IID

Q96A58_Q969Q5.4 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	H	THR	A	21	L	-	LYS	V	29
R	H	THR	A	21	L	-	ARG	V	30
R	H	GLU	A	25	L	H	THR	V	28
R	H	GLU	A	25	L	-	LYS	V	29
R	H	HIS	A	29	L	S	HIS	V	45
R	-	PRO	A	36	L	-	ARG	V	30
R	-	TYR	A	37	L	-	ARG	V	30
R	-	GLN	A	38	L	-	ARG	V	30
R	-	GLN	A	38	L	-	ILE	V	32
R	-	ASN	A	39	L	-	PHE	V	31
R	-	THR	A	40	L	H	ARG	V	25
R	-	THR	A	40	L	-	LYS	V	29
R	-	THR	A	40	L	-	ARG	V	30
R	-	ILE	A	41	L	-	CYS	V	150
R	-	ILE	A	41	L	-	THR	V	151
R	-	ILE	A	41	L	-	GLY	V	152
R	-	ILE	A	41	L	H	ARG	V	25
R	-	ILE	A	41	L	-	PHE	V	31
R	-	ILE	A	41	L	-	TRP	V	33
R	-	GLY	A	42	L	-	CYS	V	150
R	-	GLY	A	42	L	-	THR	V	151
R	-	GLY	A	42	L	-	GLY	V	152
R	-	GLY	A	42	L	H	ARG	V	25
R	S	ALA	A	43	L	-	THR	V	151
R	S	ALA	A	43	L	-	GLY	V	152
R	S	ALA	A	43	L	H	ARG	V	25
R	S	ALA	A	44	L	-	GLY	V	152
R	S	ALA	A	44	L	H	ARG	V	25
R	S	ALA	A	44	L	-	LYS	V	29
R	S	PHE	A	45	L	-	ASN	V	155
R	S	PHE	A	45	L	H	THR	V	157
R	S	PHE	A	45	L	H	GLU	V	158
R	S	PHE	A	45	L	-	LYS	V	29
R	S	VAL	A	46	L	H	THR	V	157
R	S	VAL	A	46	L	-	LYS	V	29
R	S	ALA	A	47	L	H	THR	V	157
R	S	ALA	A	47	L	H	TYR	V	161
R	S	ALA	A	47	L	S	THR	V	48
R	S	VAL	A	49	L	S	THR	V	48
R	S	VAL	A	49	L	-	ASP	V	51
R	S	ARG	A	5	L	-	ASP	V	50
R	S	THR	A	56	L	-	ASP	V	51
R	S	TRP	A	62	L	-	ASN	V	155
R	H	TYR	A	70	L	-	TRP	V	33
R	H	MET	A	73	L	-	THR	V	151
R	H	MET	A	73	L	-	GLU	V	153
R	H	ILE	A	76	L	-	GLU	V	153
R	H	TYR	A	77	L	-	THR	V	151
R	H	TYR	A	77	L	-	GLY	V	152
R	H	TYR	A	77	L	-	GLU	V	153

- 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

Q96A58_Q969Q5.4 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	S	NH1	ARG	A	5	L	-	CB	ASP	V	50
R	S	NH1	ARG	A	5	L	-	CG	ASP	V	50
R	S	NH1	ARG	A	5	L	-	OD1	ASP	V	50
R	S	NH1	ARG	A	5	L	-	HA	ASP	V	50
R	S	NH1	ARG	A	5	L	-	HB2	ASP	V	50
R	S	NH2	ARG	A	5	L	-	OD1	ASP	V	50
R	S	NH2	ARG	A	5	L	-	HA	ASP	V	50
R	S	CZ	ARG	A	5	L	-	HA	ASP	V	50
R	H	CB	THR	A	21	L	-	HE	ARG	V	30
R	H	CB	THR	A	21	L	-	HH21	ARG	V	30
R	H	CG2	THR	A	21	L	-	HB2	LYS	V	29
R	H	CG2	THR	A	21	L	-	NE	ARG	V	30
R	H	CG2	THR	A	21	L	-	NH2	ARG	V	30
R	H	CG2	THR	A	21	L	-	HE	ARG	V	30
R	H	CG2	THR	A	21	L	-	HH21	ARG	V	30
R	H	OE1	GLU	A	25	L	H	O	THR	V	28
R	H	OE1	GLU	A	25	L	H	HA	THR	V	28
R	H	OE1	GLU	A	25	L	-	HG2	LYS	V	29
R	H	ND1	HIS	A	29	L	S	HE1	HIS	V	45
R	H	CE1	HIS	A	29	L	S	HE1	HIS	V	45
R	H	NE2	HIS	A	29	L	S	HE1	HIS	V	45
R	-	O	PRO	A	36	L	-	NH1	ARG	V	30
R	-	O	PRO	A	36	L	-	HH11	ARG	V	30
R	-	O	PRO	A	36	L	-	HH12	ARG	V	30
R	-	CA	TYR	A	37	L	-	NH1	ARG	V	30
R	-	CA	TYR	A	37	L	-	HH12	ARG	V	30
R	-	C	TYR	A	37	L	-	HH11	ARG	V	30
R	-	C	TYR	A	37	L	-	HH12	ARG	V	30
R	-	CD2	TYR	A	37	L	-	HH22	ARG	V	30
R	-	N	GLN	A	38	L	-	NH1	ARG	V	30
R	-	N	GLN	A	38	L	-	HD2	ARG	V	30
R	-	N	GLN	A	38	L	-	HH11	ARG	V	30
R	-	N	GLN	A	38	L	-	HH12	ARG	V	30
R	-	CA	GLN	A	38	L	-	HD2	ARG	V	30
R	-	CA	GLN	A	38	L	-	HH11	ARG	V	30
R	-	C	GLN	A	38	L	-	HD2	ARG	V	30
R	-	CB	GLN	A	38	L	-	CD	ARG	V	30
R	-	CB	GLN	A	38	L	-	NH1	ARG	V	30
R	-	CB	GLN	A	38	L	-	HB3	ARG	V	30
R	-	CB	GLN	A	38	L	-	HD2	ARG	V	30
R	-	CB	GLN	A	38	L	-	HD3	ARG	V	30
R	-	CB	GLN	A	38	L	-	HH11	ARG	V	30
R	-	O	GLN	A	38	L	-	CD	ARG	V	30
R	-	O	GLN	A	38	L	-	NE	ARG	V	30
R	-	O	GLN	A	38	L	-	CZ	ARG	V	30
R	-	O	GLN	A	38	L	-	HG2	ARG	V	30
R	-	O	GLN	A	38	L	-	HD2	ARG	V	30
R	-	O	GLN	A	38	L	-	HH11	ARG	V	30
R	-	CG	GLN	A	38	L	-	HD2	ARG	V	30
R	-	CG	GLN	A	38	L	-	HH11	ARG	V	30
R	-	CG	GLN	A	38	L	-	HG12	ILE	V	32
R	-	CD	GLN	A	38	L	-	CG1	ILE	V	32
R	-	CD	GLN	A	38	L	-	CD1	ILE	V	32
R	-	CD	GLN	A	38	L	-	HG12	ILE	V	32
R	-	CD	GLN	A	38	L	-	HG13	ILE	V	32
R	-	CD	GLN	A	38	L	-	HG22	ILE	V	32
R	-	CD	GLN	A	38	L	-	HD11	ILE	V	32
R	-	CD	GLN	A	38	L	-	HD13	ILE	V	32
R	-	NE2	GLN	A	38	L	-	CB	ILE	V	32
R	-	NE2	GLN	A	38	L	-	CG1	ILE	V	32
R	-	NE2	GLN	A	38	L	-	CG2	ILE	V	32
R	-	NE2	GLN	A	38	L	-	CD1	ILE	V	32
R	-	NE2	GLN	A	38	L	-	HA	ILE	V	32
R	-	NE2	GLN	A	38	L	-	HG12	ILE	V	32
R	-	NE2	GLN	A	38	L	-	HG21	ILE	V	32
R	-	NE2	GLN	A	38	L	-	HG22	ILE	V	32
R	-	NE2	GLN	A	38	L	-	HD11	ILE	V	32
R	-	NE2	GLN	A	38	L	-	HD13	ILE	V	32
R	-	OE1	GLN	A	38	L	-	HB2	ARG	V	30
R	-	OE1	GLN	A	38	L	-	HB3	ARG	V	30
R	-	OE1	GLN	A	38	L	-	HD2	ARG	V	30
R	-	OE1	GLN	A	38	L	-	HD3	ARG	V	30
R	-	OE1	GLN	A	38	L	-	CB	ILE	V	32
R	-	OE1	GLN	A	38	L	-	CG1	ILE	V	32
R	-	OE1	GLN	A	38	L	-	CD1	ILE	V	32
R	-	OE1	GLN	A	38	L	-	HG12	ILE	V	32
R	-	OE1	GLN	A	38	L	-	HG13	ILE	V	32
R	-	OE1	GLN	A	38	L	-	HG22	ILE	V	32
R	-	OE1	GLN	A	38	L	-	HD11	ILE	V	32
R	-	OE1	GLN	A	38	L	-	HD12	ILE	V	32
R	-	OE1	GLN	A	38	L	-	HD13	ILE	V	32
R	-	O	ASN	A	39	L	-	H	PHE	V	31
R	-	CA	THR	A	40	L	-	HA	ARG	V	30
R	-	C	THR	A	40	L	H	HH12	ARG	V	25
R	-	C	THR	A	40	L	H	HH22	ARG	V	25
R	-	CG2	THR	A	40	L	H	NH2	ARG	V	25
R	-	CG2	THR	A	40	L	H	HH21	ARG	V	25
R	-	CG2	THR	A	40	L	H	HH22	ARG	V	25
R	-	CG2	THR	A	40	L	-	O	LYS	V	29
R	-	OG1	THR	A	40	L	-	HG2	ARG	V	30
R	-	N	ILE	A	41	L	H	NH1	ARG	V	25
R	-	N	ILE	A	41	L	H	NH2	ARG	V	25
R	-	N	ILE	A	41	L	H	CZ	ARG	V	25
R	-	N	ILE	A	41	L	H	HH11	ARG	V	25
R	-	N	ILE	A	41	L	H	HH12	ARG	V	25
R	-	N	ILE	A	41	L	H	HH22	ARG	V	25
R	-	N	ILE	A	41	L	-	H	PHE	V	31
R	-	N	ILE	A	41	L	-	O	CYS	V	150
R	-	CA	ILE	A	41	L	H	NH1	ARG	V	25
R	-	CA	ILE	A	41	L	H	HH12	ARG	V	25
R	-	CA	ILE	A	41	L	H	HH22	ARG	V	25
R	-	CA	ILE	A	41	L	-	C	CYS	V	150
R	-	CA	ILE	A	41	L	-	O	CYS	V	150
R	-	CA	ILE	A	41	L	-	O	THR	V	151
R	-	CA	ILE	A	41	L	-	HA	THR	V	151
R	-	C	ILE	A	41	L	H	NH1	ARG	V	25
R	-	C	ILE	A	41	L	H	NH2	ARG	V	25
R	-	C	ILE	A	41	L	H	CZ	ARG	V	25
R	-	C	ILE	A	41	L	H	HH12	ARG	V	25
R	-	C	ILE	A	41	L	H	HH22	ARG	V	25
R	-	C	ILE	A	41	L	-	C	CYS	V	150
R	-	C	ILE	A	41	L	-	O	CYS	V	150
R	-	C	ILE	A	41	L	-	N	THR	V	151
R	-	C	ILE	A	41	L	-	CA	THR	V	151
R	-	C	ILE	A	41	L	-	C	THR	V	151
R	-	C	ILE	A	41	L	-	O	THR	V	151
R	-	C	ILE	A	41	L	-	HA	THR	V	151
R	-	C	ILE	A	41	L	-	N	GLY	V	152
R	-	CB	ILE	A	41	L	H	NH1	ARG	V	25
R	-	CB	ILE	A	41	L	H	HH11	ARG	V	25
R	-	CB	ILE	A	41	L	H	HH12	ARG	V	25
R	-	CB	ILE	A	41	L	-	CB	PHE	V	31
R	-	CB	ILE	A	41	L	-	HB2	PHE	V	31
R	-	CB	ILE	A	41	L	-	HB3	PHE	V	31
R	-	CB	ILE	A	41	L	-	HD1	PHE	V	31
R	-	CB	ILE	A	41	L	-	CA	CYS	V	150
R	-	CB	ILE	A	41	L	-	C	CYS	V	150
R	-	CB	ILE	A	41	L	-	O	CYS	V	150
R	-	CB	ILE	A	41	L	-	HA	CYS	V	150
R	-	CB	ILE	A	41	L	-	N	THR	V	151
R	-	CB	ILE	A	41	L	-	CA	THR	V	151
R	-	CB	ILE	A	41	L	-	HA	THR	V	151
R	-	O	ILE	A	41	L	H	NE	ARG	V	25
R	-	O	ILE	A	41	L	H	NH1	ARG	V	25
R	-	O	ILE	A	41	L	H	NH2	ARG	V	25
R	-	O	ILE	A	41	L	H	CZ	ARG	V	25
R	-	O	ILE	A	41	L	H	HH11	ARG	V	25
R	-	O	ILE	A	41	L	H	HH12	ARG	V	25
R	-	O	ILE	A	41	L	H	HH21	ARG	V	25
R	-	O	ILE	A	41	L	H	HH22	ARG	V	25
R	-	O	ILE	A	41	L	-	C	CYS	V	150
R	-	O	ILE	A	41	L	-	O	CYS	V	150
R	-	O	ILE	A	41	L	-	N	THR	V	151
R	-	O	ILE	A	41	L	-	CA	THR	V	151
R	-	O	ILE	A	41	L	-	C	THR	V	151
R	-	O	ILE	A	41	L	-	O	THR	V	151
R	-	O	ILE	A	41	L	-	HA	THR	V	151
R	-	O	ILE	A	41	L	-	N	GLY	V	152
R	-	O	ILE	A	41	L	-	CA	GLY	V	152
R	-	O	ILE	A	41	L	-	H	GLY	V	152
R	-	O	ILE	A	41	L	-	HA3	GLY	V	152
R	-	CG1	ILE	A	41	L	H	HH12	ARG	V	25
R	-	CG1	ILE	A	41	L	-	CB	PHE	V	31
R	-	CG1	ILE	A	41	L	-	HB3	PHE	V	31
R	-	CG1	ILE	A	41	L	-	HD1	PHE	V	31
R	-	CG1	ILE	A	41	L	-	O	CYS	V	150
R	-	CG2	ILE	A	41	L	H	HH12	ARG	V	25
R	-	CG2	ILE	A	41	L	-	CA	CYS	V	150
R	-	CG2	ILE	A	41	L	-	C	CYS	V	150
R	-	CG2	ILE	A	41	L	-	CB	CYS	V	150
R	-	CG2	ILE	A	41	L	-	O	CYS	V	150
R	-	CG2	ILE	A	41	L	-	SG	CYS	V	150
R	-	CG2	ILE	A	41	L	-	HA	CYS	V	150
R	-	CG2	ILE	A	41	L	-	N	THR	V	151
R	-	CG2	ILE	A	41	L	-	CA	THR	V	151
R	-	CG2	ILE	A	41	L	-	H	THR	V	151
R	-	CG2	ILE	A	41	L	-	HA	THR	V	151
R	-	CG2	ILE	A	41	L	-	HG23	THR	V	151
R	-	CD1	ILE	A	41	L	-	CB	PHE	V	31
R	-	CD1	ILE	A	41	L	-	CG	PHE	V	31
R	-	CD1	ILE	A	41	L	-	CD1	PHE	V	31
R	-	CD1	ILE	A	41	L	-	CE1	PHE	V	31
R	-	CD1	ILE	A	41	L	-	HB2	PHE	V	31
R	-	CD1	ILE	A	41	L	-	HB3	PHE	V	31
R	-	CD1	ILE	A	41	L	-	HD1	PHE	V	31
R	-	CD1	ILE	A	41	L	-	HE1	PHE	V	31
R	-	CD1	ILE	A	41	L	-	CE2	TRP	V	33
R	-	CD1	ILE	A	41	L	-	NE1	TRP	V	33
R	-	CD1	ILE	A	41	L	-	CZ2	TRP	V	33
R	-	CD1	ILE	A	41	L	-	HZ2	TRP	V	33
R	-	CD1	ILE	A	41	L	-	HE1	TRP	V	33
R	-	CD1	ILE	A	41	L	-	O	CYS	V	150
R	-	CD1	ILE	A	41	L	-	SG	CYS	V	150
R	-	CD1	ILE	A	41	L	-	HA	CYS	V	150
R	-	N	GLY	A	42	L	H	HH12	ARG	V	25
R	-	N	GLY	A	42	L	H	HH22	ARG	V	25
R	-	N	GLY	A	42	L	-	O	CYS	V	150
R	-	N	GLY	A	42	L	-	CA	THR	V	151
R	-	N	GLY	A	42	L	-	C	THR	V	151
R	-	N	GLY	A	42	L	-	CB	THR	V	151
R	-	N	GLY	A	42	L	-	O	THR	V	151
R	-	N	GLY	A	42	L	-	HA	THR	V	151
R	-	N	GLY	A	42	L	-	HB	THR	V	151
R	-	CA	GLY	A	42	L	H	HH22	ARG	V	25
R	-	CA	GLY	A	42	L	-	CA	THR	V	151
R	-	CA	GLY	A	42	L	-	C	THR	V	151
R	-	CA	GLY	A	42	L	-	CB	THR	V	151
R	-	CA	GLY	A	42	L	-	O	THR	V	151
R	-	CA	GLY	A	42	L	-	HA	THR	V	151
R	-	CA	GLY	A	42	L	-	HB	THR	V	151
R	-	CA	GLY	A	42	L	-	N	GLY	V	152
R	-	C	GLY	A	42	L	H	NH2	ARG	V	25
R	-	C	GLY	A	42	L	H	HH21	ARG	V	25
R	-	C	GLY	A	42	L	H	HH22	ARG	V	25
R	-	C	GLY	A	42	L	-	C	THR	V	151
R	-	C	GLY	A	42	L	-	O	THR	V	151
R	-	C	GLY	A	42	L	-	HA	THR	V	151
R	-	C	GLY	A	42	L	-	HA3	GLY	V	152
R	-	O	GLY	A	42	L	H	HH22	ARG	V	25
R	-	O	GLY	A	42	L	-	O	THR	V	151
R	S	N	ALA	A	43	L	H	NH2	ARG	V	25
R	S	N	ALA	A	43	L	H	HH21	ARG	V	25
R	S	N	ALA	A	43	L	H	HH22	ARG	V	25
R	S	N	ALA	A	43	L	-	C	THR	V	151
R	S	N	ALA	A	43	L	-	O	THR	V	151
R	S	N	ALA	A	43	L	-	N	GLY	V	152
R	S	N	ALA	A	43	L	-	CA	GLY	V	152
R	S	N	ALA	A	43	L	-	C	GLY	V	152
R	S	N	ALA	A	43	L	-	HA3	GLY	V	152
R	S	CA	ALA	A	43	L	H	NH2	ARG	V	25
R	S	CA	ALA	A	43	L	H	HH21	ARG	V	25
R	S	CA	ALA	A	43	L	H	HH22	ARG	V	25
R	S	CA	ALA	A	43	L	-	O	THR	V	151
R	S	CA	ALA	A	43	L	-	HA3	GLY	V	152
R	S	C	ALA	A	43	L	H	NH2	ARG	V	25
R	S	C	ALA	A	43	L	H	CZ	ARG	V	25
R	S	C	ALA	A	43	L	H	HE	ARG	V	25
R	S	C	ALA	A	43	L	H	HH21	ARG	V	25
R	S	C	ALA	A	43	L	H	HH22	ARG	V	25
R	S	C	ALA	A	43	L	-	O	THR	V	151
R	S	C	ALA	A	43	L	-	CA	GLY	V	152
R	S	C	ALA	A	43	L	-	O	GLY	V	152
R	S	C	ALA	A	43	L	-	HA3	GLY	V	152
R	S	O	ALA	A	43	L	H	NE	ARG	V	25
R	S	O	ALA	A	43	L	H	NH2	ARG	V	25
R	S	O	ALA	A	43	L	H	CZ	ARG	V	25
R	S	O	ALA	A	43	L	H	HE	ARG	V	25
R	S	O	ALA	A	43	L	H	HH21	ARG	V	25
R	S	O	ALA	A	43	L	H	HH22	ARG	V	25
R	S	O	ALA	A	43	L	-	O	THR	V	151
R	S	O	ALA	A	43	L	-	N	GLY	V	152
R	S	O	ALA	A	43	L	-	CA	GLY	V	152
R	S	O	ALA	A	43	L	-	C	GLY	V	152
R	S	O	ALA	A	43	L	-	O	GLY	V	152
R	S	O	ALA	A	43	L	-	HA2	GLY	V	152
R	S	O	ALA	A	43	L	-	HA3	GLY	V	152
R	S	N	ALA	A	44	L	H	NH2	ARG	V	25
R	S	N	ALA	A	44	L	H	HE	ARG	V	25
R	S	N	ALA	A	44	L	H	HH21	ARG	V	25
R	S	N	ALA	A	44	L	H	HH22	ARG	V	25
R	S	N	ALA	A	44	L	-	HA3	GLY	V	152
R	S	CA	ALA	A	44	L	H	NH2	ARG	V	25
R	S	CA	ALA	A	44	L	H	HE	ARG	V	25
R	S	CA	ALA	A	44	L	H	HH21	ARG	V	25
R	S	CA	ALA	A	44	L	-	HB3	LYS	V	29
R	S	CA	ALA	A	44	L	-	HD2	LYS	V	29
R	S	C	ALA	A	44	L	-	HD2	LYS	V	29
R	S	CB	ALA	A	44	L	H	HE	ARG	V	25
R	S	CB	ALA	A	44	L	H	HH21	ARG	V	25
R	S	CB	ALA	A	44	L	-	CA	LYS	V	29
R	S	CB	ALA	A	44	L	-	C	LYS	V	29
R	S	CB	ALA	A	44	L	-	CB	LYS	V	29
R	S	CB	ALA	A	44	L	-	O	LYS	V	29
R	S	CB	ALA	A	44	L	-	CG	LYS	V	29
R	S	CB	ALA	A	44	L	-	CD	LYS	V	29
R	S	CB	ALA	A	44	L	-	HA	LYS	V	29
R	S	CB	ALA	A	44	L	-	HB2	LYS	V	29
R	S	CB	ALA	A	44	L	-	HB3	LYS	V	29
R	S	CB	ALA	A	44	L	-	HG3	LYS	V	29
R	S	CB	ALA	A	44	L	-	HD2	LYS	V	29
R	S	CB	ALA	A	44	L	-	HD3	LYS	V	29
R	S	N	PHE	A	45	L	-	HD2	LYS	V	29
R	S	N	PHE	A	45	L	H	OG1	THR	V	157
R	S	N	PHE	A	45	L	H	HG1	THR	V	157
R	S	CA	PHE	A	45	L	H	OG1	THR	V	157
R	S	CA	PHE	A	45	L	H	HB	THR	V	157
R	S	CA	PHE	A	45	L	H	HG1	THR	V	157
R	S	C	PHE	A	45	L	-	HD2	LYS	V	29
R	S	C	PHE	A	45	L	-	HE3	LYS	V	29
R	S	C	PHE	A	45	L	-	HZ3	LYS	V	29
R	S	C	PHE	A	45	L	H	CB	THR	V	157
R	S	C	PHE	A	45	L	H	OG1	THR	V	157
R	S	C	PHE	A	45	L	H	HB	THR	V	157
R	S	C	PHE	A	45	L	H	HG1	THR	V	157
R	S	C	PHE	A	45	L	H	HG21	THR	V	157
R	S	CB	PHE	A	45	L	-	OD1	ASN	V	155
R	S	CB	PHE	A	45	L	-	HA	ASN	V	155
R	S	CB	PHE	A	45	L	H	OG1	THR	V	157
R	S	CB	PHE	A	45	L	H	H	THR	V	157
R	S	CB	PHE	A	45	L	H	HB	THR	V	157
R	S	CB	PHE	A	45	L	H	HG1	THR	V	157
R	S	O	PHE	A	45	L	-	CD	LYS	V	29
R	S	O	PHE	A	45	L	-	CE	LYS	V	29
R	S	O	PHE	A	45	L	-	NZ	LYS	V	29
R	S	O	PHE	A	45	L	-	HD2	LYS	V	29
R	S	O	PHE	A	45	L	-	HE3	LYS	V	29
R	S	O	PHE	A	45	L	-	HZ1	LYS	V	29
R	S	O	PHE	A	45	L	-	HZ2	LYS	V	29
R	S	O	PHE	A	45	L	-	HZ3	LYS	V	29
R	S	O	PHE	A	45	L	H	CB	THR	V	157
R	S	O	PHE	A	45	L	H	CG2	THR	V	157
R	S	O	PHE	A	45	L	H	OG1	THR	V	157
R	S	O	PHE	A	45	L	H	H	THR	V	157
R	S	O	PHE	A	45	L	H	HB	THR	V	157
R	S	O	PHE	A	45	L	H	HG1	THR	V	157
R	S	O	PHE	A	45	L	H	HG21	THR	V	157
R	S	O	PHE	A	45	L	H	HG23	THR	V	157
R	S	CG	PHE	A	45	L	-	OD1	ASN	V	155
R	S	CG	PHE	A	45	L	H	HB	THR	V	157
R	S	CG	PHE	A	45	L	H	HG1	THR	V	157
R	S	CD1	PHE	A	45	L	-	HB2	ASN	V	155
R	S	CD1	PHE	A	45	L	H	CB	THR	V	157
R	S	CD1	PHE	A	45	L	H	CG2	THR	V	157
R	S	CD1	PHE	A	45	L	H	HB	THR	V	157
R	S	CD1	PHE	A	45	L	H	HG1	THR	V	157
R	S	CD1	PHE	A	45	L	H	HG21	THR	V	157
R	S	CD1	PHE	A	45	L	H	HG22	THR	V	157
R	S	CD1	PHE	A	45	L	H	H	GLU	V	158
R	S	CD1	PHE	A	45	L	H	HB2	GLU	V	158
R	S	CD2	PHE	A	45	L	-	OD1	ASN	V	155
R	S	CE1	PHE	A	45	L	H	HB	THR	V	157
R	S	CE1	PHE	A	45	L	H	HB2	GLU	V	158
R	S	N	VAL	A	46	L	-	HE3	LYS	V	29
R	S	N	VAL	A	46	L	H	HG1	THR	V	157
R	S	N	VAL	A	46	L	H	HG21	THR	V	157
R	S	CA	VAL	A	46	L	-	HE3	LYS	V	29
R	S	CA	VAL	A	46	L	-	HZ3	LYS	V	29
R	S	CA	VAL	A	46	L	H	HG1	THR	V	157
R	S	CA	VAL	A	46	L	H	HG21	THR	V	157
R	S	C	VAL	A	46	L	H	HG21	THR	V	157
R	S	CB	VAL	A	46	L	-	CE	LYS	V	29
R	S	CB	VAL	A	46	L	-	HE3	LYS	V	29
R	S	CB	VAL	A	46	L	H	HG21	THR	V	157
R	S	CG1	VAL	A	46	L	-	HE3	LYS	V	29
R	S	CG2	VAL	A	46	L	-	HE3	LYS	V	29
R	S	N	ALA	A	47	L	H	HG21	THR	V	157
R	S	N	ALA	A	47	L	H	HE2	TYR	V	161
R	S	CA	ALA	A	47	L	H	HE2	TYR	V	161
R	S	C	ALA	A	47	L	H	HE2	TYR	V	161
R	S	CB	ALA	A	47	L	H	CE2	TYR	V	161
R	S	CB	ALA	A	47	L	H	HE2	TYR	V	161
R	S	O	ALA	A	47	L	S	O	THR	V	48
R	S	O	ALA	A	47	L	H	HE2	TYR	V	161
R	S	O	ALA	A	47	L	H	HH	TYR	V	161
R	S	N	VAL	A	49	L	S	HG21	THR	V	48
R	S	CA	VAL	A	49	L	-	OD1	ASP	V	51
R	S	CB	VAL	A	49	L	S	HG21	THR	V	48
R	S	CB	VAL	A	49	L	S	HG23	THR	V	48
R	S	CB	VAL	A	49	L	-	CG	ASP	V	51
R	S	CB	VAL	A	49	L	-	OD1	ASP	V	51
R	S	CB	VAL	A	49	L	-	H	ASP	V	51
R	S	CB	VAL	A	49	L	-	HA	ASP	V	51
R	S	O	VAL	A	49	L	S	HG21	THR	V	48
R	S	CG1	VAL	A	49	L	-	CB	ASP	V	51
R	S	CG1	VAL	A	49	L	-	CG	ASP	V	51
R	S	CG1	VAL	A	49	L	-	OD1	ASP	V	51
R	S	CG1	VAL	A	49	L	-	OD2	ASP	V	51
R	S	CG1	VAL	A	49	L	-	H	ASP	V	51
R	S	CG1	VAL	A	49	L	-	HA	ASP	V	51
R	S	CG2	VAL	A	49	L	S	HG23	THR	V	48
R	S	CG2	VAL	A	49	L	-	N	ASP	V	51
R	S	CG2	VAL	A	49	L	-	CG	ASP	V	51
R	S	CG2	VAL	A	49	L	-	OD1	ASP	V	51
R	S	CG2	VAL	A	49	L	-	H	ASP	V	51
R	S	CG2	VAL	A	49	L	-	HA	ASP	V	51
R	S	CG2	THR	A	56	L	-	CG	ASP	V	51
R	S	CG2	THR	A	56	L	-	OD1	ASP	V	51
R	S	CG2	THR	A	56	L	-	OD2	ASP	V	51
R	S	CD2	TRP	A	62	L	-	OD1	ASN	V	155
R	S	CE2	TRP	A	62	L	-	CG	ASN	V	155
R	S	CE2	TRP	A	62	L	-	OD1	ASN	V	155
R	S	CE2	TRP	A	62	L	-	HD22	ASN	V	155
R	S	CE3	TRP	A	62	L	-	OD1	ASN	V	155
R	S	CH2	TRP	A	62	L	-	N	ASN	V	155
R	S	CH2	TRP	A	62	L	-	CA	ASN	V	155
R	S	CH2	TRP	A	62	L	-	CB	ASN	V	155
R	S	CH2	TRP	A	62	L	-	CG	ASN	V	155
R	S	CH2	TRP	A	62	L	-	ND2	ASN	V	155
R	S	CH2	TRP	A	62	L	-	OD1	ASN	V	155
R	S	CH2	TRP	A	62	L	-	H	ASN	V	155
R	S	CH2	TRP	A	62	L	-	HA	ASN	V	155
R	S	CH2	TRP	A	62	L	-	HD21	ASN	V	155
R	S	CH2	TRP	A	62	L	-	HD22	ASN	V	155
R	S	CZ2	TRP	A	62	L	-	CB	ASN	V	155
R	S	CZ2	TRP	A	62	L	-	CG	ASN	V	155
R	S	CZ2	TRP	A	62	L	-	ND2	ASN	V	155
R	S	CZ2	TRP	A	62	L	-	OD1	ASN	V	155
R	S	CZ2	TRP	A	62	L	-	HD21	ASN	V	155
R	S	CZ2	TRP	A	62	L	-	HD22	ASN	V	155
R	S	CZ3	TRP	A	62	L	-	CG	ASN	V	155
R	S	CZ3	TRP	A	62	L	-	OD1	ASN	V	155
R	S	CZ3	TRP	A	62	L	-	H	ASN	V	155
R	S	CZ3	TRP	A	62	L	-	HA	ASN	V	155
R	H	OH	TYR	A	70	L	-	HZ2	TRP	V	33
R	H	CB	MET	A	73	L	-	OE1	GLU	V	153
R	H	CG	MET	A	73	L	-	OE1	GLU	V	153
R	H	SD	MET	A	73	L	-	CB	THR	V	151
R	H	SD	MET	A	73	L	-	CG2	THR	V	151
R	H	SD	MET	A	73	L	-	HB	THR	V	151
R	H	SD	MET	A	73	L	-	HG1	THR	V	151
R	H	SD	MET	A	73	L	-	HG21	THR	V	151
R	H	SD	MET	A	73	L	-	HG23	THR	V	151
R	H	CE	MET	A	73	L	-	CB	THR	V	151
R	H	CE	MET	A	73	L	-	CG2	THR	V	151
R	H	CE	MET	A	73	L	-	HA	THR	V	151
R	H	CE	MET	A	73	L	-	HB	THR	V	151
R	H	CE	MET	A	73	L	-	HG21	THR	V	151
R	H	CE	MET	A	73	L	-	HG23	THR	V	151
R	H	CD1	ILE	A	76	L	-	OE1	GLU	V	153
R	H	CD1	TYR	A	77	L	-	HG2	GLU	V	153
R	H	CE1	TYR	A	77	L	-	CA	GLU	V	153
R	H	CE1	TYR	A	77	L	-	CG	GLU	V	153
R	H	CE1	TYR	A	77	L	-	HA	GLU	V	153
R	H	CE1	TYR	A	77	L	-	HG2	GLU	V	153
R	H	CE1	TYR	A	77	L	-	HG3	GLU	V	153
R	H	CE2	TYR	A	77	L	-	CG	GLU	V	153
R	H	CE2	TYR	A	77	L	-	HG2	GLU	V	153
R	H	CE2	TYR	A	77	L	-	HG3	GLU	V	153
R	H	OH	TYR	A	77	L	-	C	THR	V	151
R	H	OH	TYR	A	77	L	-	O	THR	V	151
R	H	OH	TYR	A	77	L	-	OG1	THR	V	151
R	H	OH	TYR	A	77	L	-	HB	THR	V	151
R	H	OH	TYR	A	77	L	-	HG1	THR	V	151
R	H	OH	TYR	A	77	L	-	C	GLY	V	152
R	H	OH	TYR	A	77	L	-	O	GLY	V	152
R	H	OH	TYR	A	77	L	-	N	GLU	V	153
R	H	OH	TYR	A	77	L	-	CA	GLU	V	153
R	H	OH	TYR	A	77	L	-	CB	GLU	V	153
R	H	OH	TYR	A	77	L	-	CG	GLU	V	153
R	H	OH	TYR	A	77	L	-	CD	GLU	V	153
R	H	OH	TYR	A	77	L	-	OE1	GLU	V	153
R	H	OH	TYR	A	77	L	-	H	GLU	V	153
R	H	OH	TYR	A	77	L	-	HA	GLU	V	153
R	H	OH	TYR	A	77	L	-	HB2	GLU	V	153
R	H	OH	TYR	A	77	L	-	HB3	GLU	V	153
R	H	OH	TYR	A	77	L	-	HG2	GLU	V	153
R	H	OH	TYR	A	77	L	-	HG3	GLU	V	153
R	H	CZ	TYR	A	77	L	-	N	GLU	V	153
R	H	CZ	TYR	A	77	L	-	CA	GLU	V	153
R	H	CZ	TYR	A	77	L	-	CG	GLU	V	153
R	H	CZ	TYR	A	77	L	-	HA	GLU	V	153
R	H	CZ	TYR	A	77	L	-	HG2	GLU	V	153
R	H	CZ	TYR	A	77	L	-	HG3	GLU	V	153

- 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