IID

P12838_P80188.1 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	S	ARG	V	78
R	-	MET	A	1	L	S	ASN	V	81
R	H	LEU	A	10	L	-	VAL	V	56
R	H	LEU	A	10	L	-	THR	V	60
R	H	LEU	A	12	L	-	PHE	V	46
R	H	LEU	A	12	L	-	TRP	V	48
R	H	LEU	A	13	L	H	LYS	V	50
R	H	LEU	A	13	L	-	ALA	V	53
R	H	LEU	A	16	L	H	LYS	V	50
R	-	PRO	A	2	L	S	ASN	V	81
R	-	LEU	A	3	L	S	VAL	V	79
R	-	LEU	A	3	L	S	GLY	V	80
R	-	LEU	A	3	L	S	ASN	V	81
R	-	LEU	A	3	L	S	TYR	V	91
R	-	GLY	A	4	L	S	GLY	V	80
R	-	GLY	A	4	L	S	ASN	V	81
R	-	GLY	A	4	L	S	TYR	V	91
R	-	LEU	A	5	L	-	TRP	V	48
R	-	LEU	A	5	L	S	ASN	V	81
R	-	LEU	A	5	L	S	LEU	V	83
R	H	LEU	A	6	L	-	TRP	V	48
R	H	LEU	A	6	L	H	SER	V	52
R	H	LEU	A	6	L	-	ALA	V	53
R	H	LEU	A	6	L	-	LEU	V	54
R	H	LEU	A	6	L	-	VAL	V	56
R	H	TRP	A	7	L	-	THR	V	60
R	H	TRP	A	7	L	S	MET	V	63
R	H	TRP	A	7	L	S	VAL	V	79
R	H	TRP	A	7	L	S	TYR	V	91
R	H	LEU	A	8	L	-	TRP	V	48
R	H	LEU	A	8	L	S	TYR	V	91
R	H	GLY	A	9	L	-	TRP	V	48

- 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

P12838_P80188.1 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	-	CA	MET	A	1	L	S	ND2	ASN	V	81
R	-	CA	MET	A	1	L	S	HD21	ASN	V	81
R	-	CA	MET	A	1	L	S	HD22	ASN	V	81
R	-	C	MET	A	1	L	S	ND2	ASN	V	81
R	-	C	MET	A	1	L	S	HD21	ASN	V	81
R	-	CB	MET	A	1	L	S	ND2	ASN	V	81
R	-	CB	MET	A	1	L	S	HD21	ASN	V	81
R	-	CB	MET	A	1	L	S	HD22	ASN	V	81
R	-	O	MET	A	1	L	S	ND2	ASN	V	81
R	-	O	MET	A	1	L	S	HD21	ASN	V	81
R	-	CG	MET	A	1	L	S	ND2	ASN	V	81
R	-	CG	MET	A	1	L	S	HD21	ASN	V	81
R	-	CG	MET	A	1	L	S	HD22	ASN	V	81
R	-	SD	MET	A	1	L	S	ND2	ASN	V	81
R	-	SD	MET	A	1	L	S	HD22	ASN	V	81
R	-	CE	MET	A	1	L	S	HD2	ARG	V	78
R	-	CE	MET	A	1	L	S	CG	ASN	V	81
R	-	CE	MET	A	1	L	S	ND2	ASN	V	81
R	-	CE	MET	A	1	L	S	OD1	ASN	V	81
R	-	CE	MET	A	1	L	S	HD21	ASN	V	81
R	-	CE	MET	A	1	L	S	HD22	ASN	V	81
R	-	N	PRO	A	2	L	S	HD21	ASN	V	81
R	-	CA	PRO	A	2	L	S	H	ASN	V	81
R	-	CA	PRO	A	2	L	S	HB2	ASN	V	81
R	-	CA	PRO	A	2	L	S	HD21	ASN	V	81
R	-	C	PRO	A	2	L	S	H	ASN	V	81
R	-	N	LEU	A	3	L	S	CA	GLY	V	80
R	-	N	LEU	A	3	L	S	HA2	GLY	V	80
R	-	N	LEU	A	3	L	S	HA3	GLY	V	80
R	-	N	LEU	A	3	L	S	H	ASN	V	81
R	-	CA	LEU	A	3	L	S	O	VAL	V	79
R	-	CA	LEU	A	3	L	S	CA	GLY	V	80
R	-	CA	LEU	A	3	L	S	HA2	GLY	V	80
R	-	CA	LEU	A	3	L	S	HA3	GLY	V	80
R	-	CA	LEU	A	3	L	S	H	ASN	V	81
R	-	C	LEU	A	3	L	S	O	VAL	V	79
R	-	C	LEU	A	3	L	S	CA	GLY	V	80
R	-	C	LEU	A	3	L	S	HA2	GLY	V	80
R	-	C	LEU	A	3	L	S	HA3	GLY	V	80
R	-	C	LEU	A	3	L	S	H	ASN	V	81
R	-	CB	LEU	A	3	L	S	O	VAL	V	79
R	-	CB	LEU	A	3	L	S	CA	GLY	V	80
R	-	CB	LEU	A	3	L	S	HA2	GLY	V	80
R	-	CB	LEU	A	3	L	S	HA3	GLY	V	80
R	-	O	LEU	A	3	L	S	O	VAL	V	79
R	-	O	LEU	A	3	L	S	HG11	VAL	V	79
R	-	O	LEU	A	3	L	S	CA	GLY	V	80
R	-	O	LEU	A	3	L	S	HA3	GLY	V	80
R	-	O	LEU	A	3	L	S	HD1	TYR	V	91
R	-	CG	LEU	A	3	L	S	O	VAL	V	79
R	-	CD2	LEU	A	3	L	S	O	VAL	V	79
R	-	N	GLY	A	4	L	S	CA	GLY	V	80
R	-	N	GLY	A	4	L	S	C	GLY	V	80
R	-	N	GLY	A	4	L	S	HA2	GLY	V	80
R	-	N	GLY	A	4	L	S	HA3	GLY	V	80
R	-	N	GLY	A	4	L	S	N	ASN	V	81
R	-	N	GLY	A	4	L	S	O	ASN	V	81
R	-	N	GLY	A	4	L	S	H	ASN	V	81
R	-	N	GLY	A	4	L	S	HD1	TYR	V	91
R	-	CA	GLY	A	4	L	S	CA	GLY	V	80
R	-	CA	GLY	A	4	L	S	C	GLY	V	80
R	-	CA	GLY	A	4	L	S	HA3	GLY	V	80
R	-	CA	GLY	A	4	L	S	N	ASN	V	81
R	-	CA	GLY	A	4	L	S	C	ASN	V	81
R	-	CA	GLY	A	4	L	S	O	ASN	V	81
R	-	CA	GLY	A	4	L	S	H	ASN	V	81
R	-	CA	GLY	A	4	L	S	CB	TYR	V	91
R	-	CA	GLY	A	4	L	S	CG	TYR	V	91
R	-	CA	GLY	A	4	L	S	CD1	TYR	V	91
R	-	CA	GLY	A	4	L	S	HB2	TYR	V	91
R	-	CA	GLY	A	4	L	S	HB3	TYR	V	91
R	-	CA	GLY	A	4	L	S	HD1	TYR	V	91
R	-	C	GLY	A	4	L	S	O	ASN	V	81
R	-	C	GLY	A	4	L	S	CD1	TYR	V	91
R	-	C	GLY	A	4	L	S	HD1	TYR	V	91
R	-	O	GLY	A	4	L	S	O	ASN	V	81
R	-	O	GLY	A	4	L	S	CG	TYR	V	91
R	-	O	GLY	A	4	L	S	CD1	TYR	V	91
R	-	O	GLY	A	4	L	S	CE1	TYR	V	91
R	-	O	GLY	A	4	L	S	CZ	TYR	V	91
R	-	O	GLY	A	4	L	S	HD1	TYR	V	91
R	-	O	GLY	A	4	L	S	HE1	TYR	V	91
R	-	N	LEU	A	5	L	S	O	ASN	V	81
R	-	CA	LEU	A	5	L	-	HH2	TRP	V	48
R	-	CA	LEU	A	5	L	-	HZ3	TRP	V	48
R	-	C	LEU	A	5	L	-	CH2	TRP	V	48
R	-	C	LEU	A	5	L	-	CZ3	TRP	V	48
R	-	C	LEU	A	5	L	-	HH2	TRP	V	48
R	-	C	LEU	A	5	L	-	HZ3	TRP	V	48
R	-	CB	LEU	A	5	L	-	HH2	TRP	V	48
R	-	CB	LEU	A	5	L	-	HZ3	TRP	V	48
R	-	O	LEU	A	5	L	-	CE3	TRP	V	48
R	-	O	LEU	A	5	L	-	CH2	TRP	V	48
R	-	O	LEU	A	5	L	-	CZ2	TRP	V	48
R	-	O	LEU	A	5	L	-	CZ3	TRP	V	48
R	-	O	LEU	A	5	L	-	HE3	TRP	V	48
R	-	O	LEU	A	5	L	-	HH2	TRP	V	48
R	-	O	LEU	A	5	L	-	HZ3	TRP	V	48
R	-	CD1	LEU	A	5	L	S	HB2	LEU	V	83
R	-	CD1	LEU	A	5	L	S	HD11	LEU	V	83
R	-	CD2	LEU	A	5	L	-	HZ3	TRP	V	48
R	H	N	LEU	A	6	L	-	CH2	TRP	V	48
R	H	N	LEU	A	6	L	-	HH2	TRP	V	48
R	H	N	LEU	A	6	L	-	HZ3	TRP	V	48
R	H	CA	LEU	A	6	L	-	CH2	TRP	V	48
R	H	CA	LEU	A	6	L	-	HH2	TRP	V	48
R	H	C	LEU	A	6	L	-	HH2	TRP	V	48
R	H	CB	LEU	A	6	L	-	HH2	TRP	V	48
R	H	CG	LEU	A	6	L	-	HH2	TRP	V	48
R	H	CG	LEU	A	6	L	-	HB3	LEU	V	54
R	H	CG	LEU	A	6	L	-	HD11	LEU	V	54
R	H	CD1	LEU	A	6	L	-	CD1	LEU	V	54
R	H	CD1	LEU	A	6	L	-	HB3	LEU	V	54
R	H	CD1	LEU	A	6	L	-	HD11	LEU	V	54
R	H	CD1	LEU	A	6	L	-	HD13	LEU	V	54
R	H	CD2	LEU	A	6	L	H	O	SER	V	52
R	H	CD2	LEU	A	6	L	-	HA	ALA	V	53
R	H	CD2	LEU	A	6	L	-	N	LEU	V	54
R	H	CD2	LEU	A	6	L	-	CA	LEU	V	54
R	H	CD2	LEU	A	6	L	-	CB	LEU	V	54
R	H	CD2	LEU	A	6	L	-	O	LEU	V	54
R	H	CD2	LEU	A	6	L	-	H	LEU	V	54
R	H	CD2	LEU	A	6	L	-	HB2	LEU	V	54
R	H	CD2	LEU	A	6	L	-	HB3	LEU	V	54
R	H	CD2	LEU	A	6	L	-	HD11	LEU	V	54
R	H	CD2	LEU	A	6	L	-	HG21	VAL	V	56
R	H	N	TRP	A	7	L	S	HE1	TYR	V	91
R	H	N	TRP	A	7	L	S	HH	TYR	V	91
R	H	CA	TRP	A	7	L	-	HG21	THR	V	60
R	H	CA	TRP	A	7	L	S	OH	TYR	V	91
R	H	CA	TRP	A	7	L	S	HE1	TYR	V	91
R	H	CA	TRP	A	7	L	S	HH	TYR	V	91
R	H	C	TRP	A	7	L	S	OH	TYR	V	91
R	H	C	TRP	A	7	L	S	HH	TYR	V	91
R	H	CB	TRP	A	7	L	-	HG21	THR	V	60
R	H	CB	TRP	A	7	L	S	CE1	TYR	V	91
R	H	CB	TRP	A	7	L	S	OH	TYR	V	91
R	H	CB	TRP	A	7	L	S	CZ	TYR	V	91
R	H	CB	TRP	A	7	L	S	HE1	TYR	V	91
R	H	CB	TRP	A	7	L	S	HH	TYR	V	91
R	H	O	TRP	A	7	L	-	HG21	THR	V	60
R	H	O	TRP	A	7	L	S	HH	TYR	V	91
R	H	CG	TRP	A	7	L	S	CG1	VAL	V	79
R	H	CG	TRP	A	7	L	S	HG11	VAL	V	79
R	H	CG	TRP	A	7	L	S	HG13	VAL	V	79
R	H	CG	TRP	A	7	L	S	CE1	TYR	V	91
R	H	CG	TRP	A	7	L	S	HE1	TYR	V	91
R	H	CG	TRP	A	7	L	S	HH	TYR	V	91
R	H	CD1	TRP	A	7	L	S	CG1	VAL	V	79
R	H	CD1	TRP	A	7	L	S	HG11	VAL	V	79
R	H	CD1	TRP	A	7	L	S	HG12	VAL	V	79
R	H	CD1	TRP	A	7	L	S	HG13	VAL	V	79
R	H	CD1	TRP	A	7	L	S	CE1	TYR	V	91
R	H	CD1	TRP	A	7	L	S	HD1	TYR	V	91
R	H	CD1	TRP	A	7	L	S	HE1	TYR	V	91
R	H	CD2	TRP	A	7	L	-	CG2	THR	V	60
R	H	CD2	TRP	A	7	L	-	HG21	THR	V	60
R	H	CD2	TRP	A	7	L	-	HG22	THR	V	60
R	H	CD2	TRP	A	7	L	-	HG23	THR	V	60
R	H	CD2	TRP	A	7	L	S	CG1	VAL	V	79
R	H	CD2	TRP	A	7	L	S	HG13	VAL	V	79
R	H	CD2	TRP	A	7	L	S	HE1	TYR	V	91
R	H	CE2	TRP	A	7	L	S	CG1	VAL	V	79
R	H	CE2	TRP	A	7	L	S	HG11	VAL	V	79
R	H	CE2	TRP	A	7	L	S	HG12	VAL	V	79
R	H	CE2	TRP	A	7	L	S	HG13	VAL	V	79
R	H	CE2	TRP	A	7	L	S	HG23	VAL	V	79
R	H	CE3	TRP	A	7	L	-	CG2	THR	V	60
R	H	CE3	TRP	A	7	L	-	HG21	THR	V	60
R	H	CE3	TRP	A	7	L	-	HG22	THR	V	60
R	H	CE3	TRP	A	7	L	-	HG23	THR	V	60
R	H	CE3	TRP	A	7	L	S	HG13	VAL	V	79
R	H	NE1	TRP	A	7	L	S	CG1	VAL	V	79
R	H	NE1	TRP	A	7	L	S	HG11	VAL	V	79
R	H	NE1	TRP	A	7	L	S	HG12	VAL	V	79
R	H	NE1	TRP	A	7	L	S	HG13	VAL	V	79
R	H	NE1	TRP	A	7	L	S	HE1	TYR	V	91
R	H	CH2	TRP	A	7	L	-	HG22	THR	V	60
R	H	CH2	TRP	A	7	L	-	HG23	THR	V	60
R	H	CH2	TRP	A	7	L	S	SD	MET	V	63
R	H	CH2	TRP	A	7	L	S	HE1	MET	V	63
R	H	CH2	TRP	A	7	L	S	HG13	VAL	V	79
R	H	CZ2	TRP	A	7	L	S	CG1	VAL	V	79
R	H	CZ2	TRP	A	7	L	S	HG12	VAL	V	79
R	H	CZ2	TRP	A	7	L	S	HG13	VAL	V	79
R	H	CZ3	TRP	A	7	L	-	CG2	THR	V	60
R	H	CZ3	TRP	A	7	L	-	HA	THR	V	60
R	H	CZ3	TRP	A	7	L	-	HG21	THR	V	60
R	H	CZ3	TRP	A	7	L	-	HG22	THR	V	60
R	H	CZ3	TRP	A	7	L	-	HG23	THR	V	60
R	H	CZ3	TRP	A	7	L	S	SD	MET	V	63
R	H	N	LEU	A	8	L	S	OH	TYR	V	91
R	H	N	LEU	A	8	L	S	HH	TYR	V	91
R	H	CA	LEU	A	8	L	S	HH	TYR	V	91
R	H	C	LEU	A	8	L	-	HE3	TRP	V	48
R	H	CB	LEU	A	8	L	-	HE3	TRP	V	48
R	H	CB	LEU	A	8	L	S	HH	TYR	V	91
R	H	CG	LEU	A	8	L	S	OH	TYR	V	91
R	H	CG	LEU	A	8	L	S	HH	TYR	V	91
R	H	N	GLY	A	9	L	-	CG	TRP	V	48
R	H	N	GLY	A	9	L	-	CD2	TRP	V	48
R	H	N	GLY	A	9	L	-	CE2	TRP	V	48
R	H	N	GLY	A	9	L	-	CE3	TRP	V	48
R	H	N	GLY	A	9	L	-	CZ3	TRP	V	48
R	H	N	GLY	A	9	L	-	HB2	TRP	V	48
R	H	N	GLY	A	9	L	-	HE3	TRP	V	48
R	H	CA	GLY	A	9	L	-	CB	TRP	V	48
R	H	CA	GLY	A	9	L	-	CG	TRP	V	48
R	H	CA	GLY	A	9	L	-	CD1	TRP	V	48
R	H	CA	GLY	A	9	L	-	CD2	TRP	V	48
R	H	CA	GLY	A	9	L	-	CE2	TRP	V	48
R	H	CA	GLY	A	9	L	-	CE3	TRP	V	48
R	H	CA	GLY	A	9	L	-	NE1	TRP	V	48
R	H	CA	GLY	A	9	L	-	HB2	TRP	V	48
R	H	CA	GLY	A	9	L	-	HE3	TRP	V	48
R	H	CB	LEU	A	10	L	-	OG1	THR	V	60
R	H	CD1	LEU	A	10	L	-	O	VAL	V	56
R	H	CD1	LEU	A	10	L	-	H	VAL	V	56
R	H	CD1	LEU	A	10	L	-	HB	VAL	V	56
R	H	CD1	LEU	A	12	L	-	O	PHE	V	46
R	H	CD1	LEU	A	12	L	-	H	TRP	V	48
R	H	CD1	LEU	A	12	L	-	HB2	TRP	V	48
R	H	CD1	LEU	A	12	L	-	HB3	TRP	V	48
R	H	CD2	LEU	A	12	L	-	H	TRP	V	48
R	H	CG	LEU	A	13	L	H	CE	LYS	V	50
R	H	CG	LEU	A	13	L	H	HG3	LYS	V	50
R	H	CG	LEU	A	13	L	H	HE2	LYS	V	50
R	H	CG	LEU	A	13	L	H	HE3	LYS	V	50
R	H	CD1	LEU	A	13	L	H	HG3	LYS	V	50
R	H	CD1	LEU	A	13	L	H	HE3	LYS	V	50
R	H	CD1	LEU	A	13	L	-	HB3	ALA	V	53
R	H	CD2	LEU	A	13	L	H	CE	LYS	V	50
R	H	CD2	LEU	A	13	L	H	HE2	LYS	V	50
R	H	CD2	LEU	A	13	L	H	HE3	LYS	V	50
R	H	CD2	LEU	A	13	L	H	HZ1	LYS	V	50
R	H	CD2	LEU	A	16	L	H	HZ1	LYS	V	50
R	H	CD2	LEU	A	16	L	H	HZ2	LYS	V	50

- 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