IID

A1L453_Q8IUA0.1 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	HIS	A	100	L	H	LEU	V	29
R	-	HIS	A	103	L	H	LEU	V	29
R	H	ILE	A	110	L	H	ARG	V	21
R	S	TYR	A	114	L	-	HIS	V	14
R	-	LEU	A	120	L	-	HIS	V	14
R	-	ARG	A	121	L	-	LEU	V	13
R	-	ARG	A	121	L	-	PRO	V	16
R	-	VAL	A	122	L	-	LEU	V	13
R	-	ALA	A	123	L	-	PHE	V	11
R	-	ALA	A	123	L	-	PRO	V	12
R	-	ALA	A	123	L	-	LEU	V	13
R	-	GLY	A	124	L	-	PHE	V	11
R	-	ASN	A	125	L	-	GLY	V	8
R	-	ASN	A	125	L	-	GLY	V	9
R	-	THR	A	127	L	-	PHE	V	11
R	S	GLN	A	128	L	-	PHE	V	11
R	S	TRP	A	129	L	-	PHE	V	11
R	-	PRO	A	146	L	H	THR	V	36
R	-	ILE	A	147	L	H	LEU	V	33
R	H	LEU	A	18	L	-	THR	V	209
R	H	LEU	A	216	L	-	GLU	V	74
R	H	LEU	A	216	L	-	TYR	V	75
R	H	LEU	A	22	L	-	THR	V	209
R	-	HIS	A	220	L	-	ILE	V	44
R	-	HIS	A	220	L	-	PRO	V	48
R	-	MET	A	221	L	-	PRO	V	48
R	-	SER	A	222	L	H	LEU	V	40
R	-	SER	A	222	L	-	ILE	V	44
R	-	TYR	A	223	L	H	LEU	V	40
R	-	TYR	A	223	L	H	THR	V	41
R	-	TYR	A	223	L	-	ILE	V	44
R	S	TYR	A	79	L	H	ASN	V	22
R	-	ALA	A	80	L	-	THR	V	17
R	-	ALA	A	80	L	-	SER	V	19
R	-	ALA	A	80	L	H	ASN	V	22
R	-	GLY	A	81	L	-	PRO	V	16
R	-	GLY	A	81	L	-	THR	V	17
R	S	LEU	A	82	L	-	PRO	V	16
R	S	LEU	A	82	L	-	THR	V	17
R	S	LEU	A	82	L	-	PHE	V	18
R	S	LEU	A	82	L	-	SER	V	19
R	S	LEU	A	82	L	H	ASN	V	22
R	S	VAL	A	84	L	H	ASN	V	22

- 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_Q8IUA0.1 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	H	CD2	LEU	A	18	L	-	CB	THR	V	209
R	H	CD2	LEU	A	18	L	-	OG1	THR	V	209
R	H	CD2	LEU	A	18	L	-	HB	THR	V	209
R	H	CD2	LEU	A	18	L	-	HG1	THR	V	209
R	H	CD2	LEU	A	18	L	-	HG21	THR	V	209
R	H	CD1	LEU	A	22	L	-	HB	THR	V	209
R	S	CA	TYR	A	79	L	H	HD22	ASN	V	22
R	S	C	TYR	A	79	L	H	ND2	ASN	V	22
R	S	C	TYR	A	79	L	H	HD22	ASN	V	22
R	S	CB	TYR	A	79	L	H	HD22	ASN	V	22
R	S	O	TYR	A	79	L	H	CG	ASN	V	22
R	S	O	TYR	A	79	L	H	ND2	ASN	V	22
R	S	O	TYR	A	79	L	H	OD1	ASN	V	22
R	S	O	TYR	A	79	L	H	HD21	ASN	V	22
R	S	O	TYR	A	79	L	H	HD22	ASN	V	22
R	S	CG	TYR	A	79	L	H	OD1	ASN	V	22
R	S	CD1	TYR	A	79	L	H	CG	ASN	V	22
R	S	CD1	TYR	A	79	L	H	OD1	ASN	V	22
R	S	CD1	TYR	A	79	L	H	HD22	ASN	V	22
R	S	CE1	TYR	A	79	L	H	OD1	ASN	V	22
R	-	N	ALA	A	80	L	H	HD22	ASN	V	22
R	-	CA	ALA	A	80	L	H	HD22	ASN	V	22
R	-	C	ALA	A	80	L	-	HG1	THR	V	17
R	-	C	ALA	A	80	L	H	HD22	ASN	V	22
R	-	CB	ALA	A	80	L	-	HB2	SER	V	19
R	-	CB	ALA	A	80	L	-	HG	SER	V	19
R	-	CB	ALA	A	80	L	H	HD22	ASN	V	22
R	-	O	ALA	A	80	L	-	OG1	THR	V	17
R	-	O	ALA	A	80	L	-	HG1	THR	V	17
R	-	O	ALA	A	80	L	-	HB2	SER	V	19
R	-	O	ALA	A	80	L	H	HD22	ASN	V	22
R	-	CA	GLY	A	81	L	-	OG1	THR	V	17
R	-	CA	GLY	A	81	L	-	HG1	THR	V	17
R	-	C	GLY	A	81	L	-	HA	PRO	V	16
R	-	C	GLY	A	81	L	-	HG1	THR	V	17
R	-	O	GLY	A	81	L	-	CA	PRO	V	16
R	-	O	GLY	A	81	L	-	HA	PRO	V	16
R	-	O	GLY	A	81	L	-	H	THR	V	17
R	S	N	LEU	A	82	L	H	HD21	ASN	V	22
R	S	N	LEU	A	82	L	H	HD22	ASN	V	22
R	S	CA	LEU	A	82	L	H	HD21	ASN	V	22
R	S	CB	LEU	A	82	L	-	O	THR	V	17
R	S	CB	LEU	A	82	L	H	ND2	ASN	V	22
R	S	CB	LEU	A	82	L	H	HD21	ASN	V	22
R	S	CB	LEU	A	82	L	H	HD22	ASN	V	22
R	S	CG	LEU	A	82	L	-	HB2	PRO	V	16
R	S	CG	LEU	A	82	L	-	C	THR	V	17
R	S	CG	LEU	A	82	L	-	O	THR	V	17
R	S	CG	LEU	A	82	L	-	HG1	THR	V	17
R	S	CG	LEU	A	82	L	-	HA	PHE	V	18
R	S	CG	LEU	A	82	L	-	N	SER	V	19
R	S	CG	LEU	A	82	L	-	H	SER	V	19
R	S	CG	LEU	A	82	L	-	HB3	SER	V	19
R	S	CG	LEU	A	82	L	H	ND2	ASN	V	22
R	S	CG	LEU	A	82	L	H	HD21	ASN	V	22
R	S	CG	LEU	A	82	L	H	HD22	ASN	V	22
R	S	CD1	LEU	A	82	L	-	C	THR	V	17
R	S	CD1	LEU	A	82	L	-	O	THR	V	17
R	S	CD1	LEU	A	82	L	-	CA	PHE	V	18
R	S	CD1	LEU	A	82	L	-	C	PHE	V	18
R	S	CD1	LEU	A	82	L	-	HA	PHE	V	18
R	S	CD1	LEU	A	82	L	-	N	SER	V	19
R	S	CD1	LEU	A	82	L	-	CA	SER	V	19
R	S	CD1	LEU	A	82	L	-	CB	SER	V	19
R	S	CD1	LEU	A	82	L	-	O	SER	V	19
R	S	CD1	LEU	A	82	L	-	H	SER	V	19
R	S	CD1	LEU	A	82	L	-	HB2	SER	V	19
R	S	CD1	LEU	A	82	L	-	HB3	SER	V	19
R	S	CD1	LEU	A	82	L	H	CB	ASN	V	22
R	S	CD1	LEU	A	82	L	H	ND2	ASN	V	22
R	S	CD1	LEU	A	82	L	H	HB2	ASN	V	22
R	S	CD1	LEU	A	82	L	H	HD21	ASN	V	22
R	S	CD1	LEU	A	82	L	H	HD22	ASN	V	22
R	S	CD2	LEU	A	82	L	-	CA	PRO	V	16
R	S	CD2	LEU	A	82	L	-	C	PRO	V	16
R	S	CD2	LEU	A	82	L	-	CB	PRO	V	16
R	S	CD2	LEU	A	82	L	-	O	PRO	V	16
R	S	CD2	LEU	A	82	L	-	HA	PRO	V	16
R	S	CD2	LEU	A	82	L	-	HB2	PRO	V	16
R	S	CD2	LEU	A	82	L	-	HB3	PRO	V	16
R	S	CD2	LEU	A	82	L	-	N	THR	V	17
R	S	CD2	LEU	A	82	L	-	CA	THR	V	17
R	S	CD2	LEU	A	82	L	-	C	THR	V	17
R	S	CD2	LEU	A	82	L	-	O	THR	V	17
R	S	CD2	LEU	A	82	L	-	H	THR	V	17
R	S	CD2	LEU	A	82	L	-	HG1	THR	V	17
R	S	CD2	LEU	A	82	L	-	N	PHE	V	18
R	S	CD2	LEU	A	82	L	-	CA	PHE	V	18
R	S	CD2	LEU	A	82	L	-	HA	PHE	V	18
R	S	CD2	LEU	A	82	L	-	H	SER	V	19
R	S	CG1	VAL	A	84	L	H	HB3	ASN	V	22
R	H	CB	HIS	A	100	L	H	HD23	LEU	V	29
R	H	O	HIS	A	100	L	H	HD23	LEU	V	29
R	H	CD2	HIS	A	100	L	H	HD23	LEU	V	29
R	-	ND1	HIS	A	103	L	H	HD12	LEU	V	29
R	H	CD1	ILE	A	110	L	H	HH12	ARG	V	21
R	S	OH	TYR	A	114	L	-	CD2	HIS	V	14
R	S	OH	TYR	A	114	L	-	HD2	HIS	V	14
R	-	O	LEU	A	120	L	-	O	HIS	V	14
R	-	C	ARG	A	121	L	-	CG	LEU	V	13
R	-	C	ARG	A	121	L	-	HA	LEU	V	13
R	-	C	ARG	A	121	L	-	HG	LEU	V	13
R	-	C	ARG	A	121	L	-	HD21	LEU	V	13
R	-	O	ARG	A	121	L	-	CA	LEU	V	13
R	-	O	ARG	A	121	L	-	C	LEU	V	13
R	-	O	ARG	A	121	L	-	CB	LEU	V	13
R	-	O	ARG	A	121	L	-	CG	LEU	V	13
R	-	O	ARG	A	121	L	-	CD2	LEU	V	13
R	-	O	ARG	A	121	L	-	HA	LEU	V	13
R	-	O	ARG	A	121	L	-	HB3	LEU	V	13
R	-	O	ARG	A	121	L	-	HG	LEU	V	13
R	-	O	ARG	A	121	L	-	HD21	LEU	V	13
R	-	O	ARG	A	121	L	-	HD23	LEU	V	13
R	-	CG	ARG	A	121	L	-	HD2	PRO	V	16
R	-	N	VAL	A	122	L	-	HA	LEU	V	13
R	-	N	VAL	A	122	L	-	HG	LEU	V	13
R	-	CA	VAL	A	122	L	-	CG	LEU	V	13
R	-	CA	VAL	A	122	L	-	HA	LEU	V	13
R	-	CA	VAL	A	122	L	-	HG	LEU	V	13
R	-	C	VAL	A	122	L	-	HG	LEU	V	13
R	-	CB	VAL	A	122	L	-	HG	LEU	V	13
R	-	CB	VAL	A	122	L	-	HD12	LEU	V	13
R	-	CB	VAL	A	122	L	-	HD23	LEU	V	13
R	-	CG1	VAL	A	122	L	-	CD1	LEU	V	13
R	-	CG1	VAL	A	122	L	-	HG	LEU	V	13
R	-	CG1	VAL	A	122	L	-	HD11	LEU	V	13
R	-	CG1	VAL	A	122	L	-	HD12	LEU	V	13
R	-	CG2	VAL	A	122	L	-	CG	LEU	V	13
R	-	CG2	VAL	A	122	L	-	CD2	LEU	V	13
R	-	CG2	VAL	A	122	L	-	HG	LEU	V	13
R	-	CG2	VAL	A	122	L	-	HD12	LEU	V	13
R	-	CG2	VAL	A	122	L	-	HD21	LEU	V	13
R	-	CG2	VAL	A	122	L	-	HD23	LEU	V	13
R	-	N	ALA	A	123	L	-	HA	LEU	V	13
R	-	N	ALA	A	123	L	-	HG	LEU	V	13
R	-	CA	ALA	A	123	L	-	O	PHE	V	11
R	-	CA	ALA	A	123	L	-	HB2	PHE	V	11
R	-	CA	ALA	A	123	L	-	HB3	PHE	V	11
R	-	C	ALA	A	123	L	-	O	PHE	V	11
R	-	C	ALA	A	123	L	-	HB2	PHE	V	11
R	-	CB	ALA	A	123	L	-	CA	PHE	V	11
R	-	CB	ALA	A	123	L	-	C	PHE	V	11
R	-	CB	ALA	A	123	L	-	CB	PHE	V	11
R	-	CB	ALA	A	123	L	-	O	PHE	V	11
R	-	CB	ALA	A	123	L	-	HB2	PHE	V	11
R	-	CB	ALA	A	123	L	-	HB3	PHE	V	11
R	-	CB	ALA	A	123	L	-	N	PRO	V	12
R	-	CB	ALA	A	123	L	-	O	PRO	V	12
R	-	O	ALA	A	123	L	-	O	PHE	V	11
R	-	O	GLY	A	124	L	-	H	PHE	V	11
R	-	O	GLY	A	124	L	-	HB2	PHE	V	11
R	-	O	GLY	A	124	L	-	HD2	PHE	V	11
R	-	CA	ASN	A	125	L	-	O	GLY	V	9
R	-	C	ASN	A	125	L	-	O	GLY	V	9
R	-	C	ASN	A	125	L	-	H	GLY	V	9
R	-	CB	ASN	A	125	L	-	HA2	GLY	V	8
R	-	O	ASN	A	125	L	-	HA2	GLY	V	8
R	-	O	ASN	A	125	L	-	N	GLY	V	9
R	-	O	ASN	A	125	L	-	O	GLY	V	9
R	-	O	ASN	A	125	L	-	H	GLY	V	9
R	-	C	THR	A	127	L	-	CD2	PHE	V	11
R	-	C	THR	A	127	L	-	CE2	PHE	V	11
R	-	C	THR	A	127	L	-	HD2	PHE	V	11
R	-	C	THR	A	127	L	-	HE2	PHE	V	11
R	-	CB	THR	A	127	L	-	HB2	PHE	V	11
R	-	O	THR	A	127	L	-	CG	PHE	V	11
R	-	O	THR	A	127	L	-	CD2	PHE	V	11
R	-	O	THR	A	127	L	-	CE2	PHE	V	11
R	-	O	THR	A	127	L	-	CZ	PHE	V	11
R	-	O	THR	A	127	L	-	HB2	PHE	V	11
R	-	O	THR	A	127	L	-	HD2	PHE	V	11
R	-	O	THR	A	127	L	-	HE2	PHE	V	11
R	-	CG2	THR	A	127	L	-	HB2	PHE	V	11
R	-	CG2	THR	A	127	L	-	HB3	PHE	V	11
R	S	CA	GLN	A	128	L	-	CE2	PHE	V	11
R	S	CA	GLN	A	128	L	-	HE2	PHE	V	11
R	S	N	TRP	A	129	L	-	CZ	PHE	V	11
R	S	N	TRP	A	129	L	-	HZ	PHE	V	11
R	S	CB	TRP	A	129	L	-	CE1	PHE	V	11
R	S	CB	TRP	A	129	L	-	HE1	PHE	V	11
R	-	CB	PRO	A	146	L	H	HB	THR	V	36
R	-	CB	PRO	A	146	L	H	HG21	THR	V	36
R	-	CG	PRO	A	146	L	H	HB	THR	V	36
R	-	CG	PRO	A	146	L	H	HG21	THR	V	36
R	-	CG1	ILE	A	147	L	H	CD1	LEU	V	33
R	-	CG1	ILE	A	147	L	H	HD11	LEU	V	33
R	-	CG1	ILE	A	147	L	H	HD12	LEU	V	33
R	-	CG1	ILE	A	147	L	H	HD13	LEU	V	33
R	-	CD1	ILE	A	147	L	H	CD1	LEU	V	33
R	-	CD1	ILE	A	147	L	H	HD11	LEU	V	33
R	-	CD1	ILE	A	147	L	H	HD12	LEU	V	33
R	-	CD1	ILE	A	147	L	H	HD13	LEU	V	33
R	-	CD1	ILE	A	147	L	H	HD22	LEU	V	33
R	-	CD1	ILE	A	147	L	H	HD23	LEU	V	33
R	H	CD1	LEU	A	216	L	-	OE2	GLU	V	74
R	H	CD1	LEU	A	216	L	-	HB3	GLU	V	74
R	H	CD1	LEU	A	216	L	-	CD1	TYR	V	75
R	H	CD1	LEU	A	216	L	-	CE1	TYR	V	75
R	H	CD1	LEU	A	216	L	-	HD1	TYR	V	75
R	H	CD1	LEU	A	216	L	-	HE1	TYR	V	75
R	-	CB	HIS	A	220	L	-	HD13	ILE	V	44
R	-	CG	HIS	A	220	L	-	CD1	ILE	V	44
R	-	CG	HIS	A	220	L	-	HG23	ILE	V	44
R	-	CG	HIS	A	220	L	-	HD11	ILE	V	44
R	-	CG	HIS	A	220	L	-	HD12	ILE	V	44
R	-	CG	HIS	A	220	L	-	HD13	ILE	V	44
R	-	CD2	HIS	A	220	L	-	CG2	ILE	V	44
R	-	CD2	HIS	A	220	L	-	CD1	ILE	V	44
R	-	CD2	HIS	A	220	L	-	HG22	ILE	V	44
R	-	CD2	HIS	A	220	L	-	HG23	ILE	V	44
R	-	CD2	HIS	A	220	L	-	HD11	ILE	V	44
R	-	CD2	HIS	A	220	L	-	HD12	ILE	V	44
R	-	CD2	HIS	A	220	L	-	HD13	ILE	V	44
R	-	CD2	HIS	A	220	L	-	HD3	PRO	V	48
R	-	ND1	HIS	A	220	L	-	CD1	ILE	V	44
R	-	ND1	HIS	A	220	L	-	HG12	ILE	V	44
R	-	ND1	HIS	A	220	L	-	HG23	ILE	V	44
R	-	ND1	HIS	A	220	L	-	HD11	ILE	V	44
R	-	ND1	HIS	A	220	L	-	HD12	ILE	V	44
R	-	ND1	HIS	A	220	L	-	HD13	ILE	V	44
R	-	CE1	HIS	A	220	L	-	CG1	ILE	V	44
R	-	CE1	HIS	A	220	L	-	CG2	ILE	V	44
R	-	CE1	HIS	A	220	L	-	CD1	ILE	V	44
R	-	CE1	HIS	A	220	L	-	HG12	ILE	V	44
R	-	CE1	HIS	A	220	L	-	HG22	ILE	V	44
R	-	CE1	HIS	A	220	L	-	HG23	ILE	V	44
R	-	CE1	HIS	A	220	L	-	HD11	ILE	V	44
R	-	CE1	HIS	A	220	L	-	HD12	ILE	V	44
R	-	CE1	HIS	A	220	L	-	HD13	ILE	V	44
R	-	NE2	HIS	A	220	L	-	CB	ILE	V	44
R	-	NE2	HIS	A	220	L	-	CG1	ILE	V	44
R	-	NE2	HIS	A	220	L	-	CG2	ILE	V	44
R	-	NE2	HIS	A	220	L	-	CD1	ILE	V	44
R	-	NE2	HIS	A	220	L	-	HG12	ILE	V	44
R	-	NE2	HIS	A	220	L	-	HG21	ILE	V	44
R	-	NE2	HIS	A	220	L	-	HG22	ILE	V	44
R	-	NE2	HIS	A	220	L	-	HG23	ILE	V	44
R	-	NE2	HIS	A	220	L	-	HD11	ILE	V	44
R	-	NE2	HIS	A	220	L	-	HD12	ILE	V	44
R	-	NE2	HIS	A	220	L	-	HD13	ILE	V	44
R	-	NE2	HIS	A	220	L	-	HG2	PRO	V	48
R	-	NE2	HIS	A	220	L	-	HD3	PRO	V	48
R	-	N	MET	A	221	L	-	HG3	PRO	V	48
R	-	CB	MET	A	221	L	-	HG3	PRO	V	48
R	-	CG	MET	A	221	L	-	CG	PRO	V	48
R	-	CG	MET	A	221	L	-	HG3	PRO	V	48
R	-	OG	SER	A	222	L	H	HD13	LEU	V	40
R	-	OG	SER	A	222	L	H	HD23	LEU	V	40
R	-	OG	SER	A	222	L	-	CD1	ILE	V	44
R	-	OG	SER	A	222	L	-	HD11	ILE	V	44
R	-	CG	TYR	A	223	L	H	HD21	LEU	V	40
R	-	CG	TYR	A	223	L	H	HD23	LEU	V	40
R	-	CD1	TYR	A	223	L	H	CD2	LEU	V	40
R	-	CD1	TYR	A	223	L	H	HD21	LEU	V	40
R	-	CD1	TYR	A	223	L	H	HD22	LEU	V	40
R	-	CD1	TYR	A	223	L	H	HD23	LEU	V	40
R	-	CE1	TYR	A	223	L	H	CG	LEU	V	40
R	-	CE1	TYR	A	223	L	H	CD2	LEU	V	40
R	-	CE1	TYR	A	223	L	H	HB3	LEU	V	40
R	-	CE1	TYR	A	223	L	H	HG	LEU	V	40
R	-	CE1	TYR	A	223	L	H	HD21	LEU	V	40
R	-	CE1	TYR	A	223	L	H	HD22	LEU	V	40
R	-	CE1	TYR	A	223	L	H	HD23	LEU	V	40
R	-	OH	TYR	A	223	L	H	CD2	LEU	V	40
R	-	OH	TYR	A	223	L	H	HB3	LEU	V	40
R	-	OH	TYR	A	223	L	H	HG	LEU	V	40
R	-	OH	TYR	A	223	L	H	HD21	LEU	V	40
R	-	OH	TYR	A	223	L	H	CG2	THR	V	41
R	-	OH	TYR	A	223	L	H	HG21	THR	V	41
R	-	OH	TYR	A	223	L	H	HG22	THR	V	41
R	-	OH	TYR	A	223	L	H	HG23	THR	V	41
R	-	OH	TYR	A	223	L	-	HD12	ILE	V	44
R	-	CZ	TYR	A	223	L	H	CD2	LEU	V	40
R	-	CZ	TYR	A	223	L	H	HG	LEU	V	40
R	-	CZ	TYR	A	223	L	H	HD21	LEU	V	40
R	-	CZ	TYR	A	223	L	H	HD23	LEU	V	40

- 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