IID

P51815_P00492.1 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	ILE	A	100	L	H	THR	V	211
R	H	ILE	A	100	L	-	GLU	V	30
R	H	LYS	A	103	L	-	SER	V	209
R	H	LYS	A	103	L	H	GLU	V	210
R	H	LYS	A	103	L	H	THR	V	211
R	H	LYS	A	103	L	S	GLU	V	33
R	H	GLU	A	104	L	-	ASP	V	18
R	H	GLN	A	106	L	H	GLU	V	210
R	H	GLN	A	106	L	H	THR	V	211
R	-	ALA	A	164	L	-	GLU	V	30
R	-	GLU	A	165	L	H	ASN	V	26
R	-	GLN	A	167	L	H	LYS	V	215
R	-	GLN	A	167	L	H	ASN	V	26
R	-	GLN	A	167	L	H	HIS	V	27
R	-	GLN	A	167	L	H	TYR	V	28
R	-	GLN	A	167	L	-	ALA	V	29
R	-	GLN	A	167	L	-	GLU	V	30
R	-	PRO	A	168	L	H	HIS	V	27
R	-	MET	A	19	L	S	GLY	V	118
R	-	MET	A	19	L	-	GLY	V	119
R	-	MET	A	19	L	S	ASP	V	98
R	-	MET	A	19	L	S	PHE	V	99
R	-	TRP	A	20	L	S	ILE	V	117
R	-	TRP	A	20	L	S	GLY	V	118
R	-	GLU	A	21	L	S	GLY	V	118
R	-	GLU	A	21	L	-	GLY	V	119
R	-	THR	A	22	L	S	VAL	V	116
R	-	THR	A	22	L	S	ILE	V	117
R	-	THR	A	22	L	S	GLY	V	118
R	-	THR	A	22	L	-	GLY	V	119
R	-	THR	A	22	L	-	ASP	V	120
R	-	THR	A	22	L	-	ASP	V	121
R	-	SER	A	23	L	S	VAL	V	116
R	-	SER	A	23	L	H	LEU	V	122
R	-	SER	A	23	L	H	LEU	V	149
R	-	GLY	A	24	L	S	ILE	V	114
R	-	GLY	A	24	L	S	LYS	V	115
R	-	GLY	A	24	L	S	VAL	V	116
R	-	GLY	A	24	L	H	LEU	V	149
R	-	SER	A	25	L	H	LEU	V	149
R	-	SER	A	25	L	H	GLN	V	152
R	-	VAL	A	26	L	-	ASP	V	113
R	-	VAL	A	26	L	S	ILE	V	114
R	-	VAL	A	26	L	H	THR	V	145
R	-	VAL	A	26	L	H	SER	V	148
R	-	VAL	A	26	L	H	LEU	V	149
R	-	VAL	A	26	L	H	GLN	V	152
R	-	LYS	A	27	L	-	ASP	V	113
R	-	LYS	A	27	L	H	THR	V	145
R	-	GLU	A	28	L	-	ASP	V	113
R	-	ASN	A	29	L	-	THR	V	111
R	-	ASN	A	29	L	-	GLY	V	112
R	-	SER	A	30	L	-	THR	V	111
R	-	GLN	A	32	L	H	LYS	V	141
R	-	GLN	A	32	L	-	VAL	V	172
R	-	SER	A	33	L	-	SER	V	110
R	-	TYR	A	36	L	-	ARG	V	170
R	H	PHE	A	52	L	-	LYS	V	217
R	H	TRP	A	53	L	H	LYS	V	213
R	H	TRP	A	53	L	H	ALA	V	214
R	H	TRP	A	53	L	-	LYS	V	217
R	-	PHE	A	55	L	-	LYS	V	217
R	-	ARG	A	56	L	-	TYR	V	195
R	-	ARG	A	56	L	H	LYS	V	213
R	-	ARG	A	56	L	-	LYS	V	217
R	H	TYR	A	57	L	-	CYS	V	106
R	-	THR	A	61	L	-	ASP	V	108
R	-	THR	A	61	L	-	GLN	V	109
R	-	GLY	A	62	L	-	ASP	V	108
R	H	PRO	A	63	L	-	ASP	V	108
R	H	LEU	A	70	L	-	LYS	V	217
R	H	SER	A	99	L	H	THR	V	211

- 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

P51815_P00492.1 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	-	O	MET	A	19	L	S	HA3	GLY	V	118
R	-	CE	MET	A	19	L	S	OD1	ASP	V	98
R	-	CE	MET	A	19	L	S	HB2	PHE	V	99
R	-	CE	MET	A	19	L	S	HD2	PHE	V	99
R	-	CE	MET	A	19	L	-	H	GLY	V	119
R	-	N	TRP	A	20	L	S	HA2	GLY	V	118
R	-	CA	TRP	A	20	L	S	HG23	ILE	V	117
R	-	CA	TRP	A	20	L	S	H	GLY	V	118
R	-	CA	TRP	A	20	L	S	HA2	GLY	V	118
R	-	C	TRP	A	20	L	S	H	GLY	V	118
R	-	C	TRP	A	20	L	S	HA2	GLY	V	118
R	-	CB	TRP	A	20	L	S	HG22	ILE	V	117
R	-	CB	TRP	A	20	L	S	HG23	ILE	V	117
R	-	N	GLU	A	21	L	S	CA	GLY	V	118
R	-	N	GLU	A	21	L	S	H	GLY	V	118
R	-	N	GLU	A	21	L	S	HA2	GLY	V	118
R	-	CA	GLU	A	21	L	S	H	GLY	V	118
R	-	CA	GLU	A	21	L	S	HA2	GLY	V	118
R	-	C	GLU	A	21	L	S	CA	GLY	V	118
R	-	C	GLU	A	21	L	S	H	GLY	V	118
R	-	C	GLU	A	21	L	S	HA2	GLY	V	118
R	-	C	GLU	A	21	L	-	O	GLY	V	119
R	-	O	GLU	A	21	L	S	HA2	GLY	V	118
R	-	O	GLU	A	21	L	-	O	GLY	V	119
R	-	N	THR	A	22	L	S	N	GLY	V	118
R	-	N	THR	A	22	L	S	CA	GLY	V	118
R	-	N	THR	A	22	L	S	C	GLY	V	118
R	-	N	THR	A	22	L	S	O	GLY	V	118
R	-	N	THR	A	22	L	S	H	GLY	V	118
R	-	N	THR	A	22	L	S	HA2	GLY	V	118
R	-	CA	THR	A	22	L	S	O	GLY	V	118
R	-	C	THR	A	22	L	S	O	VAL	V	116
R	-	C	THR	A	22	L	S	O	GLY	V	118
R	-	CB	THR	A	22	L	S	O	GLY	V	118
R	-	CB	THR	A	22	L	-	C	GLY	V	119
R	-	CB	THR	A	22	L	-	O	GLY	V	119
R	-	CB	THR	A	22	L	-	C	ASP	V	120
R	-	CB	THR	A	22	L	-	O	ASP	V	120
R	-	CB	THR	A	22	L	-	HA	ASP	V	121
R	-	O	THR	A	22	L	S	C	VAL	V	116
R	-	O	THR	A	22	L	S	O	VAL	V	116
R	-	O	THR	A	22	L	S	CG1	VAL	V	116
R	-	O	THR	A	22	L	S	HB	VAL	V	116
R	-	O	THR	A	22	L	S	HG11	VAL	V	116
R	-	O	THR	A	22	L	S	HA	ILE	V	117
R	-	O	THR	A	22	L	S	N	GLY	V	118
R	-	O	THR	A	22	L	S	C	GLY	V	118
R	-	O	THR	A	22	L	S	O	GLY	V	118
R	-	O	THR	A	22	L	S	H	GLY	V	118
R	-	CG2	THR	A	22	L	-	C	GLY	V	119
R	-	CG2	THR	A	22	L	-	O	GLY	V	119
R	-	CG2	THR	A	22	L	-	C	ASP	V	120
R	-	CG2	THR	A	22	L	-	O	ASP	V	120
R	-	CG2	THR	A	22	L	-	HA	ASP	V	120
R	-	CG2	THR	A	22	L	-	N	ASP	V	121
R	-	CG2	THR	A	22	L	-	CA	ASP	V	121
R	-	CG2	THR	A	22	L	-	H	ASP	V	121
R	-	CG2	THR	A	22	L	-	HA	ASP	V	121
R	-	OG1	THR	A	22	L	S	C	GLY	V	118
R	-	OG1	THR	A	22	L	S	O	GLY	V	118
R	-	OG1	THR	A	22	L	-	N	GLY	V	119
R	-	OG1	THR	A	22	L	-	CA	GLY	V	119
R	-	OG1	THR	A	22	L	-	C	GLY	V	119
R	-	OG1	THR	A	22	L	-	O	GLY	V	119
R	-	OG1	THR	A	22	L	-	HA2	GLY	V	119
R	-	OG1	THR	A	22	L	-	N	ASP	V	120
R	-	OG1	THR	A	22	L	-	C	ASP	V	120
R	-	OG1	THR	A	22	L	-	O	ASP	V	120
R	-	N	SER	A	23	L	S	O	VAL	V	116
R	-	C	SER	A	23	L	S	O	VAL	V	116
R	-	C	SER	A	23	L	S	HB	VAL	V	116
R	-	C	SER	A	23	L	H	HD21	LEU	V	149
R	-	O	SER	A	23	L	S	HB	VAL	V	116
R	-	O	SER	A	23	L	H	CD1	LEU	V	122
R	-	O	SER	A	23	L	H	HG	LEU	V	122
R	-	O	SER	A	23	L	H	HD11	LEU	V	122
R	-	O	SER	A	23	L	H	HD13	LEU	V	122
R	-	O	SER	A	23	L	H	HD21	LEU	V	149
R	-	N	GLY	A	24	L	S	N	VAL	V	116
R	-	N	GLY	A	24	L	S	CB	VAL	V	116
R	-	N	GLY	A	24	L	S	O	VAL	V	116
R	-	N	GLY	A	24	L	S	H	VAL	V	116
R	-	N	GLY	A	24	L	S	HB	VAL	V	116
R	-	N	GLY	A	24	L	S	HG23	VAL	V	116
R	-	N	GLY	A	24	L	H	HD21	LEU	V	149
R	-	CA	GLY	A	24	L	S	N	VAL	V	116
R	-	CA	GLY	A	24	L	S	CA	VAL	V	116
R	-	CA	GLY	A	24	L	S	CB	VAL	V	116
R	-	CA	GLY	A	24	L	S	CG2	VAL	V	116
R	-	CA	GLY	A	24	L	S	H	VAL	V	116
R	-	CA	GLY	A	24	L	S	HB	VAL	V	116
R	-	CA	GLY	A	24	L	S	HG22	VAL	V	116
R	-	CA	GLY	A	24	L	S	HG23	VAL	V	116
R	-	CA	GLY	A	24	L	H	CD2	LEU	V	149
R	-	CA	GLY	A	24	L	H	HD12	LEU	V	149
R	-	CA	GLY	A	24	L	H	HD13	LEU	V	149
R	-	CA	GLY	A	24	L	H	HD21	LEU	V	149
R	-	CA	GLY	A	24	L	H	HD22	LEU	V	149
R	-	CA	GLY	A	24	L	H	HD23	LEU	V	149
R	-	C	GLY	A	24	L	S	HA	LYS	V	115
R	-	C	GLY	A	24	L	S	HG3	LYS	V	115
R	-	C	GLY	A	24	L	S	N	VAL	V	116
R	-	C	GLY	A	24	L	S	H	VAL	V	116
R	-	C	GLY	A	24	L	S	HB	VAL	V	116
R	-	C	GLY	A	24	L	S	HG23	VAL	V	116
R	-	C	GLY	A	24	L	H	CD2	LEU	V	149
R	-	C	GLY	A	24	L	H	HD12	LEU	V	149
R	-	C	GLY	A	24	L	H	HD13	LEU	V	149
R	-	C	GLY	A	24	L	H	HD21	LEU	V	149
R	-	C	GLY	A	24	L	H	HD22	LEU	V	149
R	-	O	GLY	A	24	L	S	O	ILE	V	114
R	-	O	GLY	A	24	L	S	CA	LYS	V	115
R	-	O	GLY	A	24	L	S	HA	LYS	V	115
R	-	O	GLY	A	24	L	S	HG3	LYS	V	115
R	-	O	GLY	A	24	L	S	N	VAL	V	116
R	-	O	GLY	A	24	L	S	H	VAL	V	116
R	-	O	GLY	A	24	L	S	HB	VAL	V	116
R	-	O	GLY	A	24	L	S	HG23	VAL	V	116
R	-	O	GLY	A	24	L	H	HD22	LEU	V	149
R	-	N	SER	A	25	L	H	CD1	LEU	V	149
R	-	N	SER	A	25	L	H	CD2	LEU	V	149
R	-	N	SER	A	25	L	H	HD12	LEU	V	149
R	-	N	SER	A	25	L	H	HD13	LEU	V	149
R	-	N	SER	A	25	L	H	HD21	LEU	V	149
R	-	N	SER	A	25	L	H	HD22	LEU	V	149
R	-	CA	SER	A	25	L	H	CD1	LEU	V	149
R	-	CA	SER	A	25	L	H	HD12	LEU	V	149
R	-	CA	SER	A	25	L	H	HD13	LEU	V	149
R	-	C	SER	A	25	L	H	CD1	LEU	V	149
R	-	C	SER	A	25	L	H	HD11	LEU	V	149
R	-	C	SER	A	25	L	H	HD12	LEU	V	149
R	-	C	SER	A	25	L	H	HD13	LEU	V	149
R	-	C	SER	A	25	L	H	HD22	LEU	V	149
R	-	CB	SER	A	25	L	H	HD13	LEU	V	149
R	-	O	SER	A	25	L	H	CG	LEU	V	149
R	-	O	SER	A	25	L	H	CD1	LEU	V	149
R	-	O	SER	A	25	L	H	HA	LEU	V	149
R	-	O	SER	A	25	L	H	HB2	LEU	V	149
R	-	O	SER	A	25	L	H	HD11	LEU	V	149
R	-	O	SER	A	25	L	H	HD12	LEU	V	149
R	-	O	SER	A	25	L	H	HD13	LEU	V	149
R	-	O	SER	A	25	L	H	HD22	LEU	V	149
R	-	O	SER	A	25	L	H	HE22	GLN	V	152
R	-	N	VAL	A	26	L	H	HD13	LEU	V	149
R	-	CA	VAL	A	26	L	H	HG22	THR	V	145
R	-	CA	VAL	A	26	L	H	HG23	THR	V	145
R	-	CA	VAL	A	26	L	H	HB2	LEU	V	149
R	-	CA	VAL	A	26	L	H	HD13	LEU	V	149
R	-	C	VAL	A	26	L	H	HG23	THR	V	145
R	-	CB	VAL	A	26	L	H	O	THR	V	145
R	-	CB	VAL	A	26	L	H	CG2	THR	V	145
R	-	CB	VAL	A	26	L	H	HG21	THR	V	145
R	-	CB	VAL	A	26	L	H	HG22	THR	V	145
R	-	CB	VAL	A	26	L	H	HG23	THR	V	145
R	-	CB	VAL	A	26	L	H	OG	SER	V	148
R	-	CB	VAL	A	26	L	H	HG	SER	V	148
R	-	CB	VAL	A	26	L	H	HB2	LEU	V	149
R	-	CB	VAL	A	26	L	H	HD13	LEU	V	149
R	-	O	VAL	A	26	L	-	OD1	ASP	V	113
R	-	O	VAL	A	26	L	-	HA	ASP	V	113
R	-	O	VAL	A	26	L	-	HB3	ASP	V	113
R	-	O	VAL	A	26	L	S	H	ILE	V	114
R	-	O	VAL	A	26	L	H	CG2	THR	V	145
R	-	O	VAL	A	26	L	H	HG21	THR	V	145
R	-	O	VAL	A	26	L	H	HG22	THR	V	145
R	-	O	VAL	A	26	L	H	HG23	THR	V	145
R	-	CG1	VAL	A	26	L	H	CA	THR	V	145
R	-	CG1	VAL	A	26	L	H	C	THR	V	145
R	-	CG1	VAL	A	26	L	H	CB	THR	V	145
R	-	CG1	VAL	A	26	L	H	O	THR	V	145
R	-	CG1	VAL	A	26	L	H	CG2	THR	V	145
R	-	CG1	VAL	A	26	L	H	HA	THR	V	145
R	-	CG1	VAL	A	26	L	H	HG21	THR	V	145
R	-	CG1	VAL	A	26	L	H	HG22	THR	V	145
R	-	CG1	VAL	A	26	L	H	HG23	THR	V	145
R	-	CG1	VAL	A	26	L	H	CB	SER	V	148
R	-	CG1	VAL	A	26	L	H	OG	SER	V	148
R	-	CG1	VAL	A	26	L	H	HG	SER	V	148
R	-	CG1	VAL	A	26	L	H	HB2	LEU	V	149
R	-	CG2	VAL	A	26	L	H	O	THR	V	145
R	-	CG2	VAL	A	26	L	H	HG22	THR	V	145
R	-	CG2	VAL	A	26	L	H	HG23	THR	V	145
R	-	CG2	VAL	A	26	L	H	OG	SER	V	148
R	-	CG2	VAL	A	26	L	H	HG	SER	V	148
R	-	CG2	VAL	A	26	L	H	N	LEU	V	149
R	-	CG2	VAL	A	26	L	H	CA	LEU	V	149
R	-	CG2	VAL	A	26	L	H	CB	LEU	V	149
R	-	CG2	VAL	A	26	L	H	CG	LEU	V	149
R	-	CG2	VAL	A	26	L	H	CD1	LEU	V	149
R	-	CG2	VAL	A	26	L	H	CD2	LEU	V	149
R	-	CG2	VAL	A	26	L	H	H	LEU	V	149
R	-	CG2	VAL	A	26	L	H	HA	LEU	V	149
R	-	CG2	VAL	A	26	L	H	HB2	LEU	V	149
R	-	CG2	VAL	A	26	L	H	HB3	LEU	V	149
R	-	CG2	VAL	A	26	L	H	HD11	LEU	V	149
R	-	CG2	VAL	A	26	L	H	HD13	LEU	V	149
R	-	CG2	VAL	A	26	L	H	HD22	LEU	V	149
R	-	CG2	VAL	A	26	L	H	HE22	GLN	V	152
R	-	CA	LYS	A	27	L	-	OD1	ASP	V	113
R	-	C	LYS	A	27	L	-	OD1	ASP	V	113
R	-	O	LYS	A	27	L	-	OD1	ASP	V	113
R	-	O	LYS	A	27	L	-	HA	ASP	V	113
R	-	O	LYS	A	27	L	H	HG23	THR	V	145
R	-	N	GLU	A	28	L	-	CG	ASP	V	113
R	-	N	GLU	A	28	L	-	OD1	ASP	V	113
R	-	N	GLU	A	28	L	-	OD2	ASP	V	113
R	-	CA	GLU	A	28	L	-	CG	ASP	V	113
R	-	CA	GLU	A	28	L	-	OD1	ASP	V	113
R	-	CB	GLU	A	28	L	-	OD1	ASP	V	113
R	-	CG	GLU	A	28	L	-	OD1	ASP	V	113
R	-	N	ASN	A	29	L	-	O	THR	V	111
R	-	CA	ASN	A	29	L	-	O	THR	V	111
R	-	C	ASN	A	29	L	-	O	THR	V	111
R	-	O	ASN	A	29	L	-	O	THR	V	111
R	-	O	ASN	A	29	L	-	HA3	GLY	V	112
R	-	N	SER	A	30	L	-	O	THR	V	111
R	-	CA	GLN	A	32	L	H	HZ1	LYS	V	141
R	-	C	GLN	A	32	L	H	HZ1	LYS	V	141
R	-	CB	GLN	A	32	L	H	CE	LYS	V	141
R	-	CB	GLN	A	32	L	H	NZ	LYS	V	141
R	-	CB	GLN	A	32	L	H	HE2	LYS	V	141
R	-	CB	GLN	A	32	L	H	HZ1	LYS	V	141
R	-	CB	GLN	A	32	L	H	HZ2	LYS	V	141
R	-	O	GLN	A	32	L	H	HZ1	LYS	V	141
R	-	CG	GLN	A	32	L	H	HE2	LYS	V	141
R	-	CG	GLN	A	32	L	H	HZ1	LYS	V	141
R	-	CD	GLN	A	32	L	H	CE	LYS	V	141
R	-	CD	GLN	A	32	L	H	HE2	LYS	V	141
R	-	CD	GLN	A	32	L	H	HZ1	LYS	V	141
R	-	CD	GLN	A	32	L	-	HG11	VAL	V	172
R	-	NE2	GLN	A	32	L	-	HG11	VAL	V	172
R	-	OE1	GLN	A	32	L	H	CE	LYS	V	141
R	-	OE1	GLN	A	32	L	H	NZ	LYS	V	141
R	-	OE1	GLN	A	32	L	H	HG2	LYS	V	141
R	-	OE1	GLN	A	32	L	H	HE2	LYS	V	141
R	-	OE1	GLN	A	32	L	H	HE3	LYS	V	141
R	-	OE1	GLN	A	32	L	H	HZ1	LYS	V	141
R	-	OE1	GLN	A	32	L	H	HZ2	LYS	V	141
R	-	OE1	GLN	A	32	L	-	CG1	VAL	V	172
R	-	OE1	GLN	A	32	L	-	HG11	VAL	V	172
R	-	OE1	GLN	A	32	L	-	HG13	VAL	V	172
R	-	CB	SER	A	33	L	-	OG	SER	V	110
R	-	CB	SER	A	33	L	-	HG	SER	V	110
R	-	OG	SER	A	33	L	-	HG	SER	V	110
R	-	CE1	TYR	A	36	L	-	HD3	ARG	V	170
R	-	CE2	TYR	A	36	L	-	HG3	ARG	V	170
R	-	CE2	TYR	A	36	L	-	HD3	ARG	V	170
R	-	OH	TYR	A	36	L	-	CG	ARG	V	170
R	-	OH	TYR	A	36	L	-	CD	ARG	V	170
R	-	OH	TYR	A	36	L	-	HG2	ARG	V	170
R	-	OH	TYR	A	36	L	-	HG3	ARG	V	170
R	-	OH	TYR	A	36	L	-	HD3	ARG	V	170
R	-	CZ	TYR	A	36	L	-	HG3	ARG	V	170
R	-	CZ	TYR	A	36	L	-	HD3	ARG	V	170
R	H	C	PHE	A	52	L	-	NZ	LYS	V	217
R	H	C	PHE	A	52	L	-	HZ1	LYS	V	217
R	H	C	PHE	A	52	L	-	HZ2	LYS	V	217
R	H	O	PHE	A	52	L	-	CE	LYS	V	217
R	H	O	PHE	A	52	L	-	NZ	LYS	V	217
R	H	O	PHE	A	52	L	-	HZ1	LYS	V	217
R	H	O	PHE	A	52	L	-	HZ2	LYS	V	217
R	H	O	PHE	A	52	L	-	HZ3	LYS	V	217
R	H	N	TRP	A	53	L	-	HZ2	LYS	V	217
R	H	CA	TRP	A	53	L	-	NZ	LYS	V	217
R	H	CA	TRP	A	53	L	-	HD2	LYS	V	217
R	H	CA	TRP	A	53	L	-	HZ2	LYS	V	217
R	H	C	TRP	A	53	L	-	HD2	LYS	V	217
R	H	C	TRP	A	53	L	-	HZ2	LYS	V	217
R	H	CB	TRP	A	53	L	H	HB2	ALA	V	214
R	H	O	TRP	A	53	L	H	HB3	LYS	V	213
R	H	O	TRP	A	53	L	-	CD	LYS	V	217
R	H	O	TRP	A	53	L	-	HD2	LYS	V	217
R	H	O	TRP	A	53	L	-	HE3	LYS	V	217
R	H	O	TRP	A	53	L	-	HZ2	LYS	V	217
R	H	CD2	TRP	A	53	L	H	HB1	ALA	V	214
R	H	CE3	TRP	A	53	L	H	HA	ALA	V	214
R	H	CE3	TRP	A	53	L	H	HB1	ALA	V	214
R	H	CE3	TRP	A	53	L	H	HB2	ALA	V	214
R	H	CE3	TRP	A	53	L	-	HD2	LYS	V	217
R	H	CE3	TRP	A	53	L	-	HD3	LYS	V	217
R	H	CZ3	TRP	A	53	L	H	HB1	ALA	V	214
R	-	C	PHE	A	55	L	-	HE3	LYS	V	217
R	-	CB	PHE	A	55	L	-	HZ1	LYS	V	217
R	-	O	PHE	A	55	L	-	CE	LYS	V	217
R	-	O	PHE	A	55	L	-	HE2	LYS	V	217
R	-	O	PHE	A	55	L	-	HE3	LYS	V	217
R	-	O	PHE	A	55	L	-	HZ1	LYS	V	217
R	-	CD	ARG	A	56	L	-	HE2	TYR	V	195
R	-	NE	ARG	A	56	L	-	CE2	TYR	V	195
R	-	NE	ARG	A	56	L	-	OH	TYR	V	195
R	-	NE	ARG	A	56	L	-	CZ	TYR	V	195
R	-	NE	ARG	A	56	L	-	HE2	TYR	V	195
R	-	NH1	ARG	A	56	L	-	CE2	TYR	V	195
R	-	NH1	ARG	A	56	L	-	OH	TYR	V	195
R	-	NH1	ARG	A	56	L	-	CZ	TYR	V	195
R	-	NH1	ARG	A	56	L	-	HE2	TYR	V	195
R	-	NH1	ARG	A	56	L	-	HH	TYR	V	195
R	-	NH1	ARG	A	56	L	-	CG	LYS	V	217
R	-	NH1	ARG	A	56	L	-	HG3	LYS	V	217
R	-	NH1	ARG	A	56	L	-	HE3	LYS	V	217
R	-	NH2	ARG	A	56	L	-	CD2	TYR	V	195
R	-	NH2	ARG	A	56	L	-	CE1	TYR	V	195
R	-	NH2	ARG	A	56	L	-	CE2	TYR	V	195
R	-	NH2	ARG	A	56	L	-	OH	TYR	V	195
R	-	NH2	ARG	A	56	L	-	CZ	TYR	V	195
R	-	NH2	ARG	A	56	L	-	HD2	TYR	V	195
R	-	NH2	ARG	A	56	L	-	HE2	TYR	V	195
R	-	NH2	ARG	A	56	L	-	HH	TYR	V	195
R	-	NH2	ARG	A	56	L	H	CG	LYS	V	213
R	-	NH2	ARG	A	56	L	H	HA	LYS	V	213
R	-	NH2	ARG	A	56	L	H	HB3	LYS	V	213
R	-	NH2	ARG	A	56	L	H	HG2	LYS	V	213
R	-	NH2	ARG	A	56	L	H	HD3	LYS	V	213
R	-	CZ	ARG	A	56	L	-	CE2	TYR	V	195
R	-	CZ	ARG	A	56	L	-	OH	TYR	V	195
R	-	CZ	ARG	A	56	L	-	CZ	TYR	V	195
R	-	CZ	ARG	A	56	L	-	HE2	TYR	V	195
R	-	CZ	ARG	A	56	L	-	HH	TYR	V	195
R	H	CD1	TYR	A	57	L	-	HG	CYS	V	106
R	H	CE1	TYR	A	57	L	-	HB3	CYS	V	106
R	H	CE1	TYR	A	57	L	-	HG	CYS	V	106
R	H	OH	TYR	A	57	L	-	HB3	CYS	V	106
R	-	C	THR	A	61	L	-	O	ASP	V	108
R	-	O	THR	A	61	L	-	CA	ASP	V	108
R	-	O	THR	A	61	L	-	C	ASP	V	108
R	-	O	THR	A	61	L	-	O	ASP	V	108
R	-	O	THR	A	61	L	-	HA	ASP	V	108
R	-	O	THR	A	61	L	-	HB3	ASP	V	108
R	-	O	THR	A	61	L	-	N	GLN	V	109
R	-	O	THR	A	61	L	-	HA	GLN	V	109
R	-	CA	GLY	A	62	L	-	HA	ASP	V	108
R	H	CD	PRO	A	63	L	-	OD1	ASP	V	108
R	H	CD2	LEU	A	70	L	-	HZ1	LYS	V	217
R	H	CA	SER	A	99	L	H	CB	THR	V	211
R	H	CA	SER	A	99	L	H	CG2	THR	V	211
R	H	CA	SER	A	99	L	H	OG1	THR	V	211
R	H	CA	SER	A	99	L	H	HA	THR	V	211
R	H	CA	SER	A	99	L	H	HG1	THR	V	211
R	H	CA	SER	A	99	L	H	HG21	THR	V	211
R	H	CA	SER	A	99	L	H	HG22	THR	V	211
R	H	C	SER	A	99	L	H	CB	THR	V	211
R	H	C	SER	A	99	L	H	CG2	THR	V	211
R	H	C	SER	A	99	L	H	OG1	THR	V	211
R	H	C	SER	A	99	L	H	HG1	THR	V	211
R	H	C	SER	A	99	L	H	HG21	THR	V	211
R	H	C	SER	A	99	L	H	HG22	THR	V	211
R	H	CB	SER	A	99	L	H	CG2	THR	V	211
R	H	CB	SER	A	99	L	H	OG1	THR	V	211
R	H	CB	SER	A	99	L	H	HA	THR	V	211
R	H	CB	SER	A	99	L	H	HG22	THR	V	211
R	H	O	SER	A	99	L	H	CA	THR	V	211
R	H	O	SER	A	99	L	H	CB	THR	V	211
R	H	O	SER	A	99	L	H	CG2	THR	V	211
R	H	O	SER	A	99	L	H	OG1	THR	V	211
R	H	O	SER	A	99	L	H	HA	THR	V	211
R	H	O	SER	A	99	L	H	HB	THR	V	211
R	H	O	SER	A	99	L	H	HG1	THR	V	211
R	H	O	SER	A	99	L	H	HG21	THR	V	211
R	H	O	SER	A	99	L	H	HG22	THR	V	211
R	H	O	SER	A	99	L	H	HG23	THR	V	211
R	H	OG	SER	A	99	L	H	HG22	THR	V	211
R	H	N	ILE	A	100	L	H	HG21	THR	V	211
R	H	N	ILE	A	100	L	H	HG22	THR	V	211
R	H	CA	ILE	A	100	L	-	OE2	GLU	V	30
R	H	CA	ILE	A	100	L	H	HG21	THR	V	211
R	H	C	ILE	A	100	L	-	OE2	GLU	V	30
R	H	O	ILE	A	100	L	-	CD	GLU	V	30
R	H	O	ILE	A	100	L	-	OE1	GLU	V	30
R	H	O	ILE	A	100	L	-	OE2	GLU	V	30
R	H	CB	LYS	A	103	L	S	HA	GLU	V	33
R	H	CG	LYS	A	103	L	S	HA	GLU	V	33
R	H	CG	LYS	A	103	L	S	HG3	GLU	V	33
R	H	CD	LYS	A	103	L	S	HA	GLU	V	33
R	H	CD	LYS	A	103	L	S	HG3	GLU	V	33
R	H	CD	LYS	A	103	L	-	CB	SER	V	209
R	H	CD	LYS	A	103	L	-	HB2	SER	V	209
R	H	CD	LYS	A	103	L	-	HB3	SER	V	209
R	H	CE	LYS	A	103	L	S	HG3	GLU	V	33
R	H	CE	LYS	A	103	L	-	HA	SER	V	209
R	H	CE	LYS	A	103	L	-	HB2	SER	V	209
R	H	CE	LYS	A	103	L	H	H	GLU	V	210
R	H	NZ	LYS	A	103	L	-	HA	SER	V	209
R	H	NZ	LYS	A	103	L	-	HB2	SER	V	209
R	H	NZ	LYS	A	103	L	H	N	GLU	V	210
R	H	NZ	LYS	A	103	L	H	H	GLU	V	210
R	H	NZ	LYS	A	103	L	H	HB3	GLU	V	210
R	H	NZ	LYS	A	103	L	H	HG2	GLU	V	210
R	H	NZ	LYS	A	103	L	H	H	THR	V	211
R	H	OE1	GLU	A	104	L	-	OD2	ASP	V	18
R	H	CD	GLN	A	106	L	H	OG1	THR	V	211
R	H	CD	GLN	A	106	L	H	HG1	THR	V	211
R	H	NE2	GLN	A	106	L	H	HB3	GLU	V	210
R	H	NE2	GLN	A	106	L	H	OG1	THR	V	211
R	H	NE2	GLN	A	106	L	H	HG1	THR	V	211
R	H	OE1	GLN	A	106	L	H	HB3	GLU	V	210
R	H	OE1	GLN	A	106	L	H	OG1	THR	V	211
R	H	OE1	GLN	A	106	L	H	H	THR	V	211
R	H	OE1	GLN	A	106	L	H	HG1	THR	V	211
R	-	CB	ALA	A	164	L	-	OE1	GLU	V	30
R	-	N	GLU	A	165	L	H	HD22	ASN	V	26
R	-	CA	GLU	A	165	L	H	ND2	ASN	V	26
R	-	CA	GLU	A	165	L	H	HD22	ASN	V	26
R	-	C	GLU	A	165	L	H	ND2	ASN	V	26
R	-	C	GLU	A	165	L	H	HD21	ASN	V	26
R	-	C	GLU	A	165	L	H	HD22	ASN	V	26
R	-	CB	GLU	A	165	L	H	CG	ASN	V	26
R	-	CB	GLU	A	165	L	H	ND2	ASN	V	26
R	-	CB	GLU	A	165	L	H	OD1	ASN	V	26
R	-	CB	GLU	A	165	L	H	HD21	ASN	V	26
R	-	CB	GLU	A	165	L	H	HD22	ASN	V	26
R	-	O	GLU	A	165	L	H	ND2	ASN	V	26
R	-	O	GLU	A	165	L	H	HD21	ASN	V	26
R	-	O	GLU	A	165	L	H	HD22	ASN	V	26
R	-	CG	GLU	A	165	L	H	ND2	ASN	V	26
R	-	CG	GLU	A	165	L	H	HD21	ASN	V	26
R	-	CG	GLU	A	165	L	H	HD22	ASN	V	26
R	-	CD	GLU	A	165	L	H	CG	ASN	V	26
R	-	CD	GLU	A	165	L	H	ND2	ASN	V	26
R	-	CD	GLU	A	165	L	H	HD21	ASN	V	26
R	-	CD	GLU	A	165	L	H	HD22	ASN	V	26
R	-	OE2	GLU	A	165	L	H	CB	ASN	V	26
R	-	OE2	GLU	A	165	L	H	CG	ASN	V	26
R	-	OE2	GLU	A	165	L	H	ND2	ASN	V	26
R	-	OE2	GLU	A	165	L	H	OD1	ASN	V	26
R	-	OE2	GLU	A	165	L	H	HB2	ASN	V	26
R	-	OE2	GLU	A	165	L	H	HB3	ASN	V	26
R	-	OE2	GLU	A	165	L	H	HD21	ASN	V	26
R	-	OE2	GLU	A	165	L	H	HD22	ASN	V	26
R	-	CA	GLN	A	167	L	H	HA	HIS	V	27
R	-	CB	GLN	A	167	L	H	HA	HIS	V	27
R	-	CB	GLN	A	167	L	H	HZ2	LYS	V	215
R	-	CB	GLN	A	167	L	H	HZ3	LYS	V	215
R	-	CG	GLN	A	167	L	H	O	ASN	V	26
R	-	CG	GLN	A	167	L	H	O	HIS	V	27
R	-	CG	GLN	A	167	L	H	HA	HIS	V	27
R	-	CG	GLN	A	167	L	H	HZ2	LYS	V	215
R	-	CG	GLN	A	167	L	H	HZ3	LYS	V	215
R	-	CD	GLN	A	167	L	H	C	ASN	V	26
R	-	CD	GLN	A	167	L	H	O	ASN	V	26
R	-	CD	GLN	A	167	L	H	N	HIS	V	27
R	-	CD	GLN	A	167	L	H	CA	HIS	V	27
R	-	CD	GLN	A	167	L	H	C	HIS	V	27
R	-	CD	GLN	A	167	L	H	CB	HIS	V	27
R	-	CD	GLN	A	167	L	H	O	HIS	V	27
R	-	CD	GLN	A	167	L	H	HA	HIS	V	27
R	-	CD	GLN	A	167	L	H	HB2	HIS	V	27
R	-	CD	GLN	A	167	L	H	N	TYR	V	28
R	-	CD	GLN	A	167	L	-	H	ALA	V	29
R	-	NE2	GLN	A	167	L	H	CA	ASN	V	26
R	-	NE2	GLN	A	167	L	H	C	ASN	V	26
R	-	NE2	GLN	A	167	L	H	O	ASN	V	26
R	-	NE2	GLN	A	167	L	H	N	HIS	V	27
R	-	NE2	GLN	A	167	L	H	CA	HIS	V	27
R	-	NE2	GLN	A	167	L	H	C	HIS	V	27
R	-	NE2	GLN	A	167	L	H	O	HIS	V	27
R	-	NE2	GLN	A	167	L	H	HA	HIS	V	27
R	-	NE2	GLN	A	167	L	H	N	TYR	V	28
R	-	NE2	GLN	A	167	L	H	H	TYR	V	28
R	-	NE2	GLN	A	167	L	-	N	ALA	V	29
R	-	NE2	GLN	A	167	L	-	CB	ALA	V	29
R	-	NE2	GLN	A	167	L	-	H	ALA	V	29
R	-	NE2	GLN	A	167	L	-	HB2	ALA	V	29
R	-	NE2	GLN	A	167	L	-	HB3	ALA	V	29
R	-	NE2	GLN	A	167	L	-	H	GLU	V	30
R	-	OE1	GLN	A	167	L	H	C	ASN	V	26
R	-	OE1	GLN	A	167	L	H	O	ASN	V	26
R	-	OE1	GLN	A	167	L	H	N	HIS	V	27
R	-	OE1	GLN	A	167	L	H	CA	HIS	V	27
R	-	OE1	GLN	A	167	L	H	C	HIS	V	27
R	-	OE1	GLN	A	167	L	H	CB	HIS	V	27
R	-	OE1	GLN	A	167	L	H	O	HIS	V	27
R	-	OE1	GLN	A	167	L	H	HA	HIS	V	27
R	-	OE1	GLN	A	167	L	H	HB2	HIS	V	27
R	-	OE1	GLN	A	167	L	H	HB3	HIS	V	27
R	-	OE1	GLN	A	167	L	H	N	TYR	V	28
R	-	OE1	GLN	A	167	L	H	H	TYR	V	28
R	-	OE1	GLN	A	167	L	-	H	ALA	V	29
R	-	OE1	GLN	A	167	L	H	HZ2	LYS	V	215
R	-	CG	PRO	A	168	L	H	HB2	HIS	V	27
R	-	CG	PRO	A	168	L	H	HB3	HIS	V	27
R	-	CD	PRO	A	168	L	H	CB	HIS	V	27
R	-	CD	PRO	A	168	L	H	HA	HIS	V	27
R	-	CD	PRO	A	168	L	H	HB2	HIS	V	27
R	-	CD	PRO	A	168	L	H	HB3	HIS	V	27

- 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