IID

P17038_Q8NEK5.4 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	-	THR	A	100	L	-	GLN	V	483
R	-	ARG	A	102	L	-	GLN	V	483
R	-	TYR	A	104	L	-	ARG	V	475
R	-	TYR	A	104	L	-	LYS	V	484
R	-	TYR	A	104	L	-	ALA	V	485
R	-	LYS	A	105	L	-	LYS	V	484
R	-	ASN	A	106	L	-	LYS	V	484
R	-	CYS	A	107	L	-	LYS	V	484
R	-	LYS	A	115	L	-	ALA	V	515
R	-	LYS	A	115	L	-	THR	V	517
R	-	ASP	A	117	L	-	LYS	V	516
R	-	ASP	A	117	L	-	THR	V	517
R	H	LEU	A	15	L	-	TYR	V	449
R	H	LEU	A	15	L	H	LYS	V	461
R	H	GLU	A	16	L	-	TYR	V	449
R	H	GLU	A	16	L	H	LYS	V	461
R	H	GLU	A	16	L	H	LEU	V	464
R	H	GLU	A	17	L	-	ARG	V	452
R	H	GLN	A	19	L	H	LYS	V	461
R	H	ILE	A	23	L	-	GLU	V	372
R	H	ALA	A	24	L	-	GLU	V	372
R	H	ASN	A	27	L	-	ARG	V	363
R	H	ASN	A	27	L	-	GLU	V	372
R	H	ARG	A	30	L	-	ARG	V	363
R	H	ARG	A	38	L	H	ILE	V	358
R	H	ARG	A	38	L	-	HIS	V	359
R	H	ARG	A	38	L	-	THR	V	360
R	H	ARG	A	38	L	-	GLY	V	361
R	H	GLU	A	57	L	H	ILE	V	358
R	H	GLU	A	57	L	-	ARG	V	375
R	-	GLU	A	59	L	-	ARG	V	375
R	-	GLU	A	59	L	H	SER	V	379
R	H	ARG	A	67	L	H	ILE	V	437
R	H	ARG	A	67	L	H	ARG	V	441
R	-	GLU	A	70	L	-	PRO	V	448
R	-	MET	A	78	L	-	CYS	V	454
R	-	MET	A	78	L	-	LYS	V	456
R	-	CYS	A	79	L	-	LYS	V	456
R	-	PHE	A	805	L	-	LEU	V	118
R	-	SER	A	806	L	-	LEU	V	118
R	-	ASN	A	807	L	-	LEU	V	118
R	-	THR	A	83	L	-	ARG	V	488
R	-	GLN	A	84	L	-	ARG	V	488
R	-	GLN	A	84	L	H	HIS	V	491
R	-	ASP	A	85	L	H	GLU	V	466
R	-	ASP	A	85	L	-	ARG	V	488
R	-	ASP	A	85	L	H	SER	V	490
R	-	ASP	A	85	L	H	HIS	V	491
R	-	PHE	A	86	L	H	HIS	V	462
R	-	PHE	A	86	L	H	ILE	V	463
R	-	PHE	A	86	L	-	ARG	V	488
R	-	PHE	A	86	L	H	SER	V	490
R	-	TRP	A	87	L	H	GLU	V	466
R	-	TRP	A	87	L	H	LYS	V	469
R	-	TRP	A	87	L	-	TYR	V	477
R	-	TRP	A	87	L	-	ILE	V	487
R	-	TRP	A	87	L	-	ARG	V	488
R	-	TRP	A	87	L	H	LYS	V	489
R	-	TRP	A	87	L	H	SER	V	490
R	-	PRO	A	88	L	H	LYS	V	489
R	-	PRO	A	88	L	H	SER	V	490
R	-	GLN	A	90	L	H	LYS	V	489
R	-	ALA	A	99	L	-	GLU	V	478

- 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

P17038_Q8NEK5.4 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	CA	LEU	A	15	L	H	HZ3	LYS	V	461
R	H	C	LEU	A	15	L	H	NZ	LYS	V	461
R	H	C	LEU	A	15	L	H	HZ1	LYS	V	461
R	H	C	LEU	A	15	L	H	HZ3	LYS	V	461
R	H	CB	LEU	A	15	L	H	HZ3	LYS	V	461
R	H	O	LEU	A	15	L	H	HZ1	LYS	V	461
R	H	O	LEU	A	15	L	H	HZ3	LYS	V	461
R	H	CG	LEU	A	15	L	H	HD2	LYS	V	461
R	H	CG	LEU	A	15	L	H	HZ3	LYS	V	461
R	H	CD2	LEU	A	15	L	-	HE1	TYR	V	449
R	H	CD2	LEU	A	15	L	H	HD2	LYS	V	461
R	H	CD2	LEU	A	15	L	H	HZ3	LYS	V	461
R	H	N	GLU	A	16	L	H	NZ	LYS	V	461
R	H	N	GLU	A	16	L	H	HZ1	LYS	V	461
R	H	N	GLU	A	16	L	H	HZ3	LYS	V	461
R	H	CA	GLU	A	16	L	H	NZ	LYS	V	461
R	H	CA	GLU	A	16	L	H	HE3	LYS	V	461
R	H	CA	GLU	A	16	L	H	HZ1	LYS	V	461
R	H	CA	GLU	A	16	L	H	HZ2	LYS	V	461
R	H	CA	GLU	A	16	L	H	HZ3	LYS	V	461
R	H	C	GLU	A	16	L	H	HZ1	LYS	V	461
R	H	CB	GLU	A	16	L	H	CE	LYS	V	461
R	H	CB	GLU	A	16	L	H	NZ	LYS	V	461
R	H	CB	GLU	A	16	L	H	HE3	LYS	V	461
R	H	CB	GLU	A	16	L	H	HZ1	LYS	V	461
R	H	CB	GLU	A	16	L	H	HZ3	LYS	V	461
R	H	O	GLU	A	16	L	H	HZ1	LYS	V	461
R	H	CG	GLU	A	16	L	H	CD	LYS	V	461
R	H	CG	GLU	A	16	L	H	CE	LYS	V	461
R	H	CG	GLU	A	16	L	H	NZ	LYS	V	461
R	H	CG	GLU	A	16	L	H	HG3	LYS	V	461
R	H	CG	GLU	A	16	L	H	HD2	LYS	V	461
R	H	CG	GLU	A	16	L	H	HE2	LYS	V	461
R	H	CG	GLU	A	16	L	H	HE3	LYS	V	461
R	H	CG	GLU	A	16	L	H	HZ1	LYS	V	461
R	H	CG	GLU	A	16	L	H	HZ2	LYS	V	461
R	H	CG	GLU	A	16	L	H	HZ3	LYS	V	461
R	H	CD	GLU	A	16	L	-	HD1	TYR	V	449
R	H	CD	GLU	A	16	L	-	HE1	TYR	V	449
R	H	CD	GLU	A	16	L	H	CE	LYS	V	461
R	H	CD	GLU	A	16	L	H	NZ	LYS	V	461
R	H	CD	GLU	A	16	L	H	HG3	LYS	V	461
R	H	CD	GLU	A	16	L	H	HD2	LYS	V	461
R	H	CD	GLU	A	16	L	H	HE3	LYS	V	461
R	H	CD	GLU	A	16	L	H	HZ1	LYS	V	461
R	H	CD	GLU	A	16	L	H	HZ3	LYS	V	461
R	H	OE1	GLU	A	16	L	-	CD1	TYR	V	449
R	H	OE1	GLU	A	16	L	-	CE1	TYR	V	449
R	H	OE1	GLU	A	16	L	-	HD1	TYR	V	449
R	H	OE1	GLU	A	16	L	-	HE1	TYR	V	449
R	H	OE1	GLU	A	16	L	H	CG	LYS	V	461
R	H	OE1	GLU	A	16	L	H	CD	LYS	V	461
R	H	OE1	GLU	A	16	L	H	CE	LYS	V	461
R	H	OE1	GLU	A	16	L	H	HG3	LYS	V	461
R	H	OE1	GLU	A	16	L	H	HD2	LYS	V	461
R	H	OE1	GLU	A	16	L	H	HE3	LYS	V	461
R	H	OE1	GLU	A	16	L	H	HZ3	LYS	V	461
R	H	OE1	GLU	A	16	L	H	HD21	LEU	V	464
R	H	OE2	GLU	A	16	L	H	HE3	LYS	V	461
R	H	CD	GLU	A	17	L	-	HH22	ARG	V	452
R	H	OE1	GLU	A	17	L	-	NH2	ARG	V	452
R	H	OE1	GLU	A	17	L	-	HH12	ARG	V	452
R	H	OE1	GLU	A	17	L	-	HH22	ARG	V	452
R	H	CD	GLN	A	19	L	H	NZ	LYS	V	461
R	H	CD	GLN	A	19	L	H	HZ1	LYS	V	461
R	H	CD	GLN	A	19	L	H	HZ2	LYS	V	461
R	H	CD	GLN	A	19	L	H	HZ3	LYS	V	461
R	H	NE2	GLN	A	19	L	H	HZ2	LYS	V	461
R	H	OE1	GLN	A	19	L	H	NZ	LYS	V	461
R	H	OE1	GLN	A	19	L	H	HZ1	LYS	V	461
R	H	OE1	GLN	A	19	L	H	HZ2	LYS	V	461
R	H	OE1	GLN	A	19	L	H	HZ3	LYS	V	461
R	H	C	ILE	A	23	L	-	OE1	GLU	V	372
R	H	O	ILE	A	23	L	-	OE1	GLU	V	372
R	H	CG2	ILE	A	23	L	-	CG	GLU	V	372
R	H	CG2	ILE	A	23	L	-	CD	GLU	V	372
R	H	CG2	ILE	A	23	L	-	OE1	GLU	V	372
R	H	CG2	ILE	A	23	L	-	OE2	GLU	V	372
R	H	CG2	ILE	A	23	L	-	HG3	GLU	V	372
R	H	N	ALA	A	24	L	-	OE1	GLU	V	372
R	H	CA	ALA	A	24	L	-	OE1	GLU	V	372
R	H	CB	ASN	A	27	L	-	HH12	ARG	V	363
R	H	CG	ASN	A	27	L	-	HH12	ARG	V	363
R	H	CG	ASN	A	27	L	-	OE2	GLU	V	372
R	H	ND2	ASN	A	27	L	-	HH12	ARG	V	363
R	H	ND2	ASN	A	27	L	-	CD	GLU	V	372
R	H	ND2	ASN	A	27	L	-	OE1	GLU	V	372
R	H	ND2	ASN	A	27	L	-	OE2	GLU	V	372
R	H	OD1	ASN	A	27	L	-	HH12	ARG	V	363
R	H	OD1	ASN	A	27	L	-	OE2	GLU	V	372
R	H	CB	ARG	A	30	L	-	HH22	ARG	V	363
R	H	CD	ARG	A	30	L	-	HH22	ARG	V	363
R	H	NE	ARG	A	38	L	-	O	HIS	V	359
R	H	NH1	ARG	A	38	L	-	O	HIS	V	359
R	H	NH1	ARG	A	38	L	-	HA2	GLY	V	361
R	H	NH2	ARG	A	38	L	H	C	ILE	V	358
R	H	NH2	ARG	A	38	L	H	O	ILE	V	358
R	H	NH2	ARG	A	38	L	-	CA	HIS	V	359
R	H	NH2	ARG	A	38	L	-	C	HIS	V	359
R	H	NH2	ARG	A	38	L	-	O	HIS	V	359
R	H	NH2	ARG	A	38	L	-	HA	HIS	V	359
R	H	NH2	ARG	A	38	L	-	N	THR	V	360
R	H	NH2	ARG	A	38	L	-	C	THR	V	360
R	H	NH2	ARG	A	38	L	-	N	GLY	V	361
R	H	NH2	ARG	A	38	L	-	CA	GLY	V	361
R	H	NH2	ARG	A	38	L	-	H	GLY	V	361
R	H	NH2	ARG	A	38	L	-	HA2	GLY	V	361
R	H	NH2	ARG	A	38	L	-	HA3	GLY	V	361
R	H	CZ	ARG	A	38	L	-	C	HIS	V	359
R	H	CZ	ARG	A	38	L	-	O	HIS	V	359
R	H	CZ	ARG	A	38	L	-	HA	HIS	V	359
R	H	CA	GLU	A	57	L	H	HG22	ILE	V	358
R	H	C	GLU	A	57	L	-	HH12	ARG	V	375
R	H	CB	GLU	A	57	L	H	HG22	ILE	V	358
R	H	CB	GLU	A	57	L	H	HG23	ILE	V	358
R	H	O	GLU	A	57	L	H	HG22	ILE	V	358
R	H	O	GLU	A	57	L	-	NH1	ARG	V	375
R	H	O	GLU	A	57	L	-	HH11	ARG	V	375
R	H	O	GLU	A	57	L	-	HH12	ARG	V	375
R	H	CG	GLU	A	57	L	H	HG21	ILE	V	358
R	H	CG	GLU	A	57	L	H	HG22	ILE	V	358
R	H	CD	GLU	A	57	L	H	CG2	ILE	V	358
R	H	CD	GLU	A	57	L	H	HG21	ILE	V	358
R	H	CD	GLU	A	57	L	H	HG22	ILE	V	358
R	H	CD	GLU	A	57	L	H	HG23	ILE	V	358
R	H	OE1	GLU	A	57	L	H	HG21	ILE	V	358
R	H	OE2	GLU	A	57	L	H	CG2	ILE	V	358
R	H	OE2	GLU	A	57	L	H	HG21	ILE	V	358
R	H	OE2	GLU	A	57	L	H	HG22	ILE	V	358
R	H	OE2	GLU	A	57	L	H	HG23	ILE	V	358
R	-	CG	GLU	A	59	L	-	HH12	ARG	V	375
R	-	OE1	GLU	A	59	L	-	NH1	ARG	V	375
R	-	OE1	GLU	A	59	L	-	H	ARG	V	375
R	-	OE1	GLU	A	59	L	-	HB2	ARG	V	375
R	-	OE1	GLU	A	59	L	-	HB3	ARG	V	375
R	-	OE1	GLU	A	59	L	-	HH11	ARG	V	375
R	-	OE1	GLU	A	59	L	-	HH12	ARG	V	375
R	-	OE2	GLU	A	59	L	H	HG	SER	V	379
R	H	CD	ARG	A	67	L	H	HH21	ARG	V	441
R	H	NE	ARG	A	67	L	H	HG22	ILE	V	437
R	H	NE	ARG	A	67	L	H	HG23	ILE	V	437
R	H	NE	ARG	A	67	L	H	NH2	ARG	V	441
R	H	NE	ARG	A	67	L	H	HH21	ARG	V	441
R	H	NE	ARG	A	67	L	H	HH22	ARG	V	441
R	H	NH1	ARG	A	67	L	H	CG2	ILE	V	437
R	H	NH1	ARG	A	67	L	H	HG21	ILE	V	437
R	H	NH1	ARG	A	67	L	H	HG22	ILE	V	437
R	H	NH1	ARG	A	67	L	H	HG23	ILE	V	437
R	H	NH1	ARG	A	67	L	H	NE	ARG	V	441
R	H	NH1	ARG	A	67	L	H	NH2	ARG	V	441
R	H	NH1	ARG	A	67	L	H	CZ	ARG	V	441
R	H	NH1	ARG	A	67	L	H	HG3	ARG	V	441
R	H	NH1	ARG	A	67	L	H	HE	ARG	V	441
R	H	NH1	ARG	A	67	L	H	HH21	ARG	V	441
R	H	NH1	ARG	A	67	L	H	HH22	ARG	V	441
R	H	NH2	ARG	A	67	L	H	CG2	ILE	V	437
R	H	NH2	ARG	A	67	L	H	HG21	ILE	V	437
R	H	NH2	ARG	A	67	L	H	HG22	ILE	V	437
R	H	NH2	ARG	A	67	L	H	HG23	ILE	V	437
R	H	NH2	ARG	A	67	L	H	NE	ARG	V	441
R	H	NH2	ARG	A	67	L	H	NH1	ARG	V	441
R	H	NH2	ARG	A	67	L	H	NH2	ARG	V	441
R	H	NH2	ARG	A	67	L	H	CZ	ARG	V	441
R	H	NH2	ARG	A	67	L	H	HE	ARG	V	441
R	H	NH2	ARG	A	67	L	H	HH21	ARG	V	441
R	H	NH2	ARG	A	67	L	H	HH22	ARG	V	441
R	H	CZ	ARG	A	67	L	H	CG2	ILE	V	437
R	H	CZ	ARG	A	67	L	H	HG21	ILE	V	437
R	H	CZ	ARG	A	67	L	H	HG22	ILE	V	437
R	H	CZ	ARG	A	67	L	H	HG23	ILE	V	437
R	H	CZ	ARG	A	67	L	H	NE	ARG	V	441
R	H	CZ	ARG	A	67	L	H	NH2	ARG	V	441
R	H	CZ	ARG	A	67	L	H	CZ	ARG	V	441
R	H	CZ	ARG	A	67	L	H	HE	ARG	V	441
R	H	CZ	ARG	A	67	L	H	HH21	ARG	V	441
R	H	CZ	ARG	A	67	L	H	HH22	ARG	V	441
R	-	OE2	GLU	A	70	L	-	HA	PRO	V	448
R	-	CB	MET	A	78	L	-	CE	LYS	V	456
R	-	CB	MET	A	78	L	-	HE2	LYS	V	456
R	-	CB	MET	A	78	L	-	HE3	LYS	V	456
R	-	O	MET	A	78	L	-	HE2	LYS	V	456
R	-	CG	MET	A	78	L	-	O	CYS	V	454
R	-	CG	MET	A	78	L	-	HB3	CYS	V	454
R	-	CG	MET	A	78	L	-	HE3	LYS	V	456
R	-	CE	MET	A	78	L	-	HB3	CYS	V	454
R	-	CE	MET	A	78	L	-	HE3	LYS	V	456
R	-	C	CYS	A	79	L	-	HZ1	LYS	V	456
R	-	O	CYS	A	79	L	-	NZ	LYS	V	456
R	-	O	CYS	A	79	L	-	HZ1	LYS	V	456
R	-	O	CYS	A	79	L	-	HZ3	LYS	V	456
R	-	C	THR	A	83	L	-	HH12	ARG	V	488
R	-	O	THR	A	83	L	-	NH1	ARG	V	488
R	-	O	THR	A	83	L	-	HH12	ARG	V	488
R	-	N	GLN	A	84	L	-	HH12	ARG	V	488
R	-	N	GLN	A	84	L	-	HH22	ARG	V	488
R	-	CA	GLN	A	84	L	-	NH1	ARG	V	488
R	-	CA	GLN	A	84	L	-	NH2	ARG	V	488
R	-	CA	GLN	A	84	L	-	CZ	ARG	V	488
R	-	CA	GLN	A	84	L	-	HH11	ARG	V	488
R	-	CA	GLN	A	84	L	-	HH12	ARG	V	488
R	-	CA	GLN	A	84	L	-	HH22	ARG	V	488
R	-	C	GLN	A	84	L	-	NH1	ARG	V	488
R	-	C	GLN	A	84	L	-	CZ	ARG	V	488
R	-	C	GLN	A	84	L	-	HH11	ARG	V	488
R	-	C	GLN	A	84	L	-	HH12	ARG	V	488
R	-	C	GLN	A	84	L	-	HH22	ARG	V	488
R	-	C	GLN	A	84	L	H	HE2	HIS	V	491
R	-	CB	GLN	A	84	L	-	HH12	ARG	V	488
R	-	CB	GLN	A	84	L	-	HH22	ARG	V	488
R	-	O	GLN	A	84	L	-	HH12	ARG	V	488
R	-	CG	GLN	A	84	L	-	HH22	ARG	V	488
R	-	N	ASP	A	85	L	-	NE	ARG	V	488
R	-	N	ASP	A	85	L	-	NH1	ARG	V	488
R	-	N	ASP	A	85	L	-	NH2	ARG	V	488
R	-	N	ASP	A	85	L	-	CZ	ARG	V	488
R	-	N	ASP	A	85	L	-	HD2	ARG	V	488
R	-	N	ASP	A	85	L	-	HH11	ARG	V	488
R	-	N	ASP	A	85	L	-	HH12	ARG	V	488
R	-	N	ASP	A	85	L	-	HH22	ARG	V	488
R	-	N	ASP	A	85	L	H	NE2	HIS	V	491
R	-	N	ASP	A	85	L	H	HE2	HIS	V	491
R	-	CA	ASP	A	85	L	-	CD	ARG	V	488
R	-	CA	ASP	A	85	L	-	NH1	ARG	V	488
R	-	CA	ASP	A	85	L	-	CZ	ARG	V	488
R	-	CA	ASP	A	85	L	-	HD2	ARG	V	488
R	-	CA	ASP	A	85	L	-	HD3	ARG	V	488
R	-	CA	ASP	A	85	L	-	HH11	ARG	V	488
R	-	CA	ASP	A	85	L	-	HH12	ARG	V	488
R	-	CA	ASP	A	85	L	H	HG	SER	V	490
R	-	CA	ASP	A	85	L	H	NE2	HIS	V	491
R	-	CA	ASP	A	85	L	H	HE2	HIS	V	491
R	-	C	ASP	A	85	L	-	CD	ARG	V	488
R	-	C	ASP	A	85	L	-	NE	ARG	V	488
R	-	C	ASP	A	85	L	-	NH1	ARG	V	488
R	-	C	ASP	A	85	L	-	CZ	ARG	V	488
R	-	C	ASP	A	85	L	-	HD2	ARG	V	488
R	-	C	ASP	A	85	L	-	HD3	ARG	V	488
R	-	C	ASP	A	85	L	-	HH11	ARG	V	488
R	-	C	ASP	A	85	L	-	HH12	ARG	V	488
R	-	C	ASP	A	85	L	H	OG	SER	V	490
R	-	C	ASP	A	85	L	H	HG	SER	V	490
R	-	C	ASP	A	85	L	H	HE2	HIS	V	491
R	-	CB	ASP	A	85	L	-	CD	ARG	V	488
R	-	CB	ASP	A	85	L	-	NH1	ARG	V	488
R	-	CB	ASP	A	85	L	-	HD2	ARG	V	488
R	-	CB	ASP	A	85	L	-	HD3	ARG	V	488
R	-	CB	ASP	A	85	L	-	HH11	ARG	V	488
R	-	CB	ASP	A	85	L	-	HH12	ARG	V	488
R	-	CB	ASP	A	85	L	H	HG	SER	V	490
R	-	CB	ASP	A	85	L	H	CG	HIS	V	491
R	-	CB	ASP	A	85	L	H	CD2	HIS	V	491
R	-	CB	ASP	A	85	L	H	CE1	HIS	V	491
R	-	CB	ASP	A	85	L	H	NE2	HIS	V	491
R	-	CB	ASP	A	85	L	H	HD2	HIS	V	491
R	-	CB	ASP	A	85	L	H	HE1	HIS	V	491
R	-	CB	ASP	A	85	L	H	HE2	HIS	V	491
R	-	O	ASP	A	85	L	H	OE1	GLU	V	466
R	-	O	ASP	A	85	L	-	CG	ARG	V	488
R	-	O	ASP	A	85	L	-	CD	ARG	V	488
R	-	O	ASP	A	85	L	-	NE	ARG	V	488
R	-	O	ASP	A	85	L	-	NH1	ARG	V	488
R	-	O	ASP	A	85	L	-	NH2	ARG	V	488
R	-	O	ASP	A	85	L	-	CZ	ARG	V	488
R	-	O	ASP	A	85	L	-	HB3	ARG	V	488
R	-	O	ASP	A	85	L	-	HD2	ARG	V	488
R	-	O	ASP	A	85	L	-	HD3	ARG	V	488
R	-	O	ASP	A	85	L	-	HE	ARG	V	488
R	-	O	ASP	A	85	L	-	HH11	ARG	V	488
R	-	O	ASP	A	85	L	-	HH12	ARG	V	488
R	-	O	ASP	A	85	L	H	OG	SER	V	490
R	-	O	ASP	A	85	L	H	HG	SER	V	490
R	-	O	ASP	A	85	L	H	HE2	HIS	V	491
R	-	CG	ASP	A	85	L	-	HH11	ARG	V	488
R	-	CG	ASP	A	85	L	H	CD2	HIS	V	491
R	-	CG	ASP	A	85	L	H	CE1	HIS	V	491
R	-	CG	ASP	A	85	L	H	NE2	HIS	V	491
R	-	CG	ASP	A	85	L	H	HD2	HIS	V	491
R	-	CG	ASP	A	85	L	H	HE1	HIS	V	491
R	-	CG	ASP	A	85	L	H	HE2	HIS	V	491
R	-	OD1	ASP	A	85	L	H	CD2	HIS	V	491
R	-	OD1	ASP	A	85	L	H	NE2	HIS	V	491
R	-	OD1	ASP	A	85	L	H	HD2	HIS	V	491
R	-	OD1	ASP	A	85	L	H	HE2	HIS	V	491
R	-	OD2	ASP	A	85	L	-	HH11	ARG	V	488
R	-	OD2	ASP	A	85	L	H	CG	HIS	V	491
R	-	OD2	ASP	A	85	L	H	CD2	HIS	V	491
R	-	OD2	ASP	A	85	L	H	ND1	HIS	V	491
R	-	OD2	ASP	A	85	L	H	CE1	HIS	V	491
R	-	OD2	ASP	A	85	L	H	NE2	HIS	V	491
R	-	OD2	ASP	A	85	L	H	HD2	HIS	V	491
R	-	OD2	ASP	A	85	L	H	HE1	HIS	V	491
R	-	OD2	ASP	A	85	L	H	HE2	HIS	V	491
R	-	N	PHE	A	86	L	-	HD3	ARG	V	488
R	-	N	PHE	A	86	L	H	HG	SER	V	490
R	-	CA	PHE	A	86	L	H	HG	SER	V	490
R	-	C	PHE	A	86	L	-	HD3	ARG	V	488
R	-	C	PHE	A	86	L	H	CB	SER	V	490
R	-	C	PHE	A	86	L	H	OG	SER	V	490
R	-	C	PHE	A	86	L	H	HB3	SER	V	490
R	-	C	PHE	A	86	L	H	HG	SER	V	490
R	-	O	PHE	A	86	L	H	CB	SER	V	490
R	-	O	PHE	A	86	L	H	OG	SER	V	490
R	-	O	PHE	A	86	L	H	HB2	SER	V	490
R	-	O	PHE	A	86	L	H	HB3	SER	V	490
R	-	O	PHE	A	86	L	H	HG	SER	V	490
R	-	CE1	PHE	A	86	L	H	HE2	HIS	V	462
R	-	CE1	PHE	A	86	L	H	HD11	ILE	V	463
R	-	CZ	PHE	A	86	L	H	HD11	ILE	V	463
R	-	N	TRP	A	87	L	-	HD3	ARG	V	488
R	-	N	TRP	A	87	L	H	OG	SER	V	490
R	-	N	TRP	A	87	L	H	HB3	SER	V	490
R	-	N	TRP	A	87	L	H	HG	SER	V	490
R	-	CA	TRP	A	87	L	H	CB	SER	V	490
R	-	CA	TRP	A	87	L	H	OG	SER	V	490
R	-	CA	TRP	A	87	L	H	H	SER	V	490
R	-	CA	TRP	A	87	L	H	HB3	SER	V	490
R	-	CA	TRP	A	87	L	H	HG	SER	V	490
R	-	C	TRP	A	87	L	H	HB3	SER	V	490
R	-	CB	TRP	A	87	L	H	HB3	SER	V	490
R	-	CG	TRP	A	87	L	-	HB3	ARG	V	488
R	-	CG	TRP	A	87	L	H	H	LYS	V	489
R	-	CG	TRP	A	87	L	H	H	SER	V	490
R	-	CD1	TRP	A	87	L	H	CD	GLU	V	466
R	-	CD1	TRP	A	87	L	H	OE1	GLU	V	466
R	-	CD1	TRP	A	87	L	-	CG	ARG	V	488
R	-	CD1	TRP	A	87	L	-	CD	ARG	V	488
R	-	CD1	TRP	A	87	L	-	HB3	ARG	V	488
R	-	CD1	TRP	A	87	L	-	HG2	ARG	V	488
R	-	CD1	TRP	A	87	L	-	HD3	ARG	V	488
R	-	CD2	TRP	A	87	L	-	HA	ARG	V	488
R	-	CD2	TRP	A	87	L	-	HB3	ARG	V	488
R	-	CD2	TRP	A	87	L	H	N	LYS	V	489
R	-	CD2	TRP	A	87	L	H	H	LYS	V	489
R	-	CD2	TRP	A	87	L	H	HB2	LYS	V	489
R	-	CD2	TRP	A	87	L	H	HB3	LYS	V	489
R	-	CD2	TRP	A	87	L	H	H	SER	V	490
R	-	CE2	TRP	A	87	L	H	OE1	GLU	V	466
R	-	CE2	TRP	A	87	L	-	HE2	TYR	V	477
R	-	CE2	TRP	A	87	L	-	CA	ARG	V	488
R	-	CE2	TRP	A	87	L	-	CB	ARG	V	488
R	-	CE2	TRP	A	87	L	-	HA	ARG	V	488
R	-	CE2	TRP	A	87	L	-	HB3	ARG	V	488
R	-	CE2	TRP	A	87	L	-	HG2	ARG	V	488
R	-	CE2	TRP	A	87	L	H	N	LYS	V	489
R	-	CE2	TRP	A	87	L	H	H	LYS	V	489
R	-	CE3	TRP	A	87	L	-	OH	TYR	V	477
R	-	CE3	TRP	A	87	L	-	CZ	TYR	V	477
R	-	CE3	TRP	A	87	L	H	N	LYS	V	489
R	-	CE3	TRP	A	87	L	H	CA	LYS	V	489
R	-	CE3	TRP	A	87	L	H	CB	LYS	V	489
R	-	CE3	TRP	A	87	L	H	H	LYS	V	489
R	-	CE3	TRP	A	87	L	H	HB2	LYS	V	489
R	-	CE3	TRP	A	87	L	H	HB3	LYS	V	489
R	-	CE3	TRP	A	87	L	H	H	SER	V	490
R	-	NE1	TRP	A	87	L	H	CD	GLU	V	466
R	-	NE1	TRP	A	87	L	H	OE1	GLU	V	466
R	-	NE1	TRP	A	87	L	H	HG3	GLU	V	466
R	-	NE1	TRP	A	87	L	-	CA	ARG	V	488
R	-	NE1	TRP	A	87	L	-	CB	ARG	V	488
R	-	NE1	TRP	A	87	L	-	CG	ARG	V	488
R	-	NE1	TRP	A	87	L	-	CD	ARG	V	488
R	-	NE1	TRP	A	87	L	-	HA	ARG	V	488
R	-	NE1	TRP	A	87	L	-	HB3	ARG	V	488
R	-	NE1	TRP	A	87	L	-	HG2	ARG	V	488
R	-	NE1	TRP	A	87	L	-	HD3	ARG	V	488
R	-	NE1	TRP	A	87	L	-	HE	ARG	V	488
R	-	NE1	TRP	A	87	L	H	H	LYS	V	489
R	-	CH2	TRP	A	87	L	H	HZ2	LYS	V	469
R	-	CH2	TRP	A	87	L	-	CD2	TYR	V	477
R	-	CH2	TRP	A	87	L	-	CE1	TYR	V	477
R	-	CH2	TRP	A	87	L	-	CE2	TYR	V	477
R	-	CH2	TRP	A	87	L	-	OH	TYR	V	477
R	-	CH2	TRP	A	87	L	-	CZ	TYR	V	477
R	-	CH2	TRP	A	87	L	-	HD2	TYR	V	477
R	-	CH2	TRP	A	87	L	-	HE2	TYR	V	477
R	-	CH2	TRP	A	87	L	-	HH	TYR	V	477
R	-	CH2	TRP	A	87	L	-	O	ILE	V	487
R	-	CH2	TRP	A	87	L	-	HA	ARG	V	488
R	-	CH2	TRP	A	87	L	H	N	LYS	V	489
R	-	CH2	TRP	A	87	L	H	H	LYS	V	489
R	-	CH2	TRP	A	87	L	H	HB2	LYS	V	489
R	-	CZ2	TRP	A	87	L	H	HZ2	LYS	V	469
R	-	CZ2	TRP	A	87	L	-	CE2	TYR	V	477
R	-	CZ2	TRP	A	87	L	-	OH	TYR	V	477
R	-	CZ2	TRP	A	87	L	-	CZ	TYR	V	477
R	-	CZ2	TRP	A	87	L	-	HE2	TYR	V	477
R	-	CZ2	TRP	A	87	L	-	HH	TYR	V	477
R	-	CZ2	TRP	A	87	L	-	O	ILE	V	487
R	-	CZ2	TRP	A	87	L	-	CA	ARG	V	488
R	-	CZ2	TRP	A	87	L	-	HA	ARG	V	488
R	-	CZ2	TRP	A	87	L	-	HG2	ARG	V	488
R	-	CZ2	TRP	A	87	L	H	N	LYS	V	489
R	-	CZ2	TRP	A	87	L	H	H	LYS	V	489
R	-	CZ3	TRP	A	87	L	-	CE1	TYR	V	477
R	-	CZ3	TRP	A	87	L	-	CE2	TYR	V	477
R	-	CZ3	TRP	A	87	L	-	OH	TYR	V	477
R	-	CZ3	TRP	A	87	L	-	CZ	TYR	V	477
R	-	CZ3	TRP	A	87	L	-	HE1	TYR	V	477
R	-	CZ3	TRP	A	87	L	-	HE2	TYR	V	477
R	-	CZ3	TRP	A	87	L	-	HH	TYR	V	477
R	-	CZ3	TRP	A	87	L	-	HA	ARG	V	488
R	-	CZ3	TRP	A	87	L	H	N	LYS	V	489
R	-	CZ3	TRP	A	87	L	H	CA	LYS	V	489
R	-	CZ3	TRP	A	87	L	H	CB	LYS	V	489
R	-	CZ3	TRP	A	87	L	H	H	LYS	V	489
R	-	CZ3	TRP	A	87	L	H	HB2	LYS	V	489
R	-	CZ3	TRP	A	87	L	H	HB3	LYS	V	489
R	-	N	PRO	A	88	L	H	CB	SER	V	490
R	-	N	PRO	A	88	L	H	HB3	SER	V	490
R	-	CA	PRO	A	88	L	H	HB3	SER	V	490
R	-	O	PRO	A	88	L	H	HD3	LYS	V	489
R	-	CG	PRO	A	88	L	H	CB	SER	V	490
R	-	CG	PRO	A	88	L	H	HA	SER	V	490
R	-	CG	PRO	A	88	L	H	HB2	SER	V	490
R	-	CG	PRO	A	88	L	H	HB3	SER	V	490
R	-	CD	PRO	A	88	L	H	N	SER	V	490
R	-	CD	PRO	A	88	L	H	CA	SER	V	490
R	-	CD	PRO	A	88	L	H	CB	SER	V	490
R	-	CD	PRO	A	88	L	H	OG	SER	V	490
R	-	CD	PRO	A	88	L	H	H	SER	V	490
R	-	CD	PRO	A	88	L	H	HA	SER	V	490
R	-	CD	PRO	A	88	L	H	HB2	SER	V	490
R	-	CD	PRO	A	88	L	H	HB3	SER	V	490
R	-	N	GLN	A	90	L	H	HZ2	LYS	V	489
R	-	CA	GLN	A	90	L	H	HZ2	LYS	V	489
R	-	C	GLN	A	90	L	H	HZ2	LYS	V	489
R	-	O	GLN	A	90	L	H	NZ	LYS	V	489
R	-	O	GLN	A	90	L	H	HZ1	LYS	V	489
R	-	O	GLN	A	90	L	H	HZ2	LYS	V	489
R	-	O	GLN	A	90	L	H	HZ3	LYS	V	489
R	-	CB	ALA	A	99	L	-	OE2	GLU	V	478
R	-	O	THR	A	100	L	-	CD	GLN	V	483
R	-	O	THR	A	100	L	-	NE2	GLN	V	483
R	-	O	THR	A	100	L	-	HG3	GLN	V	483
R	-	O	THR	A	100	L	-	HE21	GLN	V	483
R	-	N	ARG	A	102	L	-	HG3	GLN	V	483
R	-	CA	ARG	A	102	L	-	HG3	GLN	V	483
R	-	C	ARG	A	102	L	-	HB2	GLN	V	483
R	-	C	ARG	A	102	L	-	HG3	GLN	V	483
R	-	CB	ARG	A	102	L	-	HG3	GLN	V	483
R	-	O	ARG	A	102	L	-	CB	GLN	V	483
R	-	O	ARG	A	102	L	-	CG	GLN	V	483
R	-	O	ARG	A	102	L	-	HB2	GLN	V	483
R	-	O	ARG	A	102	L	-	HB3	GLN	V	483
R	-	O	ARG	A	102	L	-	HG2	GLN	V	483
R	-	O	ARG	A	102	L	-	HG3	GLN	V	483
R	-	CG	TYR	A	104	L	-	HG2	LYS	V	484
R	-	CD1	TYR	A	104	L	-	CG	LYS	V	484
R	-	CD1	TYR	A	104	L	-	HA	LYS	V	484
R	-	CD1	TYR	A	104	L	-	HG2	LYS	V	484
R	-	CD1	TYR	A	104	L	-	HG3	LYS	V	484
R	-	CD1	TYR	A	104	L	-	HE2	LYS	V	484
R	-	CE1	TYR	A	104	L	-	CA	LYS	V	484
R	-	CE1	TYR	A	104	L	-	CB	LYS	V	484
R	-	CE1	TYR	A	104	L	-	CG	LYS	V	484
R	-	CE1	TYR	A	104	L	-	HA	LYS	V	484
R	-	CE1	TYR	A	104	L	-	HB3	LYS	V	484
R	-	CE1	TYR	A	104	L	-	HG2	LYS	V	484
R	-	CE1	TYR	A	104	L	-	HG3	LYS	V	484
R	-	CE1	TYR	A	104	L	-	HD3	LYS	V	484
R	-	CE1	TYR	A	104	L	-	H	ALA	V	485
R	-	CE2	TYR	A	104	L	-	HA	LYS	V	484
R	-	CE2	TYR	A	104	L	-	H	ALA	V	485
R	-	OH	TYR	A	104	L	-	HD3	ARG	V	475
R	-	OH	TYR	A	104	L	-	HH11	ARG	V	475
R	-	OH	TYR	A	104	L	-	CA	LYS	V	484
R	-	OH	TYR	A	104	L	-	C	LYS	V	484
R	-	OH	TYR	A	104	L	-	HA	LYS	V	484
R	-	OH	TYR	A	104	L	-	N	ALA	V	485
R	-	OH	TYR	A	104	L	-	CA	ALA	V	485
R	-	OH	TYR	A	104	L	-	C	ALA	V	485
R	-	OH	TYR	A	104	L	-	CB	ALA	V	485
R	-	OH	TYR	A	104	L	-	O	ALA	V	485
R	-	OH	TYR	A	104	L	-	H	ALA	V	485
R	-	OH	TYR	A	104	L	-	HB1	ALA	V	485
R	-	OH	TYR	A	104	L	-	HB2	ALA	V	485
R	-	CZ	TYR	A	104	L	-	CA	LYS	V	484
R	-	CZ	TYR	A	104	L	-	HA	LYS	V	484
R	-	CZ	TYR	A	104	L	-	HG2	LYS	V	484
R	-	CZ	TYR	A	104	L	-	N	ALA	V	485
R	-	CZ	TYR	A	104	L	-	H	ALA	V	485
R	-	O	LYS	A	105	L	-	CE	LYS	V	484
R	-	O	LYS	A	105	L	-	NZ	LYS	V	484
R	-	O	LYS	A	105	L	-	HE2	LYS	V	484
R	-	O	LYS	A	105	L	-	HE3	LYS	V	484
R	-	O	LYS	A	105	L	-	HZ1	LYS	V	484
R	-	C	ASN	A	106	L	-	HZ1	LYS	V	484
R	-	O	ASN	A	106	L	-	HZ1	LYS	V	484
R	-	N	CYS	A	107	L	-	HZ1	LYS	V	484
R	-	CA	CYS	A	107	L	-	HZ1	LYS	V	484
R	-	CB	CYS	A	107	L	-	HZ1	LYS	V	484
R	-	CB	CYS	A	107	L	-	HZ3	LYS	V	484
R	-	CB	LYS	A	115	L	-	HG21	THR	V	517
R	-	CB	LYS	A	115	L	-	HG23	THR	V	517
R	-	O	LYS	A	115	L	-	HG21	THR	V	517
R	-	CD	LYS	A	115	L	-	HG23	THR	V	517
R	-	NZ	LYS	A	115	L	-	H	ALA	V	515
R	-	CB	ASP	A	117	L	-	OG1	THR	V	517
R	-	CB	ASP	A	117	L	-	HG1	THR	V	517
R	-	CG	ASP	A	117	L	-	OG1	THR	V	517
R	-	OD2	ASP	A	117	L	-	HA	LYS	V	516
R	-	OD2	ASP	A	117	L	-	OG1	THR	V	517
R	-	OD2	ASP	A	117	L	-	H	THR	V	517
R	-	OD2	ASP	A	117	L	-	HG23	THR	V	517
R	-	O	PHE	A	805	L	-	CD1	LEU	V	118
R	-	O	PHE	A	805	L	-	HD11	LEU	V	118
R	-	O	PHE	A	805	L	-	HD13	LEU	V	118
R	-	CA	SER	A	806	L	-	HD13	LEU	V	118
R	-	N	ASN	A	807	L	-	HD13	LEU	V	118

- 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