALA	V	325
R	-	C	THR	A	21	L	-	CB	ALA	V	325
R	-	C	THR	A	21	L	-	HB2	ALA	V	325
R	-	C	THR	A	21	L	-	HB3	ALA	V	325
R	-	CB	THR	A	21	L	-	HD1	PHE	V	322
R	-	CB	THR	A	21	L	-	HE1	PHE	V	322
R	-	CB	THR	A	21	L	-	O	SER	V	323
R	-	CB	THR	A	21	L	-	HA	ARG	V	324
R	-	CB	THR	A	21	L	-	N	ALA	V	325
R	-	CB	THR	A	21	L	-	CB	ALA	V	325
R	-	CB	THR	A	21	L	-	H	ALA	V	325
R	-	CB	THR	A	21	L	-	HB2	ALA	V	325
R	-	CB	THR	A	21	L	-	HB3	ALA	V	325
R	-	O	THR	A	21	L	-	CB	ALA	V	325
R	-	O	THR	A	21	L	-	H	ALA	V	325
R	-	O	THR	A	21	L	-	HB1	ALA	V	325
R	-	O	THR	A	21	L	-	HB2	ALA	V	325
R	-	O	THR	A	21	L	-	HB3	ALA	V	325
R	-	CG2	THR	A	21	L	-	CD1	PHE	V	322
R	-	CG2	THR	A	21	L	-	CE1	PHE	V	322
R	-	CG2	THR	A	21	L	-	HD1	PHE	V	322
R	-	CG2	THR	A	21	L	-	HE1	PHE	V	322
R	-	CG2	THR	A	21	L	-	C	SER	V	323
R	-	CG2	THR	A	21	L	-	O	SER	V	323
R	-	CG2	THR	A	21	L	-	HA	ARG	V	324
R	-	CG2	THR	A	21	L	-	H	ALA	V	325
R	-	OG1	THR	A	21	L	-	C	SER	V	323
R	-	OG1	THR	A	21	L	-	O	SER	V	323
R	-	OG1	THR	A	21	L	-	N	ARG	V	324
R	-	OG1	THR	A	21	L	-	CA	ARG	V	324
R	-	OG1	THR	A	21	L	-	C	ARG	V	324
R	-	OG1	THR	A	21	L	-	HA	ARG	V	324
R	-	OG1	THR	A	21	L	-	N	ALA	V	325
R	-	OG1	THR	A	21	L	-	CA	ALA	V	325
R	-	OG1	THR	A	21	L	-	CB	ALA	V	325
R	-	OG1	THR	A	21	L	-	H	ALA	V	325
R	-	OG1	THR	A	21	L	-	HA	ALA	V	325
R	-	OG1	THR	A	21	L	-	HB2	ALA	V	325
R	-	OG1	THR	A	21	L	-	HB3	ALA	V	325
R	-	N	SER	A	23	L	-	HB2	ALA	V	327
R	-	CA	SER	A	23	L	-	CB	ALA	V	327
R	-	CA	SER	A	23	L	-	HB2	ALA	V	327
R	-	CA	SER	A	23	L	-	HB3	ALA	V	327
R	-	C	SER	A	23	L	-	HB3	ALA	V	327
R	-	CB	SER	A	23	L	-	N	ALA	V	327
R	-	CB	SER	A	23	L	-	CA	ALA	V	327
R	-	CB	SER	A	23	L	-	CB	ALA	V	327
R	-	CB	SER	A	23	L	-	H	ALA	V	327
R	-	CB	SER	A	23	L	-	HB1	ALA	V	327
R	-	CB	SER	A	23	L	-	HB2	ALA	V	327
R	-	CB	SER	A	23	L	-	HB3	ALA	V	327
R	-	O	SER	A	23	L	-	HB3	ALA	V	327
R	-	OG	SER	A	23	L	-	N	ALA	V	327
R	-	OG	SER	A	23	L	-	CA	ALA	V	327
R	-	OG	SER	A	23	L	-	C	ALA	V	327
R	-	OG	SER	A	23	L	-	CB	ALA	V	327
R	-	OG	SER	A	23	L	-	O	ALA	V	327
R	-	OG	SER	A	23	L	-	H	ALA	V	327
R	-	OG	SER	A	23	L	-	HB1	ALA	V	327
R	-	OG	SER	A	23	L	-	HB2	ALA	V	327
R	-	OG	SER	A	23	L	-	HB3	ALA	V	327
R	-	C	LEU	A	25	L	-	OD2	ASP	V	329
R	-	O	LEU	A	25	L	-	OD2	ASP	V	329
R	-	CD1	LEU	A	25	L	-	O	ALA	V	327
R	-	N	ASN	A	26	L	-	OD2	ASP	V	329
R	-	CA	ASN	A	26	L	-	OD2	ASP	V	329
R	-	CB	ASN	A	26	L	-	CG	ASP	V	329
R	-	CB	ASN	A	26	L	-	OD2	ASP	V	329
R	-	CG	ASN	A	26	L	-	CB	ASP	V	329
R	-	CG	ASN	A	26	L	-	CG	ASP	V	329
R	-	CG	ASN	A	26	L	-	OD1	ASP	V	329
R	-	CG	ASN	A	26	L	-	OD2	ASP	V	329
R	-	CG	ASN	A	26	L	-	HB2	ASP	V	329
R	-	CG	ASN	A	26	L	-	HB3	ASP	V	329
R	-	ND2	ASN	A	26	L	-	CA	ASP	V	329
R	-	ND2	ASN	A	26	L	-	CB	ASP	V	329
R	-	ND2	ASN	A	26	L	-	CG	ASP	V	329
R	-	ND2	ASN	A	26	L	-	OD1	ASP	V	329
R	-	ND2	ASN	A	26	L	-	OD2	ASP	V	329
R	-	ND2	ASN	A	26	L	-	HA	ASP	V	329
R	-	ND2	ASN	A	26	L	-	HB2	ASP	V	329
R	-	ND2	ASN	A	26	L	-	HB3	ASP	V	329
R	-	OD1	ASN	A	26	L	-	CB	ASP	V	329
R	-	OD1	ASN	A	26	L	-	CG	ASP	V	329
R	-	OD1	ASN	A	26	L	-	OD2	ASP	V	329
R	-	OD1	ASN	A	26	L	-	HB2	ASP	V	329
R	-	OD1	ASN	A	26	L	-	HB3	ASP	V	329
R	S	O	VAL	A	55	L	-	HG23	THR	V	78
R	-	C	LEU	A	58	L	S	HG23	THR	V	60
R	-	CB	LEU	A	58	L	S	HG23	THR	V	60
R	-	O	LEU	A	58	L	S	HG21	THR	V	60
R	-	O	LEU	A	58	L	S	HG23	THR	V	60
R	-	CD1	LEU	A	58	L	S	CB	SER	V	61
R	-	CD1	LEU	A	58	L	S	H	SER	V	61
R	-	CD1	LEU	A	58	L	S	HB2	SER	V	61
R	-	CD1	LEU	A	58	L	S	HB3	SER	V	61
R	-	CD1	LEU	A	58	L	-	HG21	THR	V	78
R	-	C	PRO	A	59	L	S	CG2	THR	V	60
R	-	C	PRO	A	59	L	S	OG1	THR	V	60
R	-	C	PRO	A	59	L	S	HG21	THR	V	60
R	-	C	PRO	A	59	L	S	HG23	THR	V	60
R	-	O	PRO	A	59	L	S	CB	THR	V	60
R	-	O	PRO	A	59	L	S	CG2	THR	V	60
R	-	O	PRO	A	59	L	S	OG1	THR	V	60
R	-	O	PRO	A	59	L	S	HA	THR	V	60
R	-	O	PRO	A	59	L	S	HG1	THR	V	60
R	-	O	PRO	A	59	L	S	HG21	THR	V	60
R	-	O	PRO	A	59	L	S	HG22	THR	V	60
R	-	O	PRO	A	59	L	S	HG23	THR	V	60
R	-	N	GLN	A	60	L	S	CG2	THR	V	60
R	-	N	GLN	A	60	L	S	OG1	THR	V	60
R	-	N	GLN	A	60	L	S	HG21	THR	V	60
R	-	N	GLN	A	60	L	S	HG23	THR	V	60
R	-	CA	GLN	A	60	L	S	CB	THR	V	60
R	-	CA	GLN	A	60	L	S	CG2	THR	V	60
R	-	CA	GLN	A	60	L	S	OG1	THR	V	60
R	-	CA	GLN	A	60	L	S	HB	THR	V	60
R	-	CA	GLN	A	60	L	S	HG1	THR	V	60
R	-	CA	GLN	A	60	L	S	HG21	THR	V	60
R	-	CA	GLN	A	60	L	S	HG23	THR	V	60
R	-	C	GLN	A	60	L	S	CB	THR	V	60
R	-	C	GLN	A	60	L	S	OG1	THR	V	60
R	-	C	GLN	A	60	L	S	HB	THR	V	60
R	-	C	GLN	A	60	L	S	HG1	THR	V	60
R	-	C	GLN	A	60	L	S	HG21	THR	V	60
R	-	CB	GLN	A	60	L	S	OG1	THR	V	60
R	-	CB	GLN	A	60	L	S	HG21	THR	V	60
R	-	O	GLN	A	60	L	S	O	PHE	V	57
R	-	O	GLN	A	60	L	-	O	ASN	V	58
R	-	O	GLN	A	60	L	-	HB3	ASN	V	58
R	-	O	GLN	A	60	L	S	N	THR	V	60
R	-	O	GLN	A	60	L	S	CA	THR	V	60
R	-	O	GLN	A	60	L	S	CB	THR	V	60
R	-	O	GLN	A	60	L	S	CG2	THR	V	60
R	-	O	GLN	A	60	L	S	OG1	THR	V	60
R	-	O	GLN	A	60	L	S	H	THR	V	60
R	-	O	GLN	A	60	L	S	HB	THR	V	60
R	-	O	GLN	A	60	L	S	HG1	THR	V	60
R	-	O	GLN	A	60	L	S	HG21	THR	V	60
R	-	CG	GLN	A	60	L	S	HG21	THR	V	60
R	-	CG	GLN	A	60	L	-	ND2	ASN	V	79
R	-	CG	GLN	A	60	L	-	HD22	ASN	V	79
R	-	CG	GLN	A	60	L	H	HD3	LYS	V	81
R	-	CG	GLN	A	60	L	H	HZ3	LYS	V	81
R	-	CD	GLN	A	60	L	-	HD22	ASN	V	79
R	-	CD	GLN	A	60	L	H	CD	LYS	V	81
R	-	CD	GLN	A	60	L	H	CE	LYS	V	81
R	-	CD	GLN	A	60	L	H	NZ	LYS	V	81
R	-	CD	GLN	A	60	L	H	HD3	LYS	V	81
R	-	CD	GLN	A	60	L	H	HE3	LYS	V	81
R	-	CD	GLN	A	60	L	H	HZ3	LYS	V	81
R	-	NE2	GLN	A	60	L	-	ND2	ASN	V	79
R	-	NE2	GLN	A	60	L	-	OD1	ASN	V	79
R	-	NE2	GLN	A	60	L	-	HD22	ASN	V	79
R	-	NE2	GLN	A	60	L	H	CB	LYS	V	81
R	-	NE2	GLN	A	60	L	H	CG	LYS	V	81
R	-	NE2	GLN	A	60	L	H	CD	LYS	V	81
R	-	NE2	GLN	A	60	L	H	CE	LYS	V	81
R	-	NE2	GLN	A	60	L	H	NZ	LYS	V	81
R	-	NE2	GLN	A	60	L	H	HB2	LYS	V	81
R	-	NE2	GLN	A	60	L	H	HG3	LYS	V	81
R	-	NE2	GLN	A	60	L	H	HD2	LYS	V	81
R	-	NE2	GLN	A	60	L	H	HD3	LYS	V	81
R	-	NE2	GLN	A	60	L	H	HE3	LYS	V	81
R	-	NE2	GLN	A	60	L	H	HZ2	LYS	V	81
R	-	NE2	GLN	A	60	L	H	HZ3	LYS	V	81
R	-	NE2	GLN	A	60	L	H	HE22	GLN	V	82
R	-	OE1	GLN	A	60	L	H	CD	LYS	V	81
R	-	OE1	GLN	A	60	L	H	CE	LYS	V	81
R	-	OE1	GLN	A	60	L	H	NZ	LYS	V	81
R	-	OE1	GLN	A	60	L	H	HD3	LYS	V	81
R	-	OE1	GLN	A	60	L	H	HE3	LYS	V	81
R	-	OE1	GLN	A	60	L	H	HZ1	LYS	V	81
R	-	OE1	GLN	A	60	L	H	HZ2	LYS	V	81
R	-	OE1	GLN	A	60	L	H	HZ3	LYS	V	81
R	-	N	ASN	A	61	L	S	OG1	THR	V	60
R	-	N	ASN	A	61	L	S	HG1	THR	V	60
R	-	CA	ASN	A	61	L	S	HG1	THR	V	60
R	S	N	LEU	A	62	L	-	O	ASN	V	58
R	S	N	LEU	A	62	L	-	HB3	GLU	V	59
R	S	N	LEU	A	62	L	S	OG1	THR	V	60
R	S	N	LEU	A	62	L	S	HG1	THR	V	60
R	S	CA	LEU	A	62	L	-	HB3	GLU	V	59
R	S	C	LEU	A	62	L	-	CB	GLU	V	59
R	S	C	LEU	A	62	L	-	HB2	GLU	V	59
R	S	C	LEU	A	62	L	-	HB3	GLU	V	59
R	S	C	LEU	A	62	L	-	HG3	GLU	V	59
R	S	CB	LEU	A	62	L	-	C	GLU	V	59
R	S	CB	LEU	A	62	L	-	O	GLU	V	59
R	S	CB	LEU	A	62	L	-	HB2	GLU	V	59
R	S	CB	LEU	A	62	L	-	HB3	GLU	V	59
R	S	CB	LEU	A	62	L	S	HA	THR	V	60
R	S	O	LEU	A	62	L	-	O	ASN	V	58
R	S	O	LEU	A	62	L	-	CA	GLU	V	59
R	S	O	LEU	A	62	L	-	CB	GLU	V	59
R	S	O	LEU	A	62	L	-	CG	GLU	V	59
R	S	O	LEU	A	62	L	-	HB2	GLU	V	59
R	S	O	LEU	A	62	L	-	HB3	GLU	V	59
R	S	O	LEU	A	62	L	-	HG2	GLU	V	59
R	S	O	LEU	A	62	L	-	HG3	GLU	V	59
R	S	CG	LEU	A	62	L	-	O	GLU	V	59
R	S	CG	LEU	A	62	L	S	OG1	THR	V	60
R	S	CG	LEU	A	62	L	S	HA	THR	V	60
R	S	CG	LEU	A	62	L	S	HG1	THR	V	60
R	S	CD1	LEU	A	62	L	-	C	GLU	V	59
R	S	CD1	LEU	A	62	L	-	O	GLU	V	59
R	S	CD1	LEU	A	62	L	S	CA	THR	V	60
R	S	CD1	LEU	A	62	L	S	OG1	THR	V	60
R	S	CD1	LEU	A	62	L	S	HA	THR	V	60
R	S	CD1	LEU	A	62	L	S	HG23	THR	V	60
R	S	CD1	LEU	A	62	L	S	H	SER	V	61
R	S	N	THR	A	63	L	-	HB3	GLU	V	59
R	-	CD1	TYR	A	76	L	-	CD1	LEU	V	8
R	-	CD1	TYR	A	76	L	-	HD12	LEU	V	8
R	-	CD1	TYR	A	76	L	-	HD23	LEU	V	8
R	-	CE1	TYR	A	76	L	-	CG	LEU	V	8
R	-	CE1	TYR	A	76	L	-	CD1	LEU	V	8
R	-	CE1	TYR	A	76	L	-	CD2	LEU	V	8
R	-	CE1	TYR	A	76	L	-	HG	LEU	V	8
R	-	CE1	TYR	A	76	L	-	HD11	LEU	V	8
R	-	CE1	TYR	A	76	L	-	HD12	LEU	V	8
R	-	CE1	TYR	A	76	L	-	HD13	LEU	V	8
R	-	CE1	TYR	A	76	L	-	HD21	LEU	V	8
R	-	CE1	TYR	A	76	L	-	HD22	LEU	V	8
R	-	CE1	TYR	A	76	L	-	HD23	LEU	V	8
R	-	CE2	TYR	A	76	L	-	HD12	LEU	V	8
R	-	CE2	TYR	A	76	L	-	HD22	LEU	V	8
R	-	CE2	TYR	A	76	L	-	HD23	LEU	V	8
R	-	OH	TYR	A	76	L	-	HE21	GLN	V	6
R	-	OH	TYR	A	76	L	-	CB	LEU	V	8
R	-	OH	TYR	A	76	L	-	CG	LEU	V	8
R	-	OH	TYR	A	76	L	-	CD1	LEU	V	8
R	-	OH	TYR	A	76	L	-	CD2	LEU	V	8
R	-	OH	TYR	A	76	L	-	HB2	LEU	V	8
R	-	OH	TYR	A	76	L	-	HG	LEU	V	8
R	-	OH	TYR	A	76	L	-	HD11	LEU	V	8
R	-	OH	TYR	A	76	L	-	HD12	LEU	V	8
R	-	OH	TYR	A	76	L	-	HD13	LEU	V	8
R	-	OH	TYR	A	76	L	-	HD21	LEU	V	8
R	-	OH	TYR	A	76	L	-	HD22	LEU	V	8
R	-	OH	TYR	A	76	L	-	HD23	LEU	V	8
R	-	CZ	TYR	A	76	L	-	CG	LEU	V	8
R	-	CZ	TYR	A	76	L	-	CD1	LEU	V	8
R	-	CZ	TYR	A	76	L	-	CD2	LEU	V	8
R	-	CZ	TYR	A	76	L	-	HD11	LEU	V	8
R	-	CZ	TYR	A	76	L	-	HD12	LEU	V	8
R	-	CZ	TYR	A	76	L	-	HD13	LEU	V	8
R	-	CZ	TYR	A	76	L	-	HD21	LEU	V	8
R	-	CZ	TYR	A	76	L	-	HD22	LEU	V	8
R	-	CZ	TYR	A	76	L	-	HD23	LEU	V	8
R	S	CE1	TYR	A	82	L	S	HD12	LEU	V	56
R	S	CE2	TYR	A	82	L	S	OE1	GLN	V	110
R	S	CE2	TYR	A	82	L	S	HE22	GLN	V	110
R	S	OH	TYR	A	82	L	S	CD1	LEU	V	56
R	S	OH	TYR	A	82	L	S	HD11	LEU	V	56
R	S	OH	TYR	A	82	L	S	HD12	LEU	V	56
R	S	OH	TYR	A	82	L	S	HD13	LEU	V	56
R	S	OH	TYR	A	82	L	S	CD	GLN	V	110
R	S	OH	TYR	A	82	L	S	OE1	GLN	V	110
R	S	OH	TYR	A	82	L	S	HB3	GLN	V	110
R	S	CZ	TYR	A	82	L	S	HD12	LEU	V	56
R	S	CZ	TYR	A	82	L	S	OE1	GLN	V	110
R	-	CG1	VAL	A	84	L	-	CD	GLU	V	59
R	-	CG1	VAL	A	84	L	-	OE1	GLU	V	59
R	-	CG1	VAL	A	84	L	-	HG3	GLU	V	59
R	-	CG1	VAL	A	84	L	S	HH21	ARG	V	108
R	-	CG2	VAL	A	84	L	-	HG3	GLU	V	59
R	-	CA	HIS	A	85	L	S	NH1	ARG	V	108
R	-	CA	HIS	A	85	L	S	CZ	ARG	V	108
R	-	CA	HIS	A	85	L	S	HD3	ARG	V	108
R	-	CA	HIS	A	85	L	S	HH11	ARG	V	108
R	-	CA	HIS	A	85	L	S	HH12	ARG	V	108
R	-	CA	HIS	A	85	L	S	HD22	LEU	V	119
R	-	CA	HIS	A	85	L	S	HD23	LEU	V	119
R	-	C	HIS	A	85	L	S	CD2	LEU	V	119
R	-	C	HIS	A	85	L	S	HD22	LEU	V	119
R	-	C	HIS	A	85	L	S	HD23	LEU	V	119
R	-	CB	HIS	A	85	L	S	NH1	ARG	V	108
R	-	CB	HIS	A	85	L	S	HH12	ARG	V	108
R	-	CB	HIS	A	85	L	S	HH22	ARG	V	108
R	-	O	HIS	A	85	L	S	CD2	LEU	V	119
R	-	O	HIS	A	85	L	S	HD21	LEU	V	119
R	-	O	HIS	A	85	L	S	HD22	LEU	V	119
R	-	O	HIS	A	85	L	S	HD23	LEU	V	119
R	-	CG	HIS	A	85	L	S	NH1	ARG	V	108
R	-	CG	HIS	A	85	L	S	NH2	ARG	V	108
R	-	CG	HIS	A	85	L	S	CZ	ARG	V	108
R	-	CG	HIS	A	85	L	S	HH12	ARG	V	108
R	-	CG	HIS	A	85	L	S	HH21	ARG	V	108
R	-	CG	HIS	A	85	L	S	HH22	ARG	V	108
R	-	CD2	HIS	A	85	L	S	NH1	ARG	V	108
R	-	CD2	HIS	A	85	L	S	NH2	ARG	V	108
R	-	CD2	HIS	A	85	L	S	CZ	ARG	V	108
R	-	CD2	HIS	A	85	L	S	HH11	ARG	V	108
R	-	CD2	HIS	A	85	L	S	HH12	ARG	V	108
R	-	CD2	HIS	A	85	L	S	HH21	ARG	V	108
R	-	CD2	HIS	A	85	L	S	HH22	ARG	V	108
R	-	ND1	HIS	A	85	L	S	NH2	ARG	V	108
R	-	ND1	HIS	A	85	L	S	HH22	ARG	V	108
R	-	CE1	HIS	A	85	L	S	NH2	ARG	V	108
R	-	CE1	HIS	A	85	L	S	HH21	ARG	V	108
R	-	CE1	HIS	A	85	L	S	HH22	ARG	V	108
R	-	NE2	HIS	A	85	L	S	NH1	ARG	V	108
R	-	NE2	HIS	A	85	L	S	NH2	ARG	V	108
R	-	NE2	HIS	A	85	L	S	CZ	ARG	V	108
R	-	NE2	HIS	A	85	L	S	HH12	ARG	V	108
R	-	NE2	HIS	A	85	L	S	HH21	ARG	V	108
R	-	NE2	HIS	A	85	L	S	HH22	ARG	V	108
R	-	N	GLY	A	86	L	S	HD23	LEU	V	119
R	-	CA	GLY	A	86	L	S	HD23	LEU	V	119
R	-	O	GLY	A	86	L	S	HG23	VAL	V	20
R	S	CB	TYR	A	90	L	-	O	CYS	V	13
R	S	CB	TYR	A	90	L	-	H	GLY	V	15
R	S	CG	TYR	A	90	L	-	H	GLY	V	15
R	S	CD2	TYR	A	90	L	-	H	GLY	V	15
R	S	CD2	TYR	A	90	L	-	HA3	GLY	V	15
R	S	CE2	TYR	A	90	L	-	O	GLY	V	15
R	S	CE2	TYR	A	90	L	-	HA2	GLY	V	17
R	S	OH	TYR	A	90	L	-	O	PRO	V	16
R	S	OH	TYR	A	90	L	-	HA2	GLY	V	17
R	S	OH	TYR	A	90	L	-	H	ASN	V	18
R	-	C	GLY	A	91	L	-	HB2	CYS	V	13
R	-	O	GLY	A	91	L	-	CB	CYS	V	13
R	-	O	GLY	A	91	L	-	HB2	CYS	V	13
R	-	CA	PRO	A	92	L	-	O	VAL	V	11
R	-	C	TYR	A	94	L	-	HG	CYS	V	13
R	-	CB	TYR	A	94	L	-	HB2	CYS	V	13
R	-	CB	TYR	A	94	L	-	HB3	CYS	V	13
R	-	O	TYR	A	94	L	-	CB	CYS	V	13
R	-	O	TYR	A	94	L	-	SG	CYS	V	13
R	-	O	TYR	A	94	L	-	HB2	CYS	V	13
R	-	O	TYR	A	94	L	-	HB3	CYS	V	13
R	-	O	TYR	A	94	L	-	HG	CYS	V	13
R	-	CG	TYR	A	94	L	-	HB3	CYS	V	13
R	-	CD1	TYR	A	94	L	-	HB3	CYS	V	13
R	-	CD1	TYR	A	94	L	-	N	GLY	V	15
R	-	CD1	TYR	A	94	L	-	CA	GLY	V	15
R	-	CD1	TYR	A	94	L	-	H	GLY	V	15
R	-	CD1	TYR	A	94	L	-	HA3	GLY	V	15
R	-	CE1	TYR	A	94	L	-	N	GLY	V	15
R	-	CE1	TYR	A	94	L	-	CA	GLY	V	15
R	-	CE1	TYR	A	94	L	-	H	GLY	V	15
R	-	CE1	TYR	A	94	L	-	HA2	GLY	V	15
R	-	CE1	TYR	A	94	L	-	HA3	GLY	V	15
R	-	CE1	TYR	A	94	L	-	HD3	PRO	V	16
R	-	OH	TYR	A	94	L	-	HA3	GLY	V	15
R	-	OH	TYR	A	94	L	-	HD3	PRO	V	16
R	-	CZ	TYR	A	94	L	-	HA3	GLY	V	15
R	S	CG2	THR	A	99	L	S	HZ	PHE	V	52
R	-	CB	TYR	A	101	L	S	HE2	PHE	V	64
R	-	CG	TYR	A	101	L	S	HE2	PHE	V	64
R	-	CD1	TYR	A	101	L	S	CD2	PHE	V	52
R	-	CD1	TYR	A	101	L	S	CE1	PHE	V	52
R	-	CD1	TYR	A	101	L	S	CE2	PHE	V	52
R	-	CD1	TYR	A	101	L	S	CZ	PHE	V	52
R	-	CD1	TYR	A	101	L	S	HE2	PHE	V	52
R	-	CD1	TYR	A	101	L	S	HZ	PHE	V	52
R	-	CD1	TYR	A	101	L	S	CE2	PHE	V	64
R	-	CD1	TYR	A	101	L	S	HE2	PHE	V	64
R	-	CD1	TYR	A	101	L	S	HZ	PHE	V	64
R	-	CE1	TYR	A	101	L	S	CG	PHE	V	52
R	-	CE1	TYR	A	101	L	S	CD1	PHE	V	52
R	-	CE1	TYR	A	101	L	S	CD2	PHE	V	52
R	-	CE1	TYR	A	101	L	S	CE1	PHE	V	52
R	-	CE1	TYR	A	101	L	S	CE2	PHE	V	52
R	-	CE1	TYR	A	101	L	S	CZ	PHE	V	52
R	-	CE1	TYR	A	101	L	S	HE1	PHE	V	52
R	-	CE1	TYR	A	101	L	S	HE2	PHE	V	52
R	-	CE1	TYR	A	101	L	S	HZ	PHE	V	52
R	-	CE1	TYR	A	101	L	S	HE2	PHE	V	64
R	-	CE1	TYR	A	101	L	S	HZ	PHE	V	64
R	-	OH	TYR	A	101	L	S	CE1	PHE	V	52
R	-	OH	TYR	A	101	L	S	HE1	PHE	V	52
R	-	CZ	TYR	A	101	L	S	CE1	PHE	V	52
R	-	CZ	TYR	A	101	L	S	CZ	PHE	V	52
R	-	CZ	TYR	A	101	L	S	HE1	PHE	V	52
R	-	CZ	TYR	A	101	L	S	HZ	PHE	V	52
R	-	CZ	TYR	A	101	L	S	HZ	PHE	V	64
R	-	N	SER	A	102	L	S	HG21	THR	V	54
R	-	CA	SER	A	102	L	S	CG2	THR	V	54
R	-	CA	SER	A	102	L	S	HG21	THR	V	54
R	-	CA	SER	A	102	L	S	HD12	LEU	V	56
R	-	CA	SER	A	102	L	S	HD23	LEU	V	56
R	-	C	SER	A	102	L	S	HG21	THR	V	54
R	-	C	SER	A	102	L	S	HD23	LEU	V	56
R	-	C	SER	A	102	L	S	HB2	SER	V	61
R	-	CB	SER	A	102	L	S	CB	THR	V	54
R	-	CB	SER	A	102	L	S	CG2	THR	V	54
R	-	CB	SER	A	102	L	S	OG1	THR	V	54
R	-	CB	SER	A	102	L	S	HB	THR	V	54
R	-	CB	SER	A	102	L	S	HG21	THR	V	54
R	-	CB	SER	A	102	L	S	HG22	THR	V	54
R	-	CB	SER	A	102	L	S	HG23	THR	V	54
R	-	CB	SER	A	102	L	S	CD1	LEU	V	56
R	-	CB	SER	A	102	L	S	CD2	LEU	V	56
R	-	CB	SER	A	102	L	S	HG	LEU	V	56
R	-	CB	SER	A	102	L	S	HD12	LEU	V	56
R	-	CB	SER	A	102	L	S	HD23	LEU	V	56
R	-	O	SER	A	102	L	S	HG21	THR	V	54
R	-	O	SER	A	102	L	S	CD2	LEU	V	56
R	-	O	SER	A	102	L	S	HD21	LEU	V	56
R	-	O	SER	A	102	L	S	HD22	LEU	V	56
R	-	O	SER	A	102	L	S	HD23	LEU	V	56
R	-	O	SER	A	102	L	S	HB2	SER	V	61
R	-	OG	SER	A	102	L	S	CA	THR	V	54
R	-	OG	SER	A	102	L	S	CB	THR	V	54
R	-	OG	SER	A	102	L	S	CG2	THR	V	54
R	-	OG	SER	A	102	L	S	OG1	THR	V	54
R	-	OG	SER	A	102	L	S	HB	THR	V	54
R	-	OG	SER	A	102	L	S	HG1	THR	V	54
R	-	OG	SER	A	102	L	S	HG21	THR	V	54
R	-	OG	SER	A	102	L	S	HG22	THR	V	54
R	-	OG	SER	A	102	L	S	HG23	THR	V	54
R	-	OG	SER	A	102	L	S	HG	LEU	V	56
R	-	OG	SER	A	102	L	S	HD12	LEU	V	56
R	-	OG	SER	A	102	L	S	HD23	LEU	V	56
R	-	N	ASN	A	103	L	S	HG21	THR	V	54
R	-	N	ASN	A	103	L	S	HD23	LEU	V	56
R	-	N	ASN	A	103	L	S	HB2	SER	V	61
R	-	CA	ASN	A	103	L	S	CB	SER	V	61
R	-	CA	ASN	A	103	L	S	OG	SER	V	61
R	-	CA	ASN	A	103	L	S	HB2	SER	V	61
R	-	C	ASN	A	103	L	S	HB2	SER	V	61
R	-	CB	ASN	A	103	L	S	CB	SER	V	61
R	-	CB	ASN	A	103	L	S	OG	SER	V	61
R	-	CB	ASN	A	103	L	S	HB2	SER	V	61
R	-	CB	ASN	A	103	L	S	HB3	SER	V	61
R	-	CB	ASN	A	103	L	S	HG	SER	V	61
R	-	CG	ASN	A	103	L	S	HB2	PHE	V	64
R	-	ND2	ASN	A	103	L	S	HB2	PHE	V	64
R	-	NH1	ARG	A	126	L	-	HB2	ASN	V	58
R	-	NH1	ARG	A	126	L	-	HG2	GLU	V	59
R	-	NH2	ARG	A	126	L	-	CG	GLU	V	59
R	-	NH2	ARG	A	126	L	-	HG2	GLU	V	59
R	-	NH2	ARG	A	126	L	-	HG3	GLU	V	59
R	-	CZ	ARG	A	126	L	-	HG2	GLU	V	59

- 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