IID

A1L453_P00734.1 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	-	ALA	V	50
R	-	MET	A	1	L	-	ARG	V	53
R	-	GLY	A	11	L	-	HIS	V	138
R	-	GLY	A	11	L	-	THR	V	140
R	-	GLY	A	11	L	-	TYR	V	144
R	-	CYS	A	12	L	-	PRO	V	139
R	-	CYS	A	12	L	-	THR	V	140
R	-	CYS	A	12	L	-	MET	V	143
R	-	CYS	A	12	L	-	TYR	V	144
R	-	LEU	A	13	L	-	PRO	V	139
R	-	LEU	A	13	L	-	MET	V	143
R	-	ALA	A	14	L	-	PRO	V	139
R	-	LEU	A	15	L	-	ARG	V	104
R	-	ALA	A	2	L	-	ASN	V	40
R	-	LEU	A	21	L	-	ASP	V	105
R	-	VAL	A	22	L	-	ASP	V	105
R	-	VAL	A	22	L	-	LYS	V	106
R	-	VAL	A	22	L	-	ASN	V	107
R	-	VAL	A	22	L	H	ILE	V	110
R	-	VAL	A	22	L	S	TYR	V	79
R	-	HIS	A	23	L	-	ASN	V	107
R	-	HIS	A	23	L	H	ILE	V	110
R	-	HIS	A	23	L	S	TYR	V	79
R	-	SER	A	24	L	H	ILE	V	110
R	-	SER	A	24	L	-	ALA	V	80
R	-	GLN	A	25	L	H	ILE	V	110
R	-	GLN	A	25	L	-	ALA	V	80
R	-	HIS	A	26	L	-	ALA	V	80
R	-	HIS	A	26	L	S	LEU	V	82
R	-	VAL	A	27	L	-	ALA	V	80
R	-	VAL	A	27	L	-	GLY	V	81
R	-	VAL	A	27	L	S	LEU	V	82
R	-	PHE	A	28	L	S	LEU	V	82
R	-	LEU	A	29	L	S	LEU	V	82
R	-	HIS	A	3	L	-	GLU	V	39
R	-	HIS	A	3	L	-	ASN	V	40
R	-	HIS	A	3	L	-	GLN	V	41
R	-	HIS	A	3	L	-	GLY	V	42
R	-	HIS	A	3	L	-	ILE	V	43
R	H	SER	A	36	L	-	GLY	V	195
R	H	LEU	A	37	L	-	LEU	V	190
R	H	LEU	A	37	L	-	GLY	V	195
R	H	LEU	A	37	L	-	GLU	V	196
R	H	LEU	A	37	L	-	THR	V	197
R	-	GLN	A	39	L	-	GLN	V	194
R	-	GLN	A	39	L	-	GLU	V	196
R	-	VAL	A	4	L	-	ASN	V	40
R	-	VAL	A	4	L	-	GLN	V	41
R	-	VAL	A	4	L	-	GLY	V	42
R	-	VAL	A	4	L	-	ILE	V	43
R	-	VAL	A	4	L	-	SER	V	44
R	-	VAL	A	41	L	-	GLN	V	194
R	-	VAL	A	41	L	-	GLU	V	196
R	-	ARG	A	5	L	-	THR	V	173
R	-	ARG	A	5	L	-	GLU	V	175
R	-	ARG	A	5	L	-	GLN	V	41
R	-	ARG	A	5	L	-	ILE	V	43
R	-	GLY	A	6	L	-	THR	V	173
R	-	GLY	A	6	L	-	PRO	V	174
R	-	GLY	A	6	L	-	GLU	V	175
R	-	GLY	A	6	L	-	ILE	V	43
R	-	LEU	A	7	L	-	THR	V	173
R	-	LEU	A	7	L	-	PRO	V	174
R	-	LEU	A	7	L	H	SER	V	285
R	-	LEU	A	7	L	H	LYS	V	286
R	-	GLN	A	8	L	-	PRO	V	174
R	-	GLN	A	8	L	H	TYR	V	283
R	-	GLN	A	8	L	H	LYS	V	286
R	-	LEU	A	9	L	-	HIS	V	138
R	-	LEU	A	9	L	H	PHE	V	284
R	-	LEU	A	9	L	H	LYS	V	286
R	-	LEU	A	9	L	H	TRP	V	287

- 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

A1L453_P00734.1 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	-	N	MET	A	1	L	-	HB3	ALA	V	50
R	-	N	MET	A	1	L	-	HH12	ARG	V	53
R	-	C	MET	A	1	L	-	HH22	ARG	V	53
R	-	CB	MET	A	1	L	-	HH12	ARG	V	53
R	-	CB	MET	A	1	L	-	HH22	ARG	V	53
R	-	O	MET	A	1	L	-	HB1	ALA	V	50
R	-	O	MET	A	1	L	-	NH1	ARG	V	53
R	-	O	MET	A	1	L	-	NH2	ARG	V	53
R	-	O	MET	A	1	L	-	CZ	ARG	V	53
R	-	O	MET	A	1	L	-	HH12	ARG	V	53
R	-	O	MET	A	1	L	-	HH21	ARG	V	53
R	-	O	MET	A	1	L	-	HH22	ARG	V	53
R	-	C	ALA	A	2	L	-	CB	ASN	V	40
R	-	C	ALA	A	2	L	-	ND2	ASN	V	40
R	-	C	ALA	A	2	L	-	HB2	ASN	V	40
R	-	C	ALA	A	2	L	-	HB3	ASN	V	40
R	-	C	ALA	A	2	L	-	HD21	ASN	V	40
R	-	O	ALA	A	2	L	-	CB	ASN	V	40
R	-	O	ALA	A	2	L	-	CG	ASN	V	40
R	-	O	ALA	A	2	L	-	ND2	ASN	V	40
R	-	O	ALA	A	2	L	-	HB2	ASN	V	40
R	-	O	ALA	A	2	L	-	HB3	ASN	V	40
R	-	O	ALA	A	2	L	-	HD21	ASN	V	40
R	-	O	ALA	A	2	L	-	HD22	ASN	V	40
R	-	N	HIS	A	3	L	-	CB	ASN	V	40
R	-	N	HIS	A	3	L	-	CG	ASN	V	40
R	-	N	HIS	A	3	L	-	ND2	ASN	V	40
R	-	N	HIS	A	3	L	-	HB2	ASN	V	40
R	-	N	HIS	A	3	L	-	HB3	ASN	V	40
R	-	N	HIS	A	3	L	-	HD21	ASN	V	40
R	-	CA	HIS	A	3	L	-	CB	ASN	V	40
R	-	CA	HIS	A	3	L	-	O	ASN	V	40
R	-	CA	HIS	A	3	L	-	HB2	ASN	V	40
R	-	CA	HIS	A	3	L	-	HB3	ASN	V	40
R	-	CA	HIS	A	3	L	-	HD21	ASN	V	40
R	-	C	HIS	A	3	L	-	C	ASN	V	40
R	-	C	HIS	A	3	L	-	CB	ASN	V	40
R	-	C	HIS	A	3	L	-	O	ASN	V	40
R	-	C	HIS	A	3	L	-	HB2	ASN	V	40
R	-	C	HIS	A	3	L	-	HB3	ASN	V	40
R	-	C	HIS	A	3	L	-	HD21	ASN	V	40
R	-	C	HIS	A	3	L	-	O	GLY	V	42
R	-	C	HIS	A	3	L	-	HA	ILE	V	43
R	-	CB	HIS	A	3	L	-	HB3	GLU	V	39
R	-	CB	HIS	A	3	L	-	HB2	ASN	V	40
R	-	CB	HIS	A	3	L	-	HB3	ASN	V	40
R	-	O	HIS	A	3	L	-	CA	ASN	V	40
R	-	O	HIS	A	3	L	-	C	ASN	V	40
R	-	O	HIS	A	3	L	-	CB	ASN	V	40
R	-	O	HIS	A	3	L	-	O	ASN	V	40
R	-	O	HIS	A	3	L	-	CG	ASN	V	40
R	-	O	HIS	A	3	L	-	ND2	ASN	V	40
R	-	O	HIS	A	3	L	-	HB2	ASN	V	40
R	-	O	HIS	A	3	L	-	HB3	ASN	V	40
R	-	O	HIS	A	3	L	-	HD21	ASN	V	40
R	-	O	HIS	A	3	L	-	N	GLN	V	41
R	-	O	HIS	A	3	L	-	N	GLY	V	42
R	-	O	HIS	A	3	L	-	C	GLY	V	42
R	-	O	HIS	A	3	L	-	O	GLY	V	42
R	-	O	HIS	A	3	L	-	H	GLY	V	42
R	-	CG	HIS	A	3	L	-	HB3	GLU	V	39
R	-	CD2	HIS	A	3	L	-	HB3	GLU	V	39
R	-	N	VAL	A	4	L	-	O	ASN	V	40
R	-	N	VAL	A	4	L	-	HB3	ASN	V	40
R	-	N	VAL	A	4	L	-	C	GLY	V	42
R	-	N	VAL	A	4	L	-	O	GLY	V	42
R	-	N	VAL	A	4	L	-	N	ILE	V	43
R	-	N	VAL	A	4	L	-	CA	ILE	V	43
R	-	N	VAL	A	4	L	-	HA	ILE	V	43
R	-	N	VAL	A	4	L	-	H	SER	V	44
R	-	CA	VAL	A	4	L	-	O	GLY	V	42
R	-	CA	VAL	A	4	L	-	CA	ILE	V	43
R	-	CA	VAL	A	4	L	-	HA	ILE	V	43
R	-	CA	VAL	A	4	L	-	HG13	ILE	V	43
R	-	CA	VAL	A	4	L	-	HG22	ILE	V	43
R	-	CA	VAL	A	4	L	-	H	SER	V	44
R	-	C	VAL	A	4	L	-	O	ASN	V	40
R	-	C	VAL	A	4	L	-	O	GLY	V	42
R	-	C	VAL	A	4	L	-	CG1	ILE	V	43
R	-	C	VAL	A	4	L	-	HA	ILE	V	43
R	-	C	VAL	A	4	L	-	HG12	ILE	V	43
R	-	C	VAL	A	4	L	-	HG13	ILE	V	43
R	-	O	VAL	A	4	L	-	O	ASN	V	40
R	-	O	VAL	A	4	L	-	HA	GLN	V	41
R	-	CG2	VAL	A	4	L	-	H	SER	V	44
R	-	N	ARG	A	5	L	-	CB	ILE	V	43
R	-	N	ARG	A	5	L	-	CG1	ILE	V	43
R	-	N	ARG	A	5	L	-	CD1	ILE	V	43
R	-	N	ARG	A	5	L	-	HA	ILE	V	43
R	-	N	ARG	A	5	L	-	HG12	ILE	V	43
R	-	N	ARG	A	5	L	-	HG13	ILE	V	43
R	-	N	ARG	A	5	L	-	HG22	ILE	V	43
R	-	N	ARG	A	5	L	-	HD11	ILE	V	43
R	-	N	ARG	A	5	L	-	HG21	THR	V	173
R	-	CA	ARG	A	5	L	-	CG1	ILE	V	43
R	-	CA	ARG	A	5	L	-	CD1	ILE	V	43
R	-	CA	ARG	A	5	L	-	HG12	ILE	V	43
R	-	CA	ARG	A	5	L	-	HG13	ILE	V	43
R	-	CA	ARG	A	5	L	-	HD11	ILE	V	43
R	-	CA	ARG	A	5	L	-	CG2	THR	V	173
R	-	CA	ARG	A	5	L	-	HG21	THR	V	173
R	-	C	ARG	A	5	L	-	CG1	ILE	V	43
R	-	C	ARG	A	5	L	-	CD1	ILE	V	43
R	-	C	ARG	A	5	L	-	HG12	ILE	V	43
R	-	C	ARG	A	5	L	-	HG13	ILE	V	43
R	-	C	ARG	A	5	L	-	HD11	ILE	V	43
R	-	C	ARG	A	5	L	-	CB	THR	V	173
R	-	C	ARG	A	5	L	-	CG2	THR	V	173
R	-	C	ARG	A	5	L	-	OG1	THR	V	173
R	-	C	ARG	A	5	L	-	HB	THR	V	173
R	-	C	ARG	A	5	L	-	HG1	THR	V	173
R	-	C	ARG	A	5	L	-	HG21	THR	V	173
R	-	C	ARG	A	5	L	-	HG22	THR	V	173
R	-	C	ARG	A	5	L	-	HG23	THR	V	173
R	-	C	ARG	A	5	L	-	OE2	GLU	V	175
R	-	O	ARG	A	5	L	-	O	GLN	V	41
R	-	O	ARG	A	5	L	-	HA	GLN	V	41
R	-	O	ARG	A	5	L	-	HG12	ILE	V	43
R	-	O	ARG	A	5	L	-	HG13	ILE	V	43
R	-	O	ARG	A	5	L	-	CB	THR	V	173
R	-	O	ARG	A	5	L	-	CG2	THR	V	173
R	-	O	ARG	A	5	L	-	OG1	THR	V	173
R	-	O	ARG	A	5	L	-	HB	THR	V	173
R	-	O	ARG	A	5	L	-	HG1	THR	V	173
R	-	O	ARG	A	5	L	-	HG21	THR	V	173
R	-	O	ARG	A	5	L	-	HG22	THR	V	173
R	-	O	ARG	A	5	L	-	HG23	THR	V	173
R	-	O	ARG	A	5	L	-	OE2	GLU	V	175
R	-	N	GLY	A	6	L	-	CD1	ILE	V	43
R	-	N	GLY	A	6	L	-	HG12	ILE	V	43
R	-	N	GLY	A	6	L	-	HD11	ILE	V	43
R	-	N	GLY	A	6	L	-	CB	THR	V	173
R	-	N	GLY	A	6	L	-	CG2	THR	V	173
R	-	N	GLY	A	6	L	-	OG1	THR	V	173
R	-	N	GLY	A	6	L	-	HB	THR	V	173
R	-	N	GLY	A	6	L	-	HG1	THR	V	173
R	-	N	GLY	A	6	L	-	HG21	THR	V	173
R	-	N	GLY	A	6	L	-	HG22	THR	V	173
R	-	N	GLY	A	6	L	-	HG23	THR	V	173
R	-	N	GLY	A	6	L	-	HD3	PRO	V	174
R	-	N	GLY	A	6	L	-	OE2	GLU	V	175
R	-	CA	GLY	A	6	L	-	CD1	ILE	V	43
R	-	CA	GLY	A	6	L	-	HD11	ILE	V	43
R	-	CA	GLY	A	6	L	-	CB	THR	V	173
R	-	CA	GLY	A	6	L	-	CG2	THR	V	173
R	-	CA	GLY	A	6	L	-	HB	THR	V	173
R	-	CA	GLY	A	6	L	-	HG21	THR	V	173
R	-	CA	GLY	A	6	L	-	HG22	THR	V	173
R	-	CA	GLY	A	6	L	-	HD3	PRO	V	174
R	-	C	GLY	A	6	L	-	HD11	ILE	V	43
R	-	C	GLY	A	6	L	-	CB	THR	V	173
R	-	C	GLY	A	6	L	-	HB	THR	V	173
R	-	C	GLY	A	6	L	-	HG21	THR	V	173
R	-	C	GLY	A	6	L	-	HG22	THR	V	173
R	-	C	GLY	A	6	L	-	CD	PRO	V	174
R	-	C	GLY	A	6	L	-	HD2	PRO	V	174
R	-	C	GLY	A	6	L	-	HD3	PRO	V	174
R	-	C	GLY	A	6	L	-	OE1	GLU	V	175
R	-	C	GLY	A	6	L	-	OE2	GLU	V	175
R	-	O	GLY	A	6	L	-	CB	THR	V	173
R	-	O	GLY	A	6	L	-	HB	THR	V	173
R	-	O	GLY	A	6	L	-	HG1	THR	V	173
R	-	O	GLY	A	6	L	-	N	PRO	V	174
R	-	O	GLY	A	6	L	-	CG	PRO	V	174
R	-	O	GLY	A	6	L	-	CD	PRO	V	174
R	-	O	GLY	A	6	L	-	HB2	PRO	V	174
R	-	O	GLY	A	6	L	-	HG2	PRO	V	174
R	-	O	GLY	A	6	L	-	HD2	PRO	V	174
R	-	O	GLY	A	6	L	-	HD3	PRO	V	174
R	-	O	GLY	A	6	L	-	CD	GLU	V	175
R	-	O	GLY	A	6	L	-	OE1	GLU	V	175
R	-	O	GLY	A	6	L	-	OE2	GLU	V	175
R	-	O	GLY	A	6	L	-	H	GLU	V	175
R	-	N	LEU	A	7	L	-	HB	THR	V	173
R	-	N	LEU	A	7	L	-	CD	PRO	V	174
R	-	N	LEU	A	7	L	-	HG2	PRO	V	174
R	-	N	LEU	A	7	L	-	HD2	PRO	V	174
R	-	N	LEU	A	7	L	-	HD3	PRO	V	174
R	-	N	LEU	A	7	L	H	OG	SER	V	285
R	-	N	LEU	A	7	L	H	HG	SER	V	285
R	-	N	LEU	A	7	L	H	HB2	LYS	V	286
R	-	CA	LEU	A	7	L	-	HG2	PRO	V	174
R	-	CA	LEU	A	7	L	-	HD3	PRO	V	174
R	-	CA	LEU	A	7	L	H	HB2	LYS	V	286
R	-	C	LEU	A	7	L	-	CG	PRO	V	174
R	-	C	LEU	A	7	L	-	HG2	PRO	V	174
R	-	C	LEU	A	7	L	-	HD3	PRO	V	174
R	-	C	LEU	A	7	L	H	HB2	LYS	V	286
R	-	CB	LEU	A	7	L	H	HB2	LYS	V	286
R	-	O	LEU	A	7	L	-	CG	PRO	V	174
R	-	O	LEU	A	7	L	-	HB2	PRO	V	174
R	-	O	LEU	A	7	L	-	HG2	PRO	V	174
R	-	O	LEU	A	7	L	-	HD3	PRO	V	174
R	-	CG	LEU	A	7	L	H	HB2	LYS	V	286
R	-	CG	LEU	A	7	L	H	HG2	LYS	V	286
R	-	CG	LEU	A	7	L	H	HD2	LYS	V	286
R	-	CG	LEU	A	7	L	H	HE2	LYS	V	286
R	-	CD1	LEU	A	7	L	H	HG2	LYS	V	286
R	-	CD2	LEU	A	7	L	H	HG2	LYS	V	286
R	-	CD2	LEU	A	7	L	H	HE2	LYS	V	286
R	-	N	GLN	A	8	L	-	CG	PRO	V	174
R	-	N	GLN	A	8	L	-	HG2	PRO	V	174
R	-	N	GLN	A	8	L	H	H	LYS	V	286
R	-	N	GLN	A	8	L	H	HB2	LYS	V	286
R	-	CA	GLN	A	8	L	H	HB2	LYS	V	286
R	-	CA	GLN	A	8	L	H	HB3	LYS	V	286
R	-	CA	GLN	A	8	L	H	HD2	LYS	V	286
R	-	C	GLN	A	8	L	H	HB2	LYS	V	286
R	-	C	GLN	A	8	L	H	HB3	LYS	V	286
R	-	C	GLN	A	8	L	H	HD2	LYS	V	286
R	-	O	GLN	A	8	L	H	O	TYR	V	283
R	-	CG	GLN	A	8	L	H	HD2	LYS	V	286
R	-	N	LEU	A	9	L	H	CB	LYS	V	286
R	-	N	LEU	A	9	L	H	CD	LYS	V	286
R	-	N	LEU	A	9	L	H	HB2	LYS	V	286
R	-	N	LEU	A	9	L	H	HB3	LYS	V	286
R	-	N	LEU	A	9	L	H	HD2	LYS	V	286
R	-	N	LEU	A	9	L	H	HD3	LYS	V	286
R	-	CA	LEU	A	9	L	H	HB3	LYS	V	286
R	-	CB	LEU	A	9	L	H	HB3	LYS	V	286
R	-	CB	LEU	A	9	L	H	HD3	LYS	V	286
R	-	CG	LEU	A	9	L	-	HE2	HIS	V	138
R	-	CG	LEU	A	9	L	H	HB3	LYS	V	286
R	-	CG	LEU	A	9	L	H	CB	TRP	V	287
R	-	CG	LEU	A	9	L	H	H	TRP	V	287
R	-	CG	LEU	A	9	L	H	HB2	TRP	V	287
R	-	CD1	LEU	A	9	L	-	HE2	HIS	V	138
R	-	CD1	LEU	A	9	L	H	HA	PHE	V	284
R	-	CD1	LEU	A	9	L	H	C	LYS	V	286
R	-	CD1	LEU	A	9	L	H	HB3	LYS	V	286
R	-	CD1	LEU	A	9	L	H	N	TRP	V	287
R	-	CD1	LEU	A	9	L	H	CA	TRP	V	287
R	-	CD1	LEU	A	9	L	H	CB	TRP	V	287
R	-	CD1	LEU	A	9	L	H	CG	TRP	V	287
R	-	CD1	LEU	A	9	L	H	H	TRP	V	287
R	-	CD1	LEU	A	9	L	H	HA	TRP	V	287
R	-	CD1	LEU	A	9	L	H	HB2	TRP	V	287
R	-	CD1	LEU	A	9	L	H	HB3	TRP	V	287
R	-	CD2	LEU	A	9	L	-	NE2	HIS	V	138
R	-	CD2	LEU	A	9	L	-	HE1	HIS	V	138
R	-	CD2	LEU	A	9	L	-	HE2	HIS	V	138
R	-	CD2	LEU	A	9	L	H	HB2	TRP	V	287
R	-	CA	GLY	A	11	L	-	HG21	THR	V	140
R	-	C	GLY	A	11	L	-	CG2	THR	V	140
R	-	C	GLY	A	11	L	-	HG21	THR	V	140
R	-	C	GLY	A	11	L	-	HG22	THR	V	140
R	-	C	GLY	A	11	L	-	HG23	THR	V	140
R	-	O	GLY	A	11	L	-	HE1	HIS	V	138
R	-	O	GLY	A	11	L	-	CB	THR	V	140
R	-	O	GLY	A	11	L	-	CG2	THR	V	140
R	-	O	GLY	A	11	L	-	HG21	THR	V	140
R	-	O	GLY	A	11	L	-	HG22	THR	V	140
R	-	O	GLY	A	11	L	-	HG23	THR	V	140
R	-	O	GLY	A	11	L	-	HE2	TYR	V	144
R	-	C	CYS	A	12	L	-	HB3	PRO	V	139
R	-	C	CYS	A	12	L	-	HG23	THR	V	140
R	-	C	CYS	A	12	L	-	HE1	MET	V	143
R	-	CB	CYS	A	12	L	-	HE1	MET	V	143
R	-	CB	CYS	A	12	L	-	OH	TYR	V	144
R	-	CB	CYS	A	12	L	-	HH	TYR	V	144
R	-	O	CYS	A	12	L	-	HB3	PRO	V	139
R	-	O	CYS	A	12	L	-	CG2	THR	V	140
R	-	O	CYS	A	12	L	-	HA	THR	V	140
R	-	O	CYS	A	12	L	-	HG22	THR	V	140
R	-	O	CYS	A	12	L	-	HG23	THR	V	140
R	-	O	CYS	A	12	L	-	SD	MET	V	143
R	-	O	CYS	A	12	L	-	CE	MET	V	143
R	-	O	CYS	A	12	L	-	HE1	MET	V	143
R	-	N	LEU	A	13	L	-	HB3	PRO	V	139
R	-	C	LEU	A	13	L	-	HB3	PRO	V	139
R	-	CB	LEU	A	13	L	-	HE1	MET	V	143
R	-	O	LEU	A	13	L	-	O	PRO	V	139
R	-	O	LEU	A	13	L	-	HB3	PRO	V	139
R	-	O	LEU	A	13	L	-	SD	MET	V	143
R	-	O	LEU	A	13	L	-	CE	MET	V	143
R	-	O	LEU	A	13	L	-	HE1	MET	V	143
R	-	O	LEU	A	13	L	-	HE3	MET	V	143
R	-	N	ALA	A	14	L	-	HB3	PRO	V	139
R	-	O	LEU	A	15	L	-	HH12	ARG	V	104
R	-	C	LEU	A	21	L	-	O	ASP	V	105
R	-	C	LEU	A	21	L	-	HB3	ASP	V	105
R	-	O	LEU	A	21	L	-	CA	ASP	V	105
R	-	O	LEU	A	21	L	-	C	ASP	V	105
R	-	O	LEU	A	21	L	-	CB	ASP	V	105
R	-	O	LEU	A	21	L	-	O	ASP	V	105
R	-	O	LEU	A	21	L	-	HA	ASP	V	105
R	-	O	LEU	A	21	L	-	HB3	ASP	V	105
R	-	N	VAL	A	22	L	-	O	ASP	V	105
R	-	N	VAL	A	22	L	-	H	ASN	V	107
R	-	CA	VAL	A	22	L	-	O	ASP	V	105
R	-	C	VAL	A	22	L	S	OH	TYR	V	79
R	-	C	VAL	A	22	L	S	HH	TYR	V	79
R	-	C	VAL	A	22	L	-	H	ASN	V	107
R	-	C	VAL	A	22	L	-	HB2	ASN	V	107
R	-	C	VAL	A	22	L	H	HD11	ILE	V	110
R	-	C	VAL	A	22	L	H	HD13	ILE	V	110
R	-	O	VAL	A	22	L	S	OH	TYR	V	79
R	-	O	VAL	A	22	L	S	HH	TYR	V	79
R	-	O	VAL	A	22	L	-	HA	LYS	V	106
R	-	O	VAL	A	22	L	-	N	ASN	V	107
R	-	O	VAL	A	22	L	-	H	ASN	V	107
R	-	O	VAL	A	22	L	-	HB3	ASN	V	107
R	-	O	VAL	A	22	L	H	HD11	ILE	V	110
R	-	O	VAL	A	22	L	H	HD13	ILE	V	110
R	-	N	HIS	A	23	L	-	HB2	ASN	V	107
R	-	N	HIS	A	23	L	-	HB3	ASN	V	107
R	-	N	HIS	A	23	L	H	CD1	ILE	V	110
R	-	N	HIS	A	23	L	H	HD11	ILE	V	110
R	-	N	HIS	A	23	L	H	HD12	ILE	V	110
R	-	N	HIS	A	23	L	H	HD13	ILE	V	110
R	-	CA	HIS	A	23	L	H	CD1	ILE	V	110
R	-	CA	HIS	A	23	L	H	HD11	ILE	V	110
R	-	CA	HIS	A	23	L	H	HD12	ILE	V	110
R	-	CA	HIS	A	23	L	H	HD13	ILE	V	110
R	-	C	HIS	A	23	L	S	OH	TYR	V	79
R	-	C	HIS	A	23	L	H	CD1	ILE	V	110
R	-	C	HIS	A	23	L	H	HG21	ILE	V	110
R	-	C	HIS	A	23	L	H	HD11	ILE	V	110
R	-	C	HIS	A	23	L	H	HD12	ILE	V	110
R	-	C	HIS	A	23	L	H	HD13	ILE	V	110
R	-	O	HIS	A	23	L	S	OH	TYR	V	79
R	-	O	HIS	A	23	L	S	HE1	TYR	V	79
R	-	O	HIS	A	23	L	H	CD1	ILE	V	110
R	-	O	HIS	A	23	L	H	HG21	ILE	V	110
R	-	O	HIS	A	23	L	H	HD11	ILE	V	110
R	-	O	HIS	A	23	L	H	HD12	ILE	V	110
R	-	O	HIS	A	23	L	H	HD13	ILE	V	110
R	-	N	SER	A	24	L	H	CG1	ILE	V	110
R	-	N	SER	A	24	L	H	CD1	ILE	V	110
R	-	N	SER	A	24	L	H	HG12	ILE	V	110
R	-	N	SER	A	24	L	H	HG21	ILE	V	110
R	-	N	SER	A	24	L	H	HD11	ILE	V	110
R	-	N	SER	A	24	L	H	HD12	ILE	V	110
R	-	N	SER	A	24	L	H	HD13	ILE	V	110
R	-	CA	SER	A	24	L	-	HB2	ALA	V	80
R	-	CA	SER	A	24	L	H	CG1	ILE	V	110
R	-	CA	SER	A	24	L	H	CG2	ILE	V	110
R	-	CA	SER	A	24	L	H	CD1	ILE	V	110
R	-	CA	SER	A	24	L	H	HG12	ILE	V	110
R	-	CA	SER	A	24	L	H	HG21	ILE	V	110
R	-	CA	SER	A	24	L	H	HG22	ILE	V	110
R	-	CA	SER	A	24	L	H	HD11	ILE	V	110
R	-	CA	SER	A	24	L	H	HD12	ILE	V	110
R	-	CA	SER	A	24	L	H	HD13	ILE	V	110
R	-	C	SER	A	24	L	-	HB1	ALA	V	80
R	-	C	SER	A	24	L	-	HB2	ALA	V	80
R	-	C	SER	A	24	L	H	HG21	ILE	V	110
R	-	C	SER	A	24	L	H	HD12	ILE	V	110
R	-	CB	SER	A	24	L	H	CG1	ILE	V	110
R	-	CB	SER	A	24	L	H	CD1	ILE	V	110
R	-	CB	SER	A	24	L	H	HG12	ILE	V	110
R	-	CB	SER	A	24	L	H	HG21	ILE	V	110
R	-	CB	SER	A	24	L	H	HD11	ILE	V	110
R	-	CB	SER	A	24	L	H	HD12	ILE	V	110
R	-	OG	SER	A	24	L	H	HD12	ILE	V	110
R	-	N	GLN	A	25	L	-	CB	ALA	V	80
R	-	N	GLN	A	25	L	-	HB1	ALA	V	80
R	-	N	GLN	A	25	L	-	HB2	ALA	V	80
R	-	N	GLN	A	25	L	H	HD12	ILE	V	110
R	-	CA	GLN	A	25	L	-	HB1	ALA	V	80
R	-	C	GLN	A	25	L	-	CB	ALA	V	80
R	-	C	GLN	A	25	L	-	HB1	ALA	V	80
R	-	C	GLN	A	25	L	-	HB2	ALA	V	80
R	-	C	GLN	A	25	L	-	HB3	ALA	V	80
R	-	O	GLN	A	25	L	-	CB	ALA	V	80
R	-	O	GLN	A	25	L	-	HB1	ALA	V	80
R	-	O	GLN	A	25	L	-	HB2	ALA	V	80
R	-	O	GLN	A	25	L	-	HB3	ALA	V	80
R	-	N	HIS	A	26	L	-	HB1	ALA	V	80
R	-	CA	HIS	A	26	L	-	HB1	ALA	V	80
R	-	C	HIS	A	26	L	-	O	ALA	V	80
R	-	C	HIS	A	26	L	-	HB1	ALA	V	80
R	-	C	HIS	A	26	L	-	HB3	ALA	V	80
R	-	C	HIS	A	26	L	S	CD1	LEU	V	82
R	-	C	HIS	A	26	L	S	HG	LEU	V	82
R	-	C	HIS	A	26	L	S	HD11	LEU	V	82
R	-	C	HIS	A	26	L	S	HD12	LEU	V	82
R	-	O	HIS	A	26	L	-	O	ALA	V	80
R	-	O	HIS	A	26	L	-	HB3	ALA	V	80
R	-	O	HIS	A	26	L	S	CG	LEU	V	82
R	-	O	HIS	A	26	L	S	CD1	LEU	V	82
R	-	O	HIS	A	26	L	S	HB2	LEU	V	82
R	-	O	HIS	A	26	L	S	HG	LEU	V	82
R	-	O	HIS	A	26	L	S	HD11	LEU	V	82
R	-	O	HIS	A	26	L	S	HD12	LEU	V	82
R	-	O	HIS	A	26	L	S	HD13	LEU	V	82
R	-	N	VAL	A	27	L	-	O	ALA	V	80
R	-	N	VAL	A	27	L	-	HB1	ALA	V	80
R	-	N	VAL	A	27	L	S	HG	LEU	V	82
R	-	N	VAL	A	27	L	S	HD12	LEU	V	82
R	-	CA	VAL	A	27	L	-	C	ALA	V	80
R	-	CA	VAL	A	27	L	-	O	ALA	V	80
R	-	CA	VAL	A	27	L	-	HA3	GLY	V	81
R	-	CA	VAL	A	27	L	S	CG	LEU	V	82
R	-	CA	VAL	A	27	L	S	CD1	LEU	V	82
R	-	CA	VAL	A	27	L	S	CD2	LEU	V	82
R	-	CA	VAL	A	27	L	S	HG	LEU	V	82
R	-	CA	VAL	A	27	L	S	HD11	LEU	V	82
R	-	CA	VAL	A	27	L	S	HD12	LEU	V	82
R	-	CA	VAL	A	27	L	S	HD21	LEU	V	82
R	-	CA	VAL	A	27	L	S	HD23	LEU	V	82
R	-	C	VAL	A	27	L	S	CG	LEU	V	82
R	-	C	VAL	A	27	L	S	CD1	LEU	V	82
R	-	C	VAL	A	27	L	S	CD2	LEU	V	82
R	-	C	VAL	A	27	L	S	HG	LEU	V	82
R	-	C	VAL	A	27	L	S	HD11	LEU	V	82
R	-	C	VAL	A	27	L	S	HD12	LEU	V	82
R	-	C	VAL	A	27	L	S	HD21	LEU	V	82
R	-	C	VAL	A	27	L	S	HD23	LEU	V	82
R	-	CB	VAL	A	27	L	-	C	ALA	V	80
R	-	CB	VAL	A	27	L	-	O	ALA	V	80
R	-	CB	VAL	A	27	L	-	CA	GLY	V	81
R	-	CB	VAL	A	27	L	-	HA3	GLY	V	81
R	-	CB	VAL	A	27	L	S	HG	LEU	V	82
R	-	CB	VAL	A	27	L	S	HD23	LEU	V	82
R	-	O	VAL	A	27	L	S	CG	LEU	V	82
R	-	O	VAL	A	27	L	S	CD1	LEU	V	82
R	-	O	VAL	A	27	L	S	CD2	LEU	V	82
R	-	O	VAL	A	27	L	S	HG	LEU	V	82
R	-	O	VAL	A	27	L	S	HD12	LEU	V	82
R	-	O	VAL	A	27	L	S	HD13	LEU	V	82
R	-	O	VAL	A	27	L	S	HD21	LEU	V	82
R	-	O	VAL	A	27	L	S	HD22	LEU	V	82
R	-	O	VAL	A	27	L	S	HD23	LEU	V	82
R	-	CG1	VAL	A	27	L	-	O	ALA	V	80
R	-	CG1	VAL	A	27	L	-	CA	GLY	V	81
R	-	CG1	VAL	A	27	L	-	C	GLY	V	81
R	-	CG1	VAL	A	27	L	-	O	GLY	V	81
R	-	CG1	VAL	A	27	L	-	HA3	GLY	V	81
R	-	CG1	VAL	A	27	L	S	HG	LEU	V	82
R	-	CG1	VAL	A	27	L	S	HD21	LEU	V	82
R	-	CG1	VAL	A	27	L	S	HD23	LEU	V	82
R	-	CG2	VAL	A	27	L	-	C	ALA	V	80
R	-	CG2	VAL	A	27	L	-	O	ALA	V	80
R	-	CG2	VAL	A	27	L	-	HB1	ALA	V	80
R	-	CG2	VAL	A	27	L	-	N	GLY	V	81
R	-	CG2	VAL	A	27	L	-	CA	GLY	V	81
R	-	CG2	VAL	A	27	L	-	C	GLY	V	81
R	-	CG2	VAL	A	27	L	-	HA2	GLY	V	81
R	-	CG2	VAL	A	27	L	-	HA3	GLY	V	81
R	-	CG2	VAL	A	27	L	S	HG	LEU	V	82
R	-	N	PHE	A	28	L	S	CD1	LEU	V	82
R	-	N	PHE	A	28	L	S	HG	LEU	V	82
R	-	N	PHE	A	28	L	S	HD12	LEU	V	82
R	-	N	PHE	A	28	L	S	HD23	LEU	V	82
R	-	CA	PHE	A	28	L	S	HD12	LEU	V	82
R	-	CA	PHE	A	28	L	S	HD23	LEU	V	82
R	-	C	PHE	A	28	L	S	HD12	LEU	V	82
R	-	O	PHE	A	28	L	S	HD12	LEU	V	82
R	-	N	LEU	A	29	L	S	HD12	LEU	V	82
R	-	CG	LEU	A	29	L	S	HD13	LEU	V	82
R	H	O	SER	A	36	L	-	HA3	GLY	V	195
R	H	CA	LEU	A	37	L	-	O	GLY	V	195
R	H	C	LEU	A	37	L	-	O	GLY	V	195
R	H	O	LEU	A	37	L	-	C	GLY	V	195
R	H	O	LEU	A	37	L	-	O	GLY	V	195
R	H	O	LEU	A	37	L	-	HA	GLU	V	196
R	H	O	LEU	A	37	L	-	H	THR	V	197
R	H	CD2	LEU	A	37	L	-	CD2	LEU	V	190
R	H	CD2	LEU	A	37	L	-	HD22	LEU	V	190
R	H	CD2	LEU	A	37	L	-	HD23	LEU	V	190
R	H	CD2	LEU	A	37	L	-	HG22	THR	V	197
R	-	CA	GLN	A	39	L	-	O	GLN	V	194
R	-	C	GLN	A	39	L	-	HB3	GLN	V	194
R	-	CB	GLN	A	39	L	-	C	GLN	V	194
R	-	CB	GLN	A	39	L	-	O	GLN	V	194
R	-	CB	GLN	A	39	L	-	HB3	GLN	V	194
R	-	O	GLN	A	39	L	-	HB3	GLN	V	194
R	-	O	GLN	A	39	L	-	CG	GLU	V	196
R	-	O	GLN	A	39	L	-	HG2	GLU	V	196
R	-	O	GLN	A	39	L	-	HG3	GLU	V	196
R	-	CG	GLN	A	39	L	-	O	GLN	V	194
R	-	CD	GLN	A	39	L	-	O	GLN	V	194
R	-	CD	GLN	A	39	L	-	HA	GLN	V	194
R	-	OE1	GLN	A	39	L	-	CA	GLN	V	194
R	-	OE1	GLN	A	39	L	-	C	GLN	V	194
R	-	OE1	GLN	A	39	L	-	O	GLN	V	194
R	-	OE1	GLN	A	39	L	-	HA	GLN	V	194
R	-	OE1	GLN	A	39	L	-	HB3	GLN	V	194
R	-	N	VAL	A	41	L	-	OE1	GLU	V	196
R	-	CB	VAL	A	41	L	-	OE1	GLU	V	196
R	-	CG2	VAL	A	41	L	-	HB2	GLN	V	194
R	-	CG2	VAL	A	41	L	-	HG2	GLN	V	194
R	-	CG2	VAL	A	41	L	-	CD	GLU	V	196
R	-	CG2	VAL	A	41	L	-	OE1	GLU	V	196

- 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