CoeSFMs: Coenzymes Binding Structural & Functional Motifs

Finding CoeSFMs for the coenzyme/vitamin 'B12' ...

Ligand: ID

Full Name

Formula

Chemistry

B12

COBALAMIN

C62 H89 CO N13 O14 P (2+)

B12

There are 8 CoeSFMs:

Nbr of Motifs
per PDB entry

PDB Entry

Title

Determination Method

Resolution

R-Factor

2XIJ

Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin

x-ray

1.95

0.160

Motif No./Chain

Motif

Bound Ligand
/(Nbr. in PDB)

Show Details

1 / A

> Structure: LHLHLLHLLLLLLHLLLHSLLLSLSLLLL +23w
> Sequence: FLHAVRTEAGWEALGQDGHDRGIFGSLAAGGVFGPGT

B12
/(800)

[+]

> Graphics rep1:

[+]

> Graphics rep2:

[+]

Protein Chain	Prot SSE	Res Nbr	Res Name	RsAt.Name	LgAt.Name	Lg Chain	Lg Nbr	Bnd Len	Bnd Type
A	No SSE	138	PHE	O	N40	A	800	3.6	H.Bond
A	139-144 H: 1	140	LEU	CD1	C43	A	800	3.79	van der Waals
A	139-144 H: 1	140	LEU	CD1	O44	A	800	3.72	van der Waals
A	139-144 H: 1	140	LEU	CD1	N45	A	800	3.78	H.Bond
A	139-144 H: 1	140	LEU	CD2	O44	A	800	3.68	van der Waals
A	139-144 H: 1	143	HIS	CD2	O39	A	800	3.97	van der Waals
A	139-144 H: 1	143	HIS	NE2	O39	A	800	3.59	H.Bond
A	No SSE	160	ALA	CA	N40	A	800	3.96	H.Bond
A	No SSE	160	ALA	C	N40	A	800	3.84	H.Bond
A	No SSE	160	ALA	O	N40	A	800	3.32	H.Bond
A	No SSE	160	ALA	CB	C36	A	800	3.46	van der Waals
A	No SSE	160	ALA	CB	C38	A	800	3.92	van der Waals
A	No SSE	160	ALA	CB	N40	A	800	3.17	H.Bond
A	221-227 H: 1	227	VAL	C	N52	A	800	3.82	H.Bond
A	221-227 H: 1	227	VAL	O	C49	A	800	3.78	van der Waals
A	221-227 H: 1	227	VAL	O	C50	A	800	3.65	van der Waals
A	221-227 H: 1	227	VAL	O	N52	A	800	2.76	H.Bond
A	No SSE	228	ARG	O	N45	A	800	2.97	H.Bond
A	No SSE	228	ARG	CG	C47	A	800	3.94	van der Waals
A	No SSE	228	ARG	CZ	O39	A	800	3.99	van der Waals
A	No SSE	228	ARG	NH2	C38	A	800	3.8	H.Bond
A	No SSE	228	ARG	NH2	O39	A	800	2.77	H.Bond
A	No SSE	230	THR	CG2	N45	A	800	3.4	H.Bond
A	263-270 H: 1	268	GLU	C	C53	A	800	3.93	van der Waals
A	263-270 H: 1	268	GLU	O	C53	A	800	3.39	van der Waals
A	263-270 H: 1	268	GLU	CB	C46	A	800	3.52	van der Waals
A	263-270 H: 1	268	GLU	CB	C53	A	800	3.65	van der Waals
A	263-270 H: 1	268	GLU	CG	C46	A	800	3.82	van der Waals
A	263-270 H: 1	268	GLU	OE1	C54	A	800	3.94	van der Waals
A	263-270 H: 1	269	ALA	CB	C49	A	800	3.84	van der Waals
A	263-270 H: 1	269	ALA	CB	N52	A	800	3.91	H.Bond
A	No SSE	355	GLY	C	C54	A	800	3.75	van der Waals
A	No SSE	355	GLY	O	C54	A	800	3.98	van der Waals
A	No SSE	356	TRP	N	C54	A	800	3.58	H.Bond
A	No SSE	356	TRP	CA	C54	A	800	3.69	van der Waals
A	No SSE	356	TRP	CD1	N59	A	800	3.8	H.Bond
A	No SSE	356	TRP	CD1	C1P	A	800	3.78	van der Waals
A	No SSE	356	TRP	NE1	C1P	A	800	3.63	H.Bond
A	No SSE	392	GLU	C	N29	A	800	3.82	H.Bond
A	No SSE	392	GLU	O	N29	A	800	3	H.Bond
A	No SSE	393	ALA	C	N29	A	800	3.67	H.Bond
A	No SSE	393	ALA	O	C26	A	800	3.87	van der Waals
A	No SSE	393	ALA	O	C27	A	800	3.93	van der Waals
A	No SSE	393	ALA	O	N29	A	800	3.23	H.Bond
A	No SSE	393	ALA	O	C60	A	800	3.01	van der Waals
A	No SSE	393	ALA	O	C61	A	800	3.43	van der Waals
A	No SSE	393	ALA	O	N62	A	800	3.41	H.Bond
A	No SSE	394	LEU	N	N29	A	800	3.9	H.Bond
A	No SSE	394	LEU	CA	N29	A	800	3.75	H.Bond
A	No SSE	394	LEU	C	N29	A	800	3.36	H.Bond
A	No SSE	394	LEU	O	N29	A	800	3.57	H.Bond
A	No SSE	394	LEU	CD2	C61	A	800	3.6	van der Waals
A	No SSE	394	LEU	CD2	O63	A	800	3.54	van der Waals
A	No SSE	394	LEU	CD2	N62	A	800	3.55	H.Bond
A	No SSE	395	GLY	N	N29	A	800	3.56	H.Bond
A	No SSE	395	GLY	C	N29	A	800	3.86	H.Bond
A	No SSE	395	GLY	O	C27	A	800	3.72	van der Waals
A	No SSE	395	GLY	O	O28	A	800	3.69	H.Bond
A	No SSE	395	GLY	O	N29	A	800	2.87	H.Bond
A	462-482 H: 1	476	GLN	OE1	O8R	A	800	3.96	H.Bond
A	462-482 H: 1	476	GLN	NE2	C3P	A	800	3.54	H.Bond
A	No SSE	625	ASP	CA	O44	A	800	3.92	van der Waals
A	No SSE	625	ASP	C	O44	A	800	3.82	van der Waals
A	No SSE	625	ASP	OD1	O44	A	800	3.78	H.Bond
A	No SSE	626	GLY	N	C43	A	800	3.47	H.Bond
A	No SSE	626	GLY	N	O44	A	800	2.83	H.Bond
A	No SSE	626	GLY	N	N45	A	800	3.5	H.Bond
A	No SSE	626	GLY	CA	C43	A	800	3.76	van der Waals
A	No SSE	626	GLY	CA	O44	A	800	3.57	van der Waals
A	No SSE	626	GLY	CA	N45	A	800	3.44	H.Bond
A	No SSE	626	GLY	C	O44	A	800	3.98	van der Waals
A	No SSE	626	GLY	C	N45	A	800	3.91	H.Bond
A	No SSE	627	HIS	N	O44	A	800	3.83	H.Bond
A	No SSE	627	HIS	CA	O51	A	800	3.73	van der Waals
A	No SSE	627	HIS	C	O51	A	800	3.83	van der Waals
A	No SSE	627	HIS	ND1	O44	A	800	3.99	H.Bond
A	No SSE	627	HIS	CD2	CO	A	800	3.14	van der Waals
A	No SSE	627	HIS	CD2	N21	A	800	3.79	H.Bond
A	No SSE	627	HIS	CD2	N22	A	800	3.88	H.Bond
A	No SSE	627	HIS	CD2	N23	A	800	3.52	H.Bond
A	No SSE	627	HIS	CD2	N24	A	800	3.38	H.Bond
A	No SSE	627	HIS	CD2	C20	A	800	3.92	van der Waals
A	No SSE	627	HIS	CD2	C11	A	800	3.92	van der Waals
A	No SSE	627	HIS	CD2	C48	A	800	3.59	van der Waals
A	No SSE	627	HIS	CD2	C14	A	800	3.38	van der Waals
A	No SSE	627	HIS	CD2	C15	A	800	3.73	van der Waals
A	No SSE	627	HIS	CD2	C16	A	800	3.92	van der Waals
A	No SSE	627	HIS	CE1	CO	A	800	3.08	van der Waals
A	No SSE	627	HIS	CE1	N21	A	800	2.99	H.Bond
A	No SSE	627	HIS	CE1	N22	A	800	2.88	H.Bond
A	No SSE	627	HIS	CE1	C20	A	800	3.68	van der Waals
A	No SSE	627	HIS	CE1	C4	A	800	3.71	van der Waals
A	No SSE	627	HIS	CE1	C5	A	800	3.92	van der Waals
A	No SSE	627	HIS	CE1	C6	A	800	3.66	van der Waals
A	No SSE	627	HIS	CE1	C41	A	800	3.79	van der Waals
A	No SSE	627	HIS	CE1	C42	A	800	3.98	van der Waals
A	No SSE	627	HIS	CE1	C9	A	800	3.68	van der Waals
A	No SSE	627	HIS	NE2	CO	A	800	2.13	H.Bond
A	No SSE	627	HIS	NE2	N21	A	800	2.62	H.Bond
A	No SSE	627	HIS	NE2	N22	A	800	2.65	H.Bond
A	No SSE	627	HIS	NE2	N23	A	800	3.08	H.Bond
A	No SSE	627	HIS	NE2	N24	A	800	2.96	H.Bond
A	No SSE	627	HIS	NE2	C1	A	800	3.57	H.Bond
A	No SSE	627	HIS	NE2	C20	A	800	3.37	H.Bond
A	No SSE	627	HIS	NE2	C4	A	800	3.7	H.Bond
A	No SSE	627	HIS	NE2	C6	A	800	3.78	H.Bond
A	No SSE	627	HIS	NE2	C9	A	800	3.47	H.Bond
A	No SSE	627	HIS	NE2	C10	A	800	3.86	H.Bond
A	No SSE	627	HIS	NE2	C11	A	800	3.58	H.Bond
A	No SSE	627	HIS	NE2	C14	A	800	3.5	H.Bond
A	No SSE	627	HIS	NE2	C16	A	800	3.92	H.Bond
A	No SSE	627	HIS	NE2	C19	A	800	3.83	H.Bond
A	628-641 H: 1	628	ASP	N	C50	A	800	3.8	H.Bond
A	628-641 H: 1	628	ASP	N	O51	A	800	3	H.Bond
A	628-641 H: 1	628	ASP	N	N52	A	800	3.96	H.Bond
A	628-641 H: 1	628	ASP	CA	O51	A	800	3.94	van der Waals
A	628-641 H: 1	628	ASP	C	O51	A	800	3.91	van der Waals
A	628-641 H: 1	628	ASP	CG	N52	A	800	3.75	H.Bond
A	628-641 H: 1	628	ASP	OD1	C50	A	800	3.55	van der Waals
A	628-641 H: 1	628	ASP	OD1	O51	A	800	3.49	H.Bond
A	628-641 H: 1	628	ASP	OD1	N52	A	800	2.74	H.Bond
A	628-641 H: 1	629	ARG	N	C50	A	800	3.99	H.Bond
A	628-641 H: 1	629	ARG	N	O51	A	800	3.06	H.Bond
A	628-641 H: 1	629	ARG	CA	O51	A	800	3.9	van der Waals
A	628-641 H: 1	629	ARG	CB	O51	A	800	3.61	van der Waals
A	628-641 H: 1	629	ARG	CB	O58	A	800	3.42	van der Waals
A	628-641 H: 1	629	ARG	CG	O58	A	800	3.87	van der Waals
A	628-641 H: 1	629	ARG	CD	O58	A	800	3.48	van der Waals
A	628-641 H: 1	630	GLY	N	O4	A	800	3.66	H.Bond
A	628-641 H: 1	630	GLY	CA	C2P	A	800	3.95	van der Waals
A	628-641 H: 1	630	GLY	CA	C3P	A	800	3.92	van der Waals
A	628-641 H: 1	630	GLY	CA	O4	A	800	3.37	van der Waals
A	628-641 H: 1	630	GLY	CA	P	A	800	3.96
A	628-641 H: 1	630	GLY	CA	O2	A	800	3.48	van der Waals
A	628-641 H: 1	634	ILE	CG1	O6R	A	800	3.75	van der Waals
A	628-641 H: 1	634	ILE	CG1	C4R	A	800	3.96	van der Waals
A	628-641 H: 1	634	ILE	CG1	C8B	A	800	3.66	van der Waals
A	628-641 H: 1	634	ILE	CG1	C6B	A	800	3.95	van der Waals
A	628-641 H: 1	634	ILE	CG1	C7B	A	800	3.61	van der Waals
A	628-641 H: 1	634	ILE	CG2	C5B	A	800	3.92	van der Waals
A	628-641 H: 1	634	ILE	CG2	C6B	A	800	3.97	van der Waals
A	628-641 H: 1	634	ILE	CD1	O6R	A	800	3.54	van der Waals
A	628-641 H: 1	634	ILE	CD1	C6B	A	800	3.91	van der Waals
A	628-641 H: 1	634	ILE	CD1	C7B	A	800	3.51	van der Waals
A	628-641 H: 1	638	PHE	CZ	C6M	A	800	3.94	van der Waals
A	668-673 S: 1	670	GLY	CA	C5M	A	800	3.56	van der Waals
A	668-673 S: 1	670	GLY	C	C5M	A	800	3.98	van der Waals
A	668-673 S: 1	672	SER	CA	N3B	A	800	3.81	H.Bond
A	668-673 S: 1	672	SER	CB	N3B	A	800	3.33	H.Bond
A	668-673 S: 1	672	SER	CB	C9B	A	800	3.94	van der Waals
A	668-673 S: 1	672	SER	CB	C4B	A	800	3.95	van der Waals
A	668-673 S: 1	672	SER	OG	C2B	A	800	3.57	van der Waals
A	668-673 S: 1	672	SER	OG	N3B	A	800	2.68	H.Bond
A	668-673 S: 1	672	SER	OG	C9B	A	800	3.69	van der Waals
A	No SSE	674	LEU	O	C20	A	800	3.92	van der Waals
A	No SSE	674	LEU	O	C30	A	800	3.5	van der Waals
A	No SSE	674	LEU	O	C32	A	800	3.72	van der Waals
A	No SSE	674	LEU	O	O34	A	800	3.93	H.Bond
A	No SSE	674	LEU	O	N33	A	800	3.73	H.Bond
A	No SSE	674	LEU	CD1	O4	A	800	3.95	van der Waals
A	No SSE	674	LEU	CD2	C20	A	800	3.97	van der Waals
A	No SSE	674	LEU	CD2	C56	A	800	3.81	van der Waals
A	No SSE	674	LEU	CD2	O4	A	800	3.47	van der Waals
A	No SSE	675	ALA	CA	N33	A	800	3.54	H.Bond
A	No SSE	675	ALA	C	N33	A	800	3.56	H.Bond
A	No SSE	675	ALA	O	N33	A	800	3.92	H.Bond
A	No SSE	676	ALA	N	N33	A	800	3.9	H.Bond
A	No SSE	676	ALA	CB	N33	A	800	3.68	H.Bond
A	698-703 S: 1	702	GLY	CA	N1B	A	800	3.85	H.Bond
A	698-703 S: 1	702	GLY	CA	C8B	A	800	3.69	van der Waals
A	698-703 S: 1	702	GLY	CA	C2B	A	800	3.87	van der Waals
A	698-703 S: 1	702	GLY	CA	N3B	A	800	3.72	H.Bond
A	698-703 S: 1	702	GLY	CA	C9B	A	800	3.58	van der Waals
A	698-703 S: 1	702	GLY	C	C2B	A	800	3.62	van der Waals
A	698-703 S: 1	702	GLY	C	N3B	A	800	3.58	H.Bond
A	698-703 S: 1	702	GLY	C	C9B	A	800	3.98	van der Waals
A	698-703 S: 1	702	GLY	O	N3B	A	800	3.98	H.Bond
A	698-703 S: 1	703	GLY	N	O7R	A	800	3.06	H.Bond
A	698-703 S: 1	703	GLY	N	N1B	A	800	3.68	H.Bond
A	698-703 S: 1	703	GLY	N	C2B	A	800	3.25	H.Bond
A	698-703 S: 1	703	GLY	N	N3B	A	800	3.68	H.Bond
A	698-703 S: 1	703	GLY	CA	O7R	A	800	3.18	van der Waals
A	698-703 S: 1	703	GLY	CA	C2B	A	800	3.76	van der Waals
A	698-703 S: 1	703	GLY	C	O7R	A	800	3.69	van der Waals
A	698-703 S: 1	703	GLY	O	O7R	A	800	3.55	H.Bond
A	No SSE	704	VAL	CG1	O34	A	800	3.76	van der Waals
A	No SSE	704	VAL	CG2	O63	A	800	3.4	van der Waals
A	720-722 S: 1	722	PHE	O	C2R	A	800	3.83	van der Waals
A	720-722 S: 1	722	PHE	O	O7R	A	800	3.49	H.Bond
A	720-722 S: 1	722	PHE	O	C1R	A	800	3.45	van der Waals
A	720-722 S: 1	722	PHE	O	N1B	A	800	3.71	H.Bond
A	720-722 S: 1	722	PHE	CB	C7B	A	800	3.61	van der Waals
A	720-722 S: 1	722	PHE	CG	C6M	A	800	3.92	van der Waals
A	720-722 S: 1	722	PHE	CD1	C6M	A	800	3.6	van der Waals
A	No SSE	723	GLY	CA	O7R	A	800	3.99	van der Waals
A	No SSE	723	GLY	C	C2R	A	800	3.67	van der Waals
A	No SSE	723	GLY	C	O7R	A	800	3.47	van der Waals
A	No SSE	723	GLY	O	C2R	A	800	3.31	van der Waals
A	No SSE	723	GLY	O	O7R	A	800	3.61	H.Bond
A	No SSE	723	GLY	O	C1R	A	800	3.9	van der Waals
A	No SSE	724	PRO	N	O7R	A	800	3.62	H.Bond
A	No SSE	724	PRO	CA	O7R	A	800	3.98	van der Waals
A	No SSE	725	GLY	C	O8R	A	800	3.93	van der Waals
A	No SSE	726	THR	N	O8R	A	800	3.43	H.Bond
A	No SSE	726	THR	CA	O8R	A	800	3.66	van der Waals
A	No SSE	726	THR	C	O8R	A	800	3.44	van der Waals
A	No SSE	726	THR	O	C5R	A	800	3.42	van der Waals
A	No SSE	726	THR	O	O8R	A	800	2.58	H.Bond
A	No SSE	726	THR	CB	C1R	A	800	3.81	van der Waals
A	No SSE	726	THR	CB	O6R	A	800	3.48	van der Waals
A	No SSE	726	THR	CB	O8R	A	800	3.64	van der Waals
A	No SSE	726	THR	OG1	C1R	A	800	3.99	van der Waals
A	No SSE	726	THR	CG2	O6R	A	800	3.8	van der Waals
A	Water	2064	HOH	O	C36	A	800	3.57	van der Waals
A	Water	2145	HOH	O	O39	A	800	3.97	H.Bond
A	Water	2145	HOH	O	N40	A	800	3.71	H.Bond
A	Water	2173	HOH	O	C9	A	800	3.97	van der Waals
A	Water	2173	HOH	O	C10	A	800	3.54	van der Waals
A	Water	2198	HOH	O	C54	A	800	3.97	van der Waals
A	Water	2253	HOH	O	C54	A	800	3.99	van der Waals
A	Water	2253	HOH	O	C60	A	800	3.89	van der Waals
A	Water	2253	HOH	O	C61	A	800	3.84	van der Waals
A	Water	2253	HOH	O	N62	A	800	2.87	H.Bond
A	Water	2254	HOH	O	N62	A	800	3.79	H.Bond
A	Water	2256	HOH	O	C1P	A	800	3.7	van der Waals
A	Water	2258	HOH	O	N62	A	800	3.62	H.Bond
A	Water	2277	HOH	O	N29	A	800	3.88	H.Bond
A	Water	2278	HOH	O	C54	A	800	3.46	van der Waals
A	Water	2278	HOH	O	C60	A	800	3.52	van der Waals
A	Water	2351	HOH	O	C1P	A	800	3.44	van der Waals
A	Water	2351	HOH	O	C3P	A	800	3.44	van der Waals
A	Water	2447	HOH	O	C43	A	800	3.73	van der Waals
A	Water	2447	HOH	O	O44	A	800	3.78	H.Bond
A	Water	2447	HOH	O	N45	A	800	2.85	H.Bond
A	Water	2449	HOH	O	C47	A	800	3.26	van der Waals
A	Water	2449	HOH	O	C48	A	800	3.52	van der Waals
A	Water	2449	HOH	O	C49	A	800	3.45	van der Waals
A	Water	2449	HOH	O	C50	A	800	3.41	van der Waals
A	Water	2449	HOH	O	N52	A	800	3.4	H.Bond
A	Water	2480	HOH	O	C30	A	800	3.37	van der Waals
A	Water	2480	HOH	O	N33	A	800	3.85	H.Bond
A	Water	2480	HOH	O	C5	A	800	3.87	van der Waals
A	Water	2488	HOH	O	C32	A	800	3.96	van der Waals
A	Water	2488	HOH	O	O34	A	800	3	H.Bond
A	Water	2508	HOH	O	C37	A	800	3.65	van der Waals
A	Water	2508	HOH	O	C38	A	800	3.28	van der Waals
A	Water	2508	HOH	O	O39	A	800	3.89	H.Bond
A	Water	2508	HOH	O	N40	A	800	3.06	H.Bond
A	Water	3001	HOH	O	O3	A	800	3.73	H.Bond
A	Water	3001	HOH	O	C3R	A	800	3.96	van der Waals
A	Water	3001	HOH	O	C5R	A	800	3.65	van der Waals
A	Water	3001	HOH	O	O8R	A	800	2.69	H.Bond
A	Water	3002	HOH	O	C48	A	800	3.68	van der Waals
A	Water	3002	HOH	O	C50	A	800	3.77	van der Waals
A	Water	3002	HOH	O	O51	A	800	2.72	H.Bond
A	Water	3002	HOH	O	C56	A	800	3.42	van der Waals
A	Water	3002	HOH	O	C57	A	800	3.35	van der Waals
A	Water	3002	HOH	O	O58	A	800	2.66	H.Bond
A	Water	3003	HOH	O	C56	A	800	3.91	van der Waals
A	Water	3003	HOH	O	C57	A	800	3.91	van der Waals
A	Water	3003	HOH	O	N59	A	800	3.08	H.Bond
A	Water	3003	HOH	O	C61	A	800	3.54	van der Waals
A	Water	3003	HOH	O	O63	A	800	2.82	H.Bond
A	Water	3003	HOH	O	N62	A	800	3.64	H.Bond
A	Water	3003	HOH	O	C1P	A	800	3.87	van der Waals
A	Water	3003	HOH	O	O3	A	800	3.13	H.Bond
A	Water	3003	HOH	O	O5	A	800	2.69	H.Bond
A	Water	3003	HOH	O	P	A	800	3.38
A	Water	3004	HOH	O	O58	A	800	3.8	H.Bond
A	Water	3004	HOH	O	O4	A	800	2.58	H.Bond
A	Water	3005	HOH	O	C30	A	800	3.69	van der Waals
A	Water	3005	HOH	O	C31	A	800	3.61	van der Waals
A	Water	3005	HOH	O	C32	A	800	3.55	van der Waals
A	Water	3005	HOH	O	N33	A	800	2.61	H.Bond
A	Water	3005	HOH	O	C35	A	800	3.89	van der Waals
A	Water	3006	HOH	O	C41	A	800	3.71	van der Waals
A	Water	3006	HOH	O	C43	A	800	3.69	van der Waals
A	Water	3006	HOH	O	O44	A	800	2.64	H.Bond
A	Water	3007	HOH	O	N59	A	800	3.97	H.Bond
A	Water	3007	HOH	O	C1P	A	800	3.79	van der Waals
A	Water	3007	HOH	O	C2P	A	800	3.98	van der Waals
A	Water	3007	HOH	O	O3	A	800	3.11	H.Bond
A	Water	3007	HOH	O	O5	A	800	3.77	H.Bond

Nbr of Motifs
per PDB entry

PDB Entry

Title

Determination Method

Resolution

R-Factor

2XIQ

Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl

x-ray

1.95

0.163

Motif No./Chain

Motif

Bound Ligand
/(Nbr. in PDB)

Show Details

1 / A

> Structure: SLHLHLLHLLLLLLLHLLLHSLLLSLSLLL +15w
> Sequence: YFLHAVRTYHEGWLEAGLQDGHDRGIFGSLAAGGVFGPT

B12
/(3001)

[+]

> Graphics rep1:

[+]

> Graphics rep2:

[+]

Protein Chain	Prot SSE	Res Nbr	Res Name	RsAt.Name	LgAt.Name	Lg Chain	Lg Nbr	Bnd Len	Bnd Type
A	106-111 S: 1	110	TYR	OH	C37	A	3001	3.68	van der Waals
A	106-111 S: 1	110	TYR	OH	C38	A	3001	3.21	van der Waals
A	106-111 S: 1	110	TYR	OH	O39	A	3001	3.65	H.Bond
A	106-111 S: 1	110	TYR	OH	N40	A	3001	3.02	H.Bond
A	No SSE	138	PHE	N	O39	A	3001	3.97	H.Bond
A	No SSE	138	PHE	C	O39	A	3001	3.9	van der Waals
A	No SSE	138	PHE	O	C38	A	3001	3.73	van der Waals
A	No SSE	138	PHE	O	O39	A	3001	2.86	H.Bond
A	No SSE	138	PHE	O	N40	A	3001	3.9	H.Bond
A	139-144 H: 1	140	LEU	CD1	O44	A	3001	3.42	van der Waals
A	139-144 H: 1	140	LEU	CD2	C36	A	3001	3.88	van der Waals
A	139-144 H: 1	140	LEU	CD2	C43	A	3001	3.61	van der Waals
A	139-144 H: 1	140	LEU	CD2	O44	A	3001	3.38	van der Waals
A	139-144 H: 1	140	LEU	CD2	N45	A	3001	3.85	H.Bond
A	139-144 H: 1	143	HIS	CD2	N40	A	3001	3.79	H.Bond
A	139-144 H: 1	143	HIS	CE1	N40	A	3001	3.74	H.Bond
A	139-144 H: 1	143	HIS	NE2	C38	A	3001	3.94	H.Bond
A	139-144 H: 1	143	HIS	NE2	N40	A	3001	2.98	H.Bond
A	No SSE	160	ALA	C	O39	A	3001	3.71	van der Waals
A	No SSE	160	ALA	O	C35	A	3001	3.52	van der Waals
A	No SSE	160	ALA	O	C38	A	3001	3.76	van der Waals
A	No SSE	160	ALA	O	O39	A	3001	2.81	H.Bond
A	No SSE	160	ALA	CB	C35	A	3001	3.68	van der Waals
A	No SSE	160	ALA	CB	C36	A	3001	3.79	van der Waals
A	221-227 H: 1	227	VAL	C	O51	A	3001	3.96	van der Waals
A	221-227 H: 1	227	VAL	O	C50	A	3001	3.83	van der Waals
A	221-227 H: 1	227	VAL	O	O51	A	3001	2.89	H.Bond
A	No SSE	228	ARG	O	N45	A	3001	3.05	H.Bond
A	No SSE	228	ARG	CG	C46	A	3001	3.77	van der Waals
A	No SSE	228	ARG	CZ	N40	A	3001	3.96	H.Bond
A	No SSE	228	ARG	NH2	C38	A	3001	3.97	H.Bond
A	No SSE	228	ARG	NH2	N40	A	3001	2.73	H.Bond
A	No SSE	228	ARG	NH2	C8	A	3001	3.79	H.Bond
A	No SSE	228	ARG	NH2	C41	A	3001	3.85	H.Bond
A	No SSE	230	THR	CG2	N45	A	3001	3.5	H.Bond
A	263-270 H: 1	264	TYR	CD2	C47	A	3001	3.98	van der Waals
A	263-270 H: 1	264	TYR	CE2	C47	A	3001	3.55	van der Waals
A	263-270 H: 1	265	HIS	CD2	C46	A	3001	3.93	van der Waals
A	263-270 H: 1	265	HIS	CD2	C47	A	3001	3.66	van der Waals
A	263-270 H: 1	268	GLU	O	C53	A	3001	3.67	van der Waals
A	263-270 H: 1	268	GLU	CB	C47	A	3001	3.78	van der Waals
A	263-270 H: 1	268	GLU	CB	C13	A	3001	3.92	van der Waals
A	263-270 H: 1	268	GLU	CB	C53	A	3001	3.83	van der Waals
A	263-270 H: 1	268	GLU	CG	C47	A	3001	3.88	van der Waals
A	263-270 H: 1	268	GLU	OE1	C54	A	3001	3.61	van der Waals
A	No SSE	355	GLY	CA	C54	A	3001	3.66	van der Waals
A	No SSE	355	GLY	C	C54	A	3001	3.23	van der Waals
A	No SSE	355	GLY	O	C54	A	3001	3.56	van der Waals
A	No SSE	355	GLY	O	N62	A	3001	3.14	H.Bond
A	No SSE	356	TRP	N	C54	A	3001	3.28	H.Bond
A	No SSE	356	TRP	CA	C54	A	3001	3.69	van der Waals
A	No SSE	356	TRP	CD1	N59	A	3001	3.67	H.Bond
A	No SSE	356	TRP	CD1	C1P	A	3001	3.46	van der Waals
A	No SSE	356	TRP	NE1	C1P	A	3001	3.55	H.Bond
A	No SSE	358	LEU	O	N62	A	3001	3.42	H.Bond
A	No SSE	392	GLU	CA	O28	A	3001	3.72	van der Waals
A	No SSE	392	GLU	C	O28	A	3001	3.64	van der Waals
A	No SSE	392	GLU	O	C25	A	3001	3.29	van der Waals
A	No SSE	392	GLU	O	C26	A	3001	3.52	van der Waals
A	No SSE	392	GLU	O	C27	A	3001	3.54	van der Waals
A	No SSE	392	GLU	O	O28	A	3001	2.85	H.Bond
A	No SSE	392	GLU	O	C60	A	3001	3.49	van der Waals
A	No SSE	392	GLU	O	C61	A	3001	3.98	van der Waals
A	No SSE	392	GLU	CG	C60	A	3001	3.86	van der Waals
A	No SSE	392	GLU	CG	N62	A	3001	3.95	H.Bond
A	No SSE	392	GLU	CD	C26	A	3001	3.86	van der Waals
A	No SSE	392	GLU	CD	C60	A	3001	3.97	van der Waals
A	No SSE	392	GLU	OE1	O28	A	3001	3.97	H.Bond
A	No SSE	392	GLU	OE2	C26	A	3001	3.29	van der Waals
A	No SSE	392	GLU	OE2	C27	A	3001	3.92	van der Waals
A	No SSE	392	GLU	OE2	C54	A	3001	3.49	van der Waals
A	No SSE	392	GLU	OE2	C60	A	3001	3.29	van der Waals
A	No SSE	393	ALA	CA	C61	A	3001	3.83	van der Waals
A	No SSE	393	ALA	CA	O63	A	3001	3.81	van der Waals
A	No SSE	393	ALA	CB	O63	A	3001	3.98	van der Waals
A	No SSE	393	ALA	CB	N62	A	3001	3.93	H.Bond
A	No SSE	395	GLY	CA	O34	A	3001	3.54	van der Waals
A	No SSE	395	GLY	C	O28	A	3001	3.53	van der Waals
A	No SSE	395	GLY	O	C27	A	3001	3.87	van der Waals
A	No SSE	395	GLY	O	O28	A	3001	2.8	H.Bond
A	No SSE	396	LEU	CD2	N29	A	3001	3.59	H.Bond
A	No SSE	396	LEU	CD2	C31	A	3001	3.7	van der Waals
A	462-481 H: 1	476	GLN	OE1	C3P	A	3001	3.46	van der Waals
A	462-481 H: 1	476	GLN	NE2	O8R	A	3001	3.87	H.Bond
A	No SSE	625	ASP	CA	O44	A	3001	3.92	van der Waals
A	No SSE	625	ASP	C	O44	A	3001	3.79	van der Waals
A	No SSE	625	ASP	OD1	O44	A	3001	3.79	H.Bond
A	No SSE	626	GLY	N	C43	A	3001	3.43	H.Bond
A	No SSE	626	GLY	N	O44	A	3001	2.77	H.Bond
A	No SSE	626	GLY	N	N45	A	3001	3.54	H.Bond
A	No SSE	626	GLY	CA	C43	A	3001	3.68	van der Waals
A	No SSE	626	GLY	CA	O44	A	3001	3.48	van der Waals
A	No SSE	626	GLY	CA	N45	A	3001	3.4	H.Bond
A	No SSE	626	GLY	C	C43	A	3001	3.92	van der Waals
A	No SSE	626	GLY	C	O44	A	3001	3.92	van der Waals
A	No SSE	626	GLY	C	N45	A	3001	3.83	H.Bond
A	No SSE	627	HIS	N	O44	A	3001	3.8	H.Bond
A	No SSE	627	HIS	CA	N52	A	3001	3.84	H.Bond
A	No SSE	627	HIS	C	N52	A	3001	3.89	H.Bond
A	No SSE	627	HIS	ND1	C42	A	3001	3.93	H.Bond
A	No SSE	627	HIS	ND1	O44	A	3001	3.67	H.Bond
A	No SSE	627	HIS	CD2	CO	A	3001	3.27	van der Waals
A	No SSE	627	HIS	CD2	N21	A	3001	3.6	H.Bond
A	No SSE	627	HIS	CD2	N23	A	3001	2.91	H.Bond
A	No SSE	627	HIS	CD2	C20	A	3001	3.95	van der Waals
A	No SSE	627	HIS	CD2	C48	A	3001	3.85	van der Waals
A	No SSE	627	HIS	CD2	C14	A	3001	3.52	van der Waals
A	No SSE	627	HIS	CD2	C15	A	3001	3.92	van der Waals
A	No SSE	627	HIS	CE1	CO	A	3001	3.57	van der Waals
A	No SSE	627	HIS	CE1	N21	A	3001	3.16	H.Bond
A	No SSE	627	HIS	CE1	N23	A	3001	3.98	H.Bond
A	No SSE	627	HIS	CE1	C20	A	3001	3.96	van der Waals
A	No SSE	627	HIS	CE1	C4	A	3001	3.83	van der Waals
A	No SSE	627	HIS	CE1	C5	A	3001	3.96	van der Waals
A	No SSE	627	HIS	CE1	C6	A	3001	3.83	van der Waals
A	No SSE	627	HIS	CE1	C42	A	3001	3.47	van der Waals
A	No SSE	627	HIS	CE1	O44	A	3001	3.76	van der Waals
A	No SSE	627	HIS	NE2	CO	A	3001	2.48	H.Bond
A	No SSE	627	HIS	NE2	N21	A	3001	2.54	H.Bond
A	No SSE	627	HIS	NE2	N22	A	3001	3.41	H.Bond
A	No SSE	627	HIS	NE2	N23	A	3001	2.78	H.Bond
A	No SSE	627	HIS	NE2	N24	A	3001	3.84	H.Bond
A	No SSE	627	HIS	NE2	C1	A	3001	3.64	H.Bond
A	No SSE	627	HIS	NE2	C20	A	3001	3.51	H.Bond
A	No SSE	627	HIS	NE2	C4	A	3001	3.59	H.Bond
A	No SSE	627	HIS	NE2	C5	A	3001	3.94	H.Bond
A	No SSE	627	HIS	NE2	C6	A	3001	3.67	H.Bond
A	No SSE	627	HIS	NE2	C42	A	3001	3.7	H.Bond
A	No SSE	627	HIS	NE2	C9	A	3001	3.72	H.Bond
A	No SSE	627	HIS	NE2	C11	A	3001	3.86	H.Bond
A	No SSE	627	HIS	NE2	C14	A	3001	3.82	H.Bond
A	628-642 H: 1	628	ASP	N	C50	A	3001	3.78	H.Bond
A	628-642 H: 1	628	ASP	N	O51	A	3001	3.83	H.Bond
A	628-642 H: 1	628	ASP	N	N52	A	3001	3.02	H.Bond
A	628-642 H: 1	628	ASP	CA	N52	A	3001	3.91	H.Bond
A	628-642 H: 1	628	ASP	C	N52	A	3001	3.82	H.Bond
A	628-642 H: 1	628	ASP	CG	O51	A	3001	3.74	van der Waals
A	628-642 H: 1	628	ASP	OD1	C50	A	3001	3.57	van der Waals
A	628-642 H: 1	628	ASP	OD1	O51	A	3001	2.86	H.Bond
A	628-642 H: 1	628	ASP	OD1	N52	A	3001	3.5	H.Bond
A	628-642 H: 1	629	ARG	N	C50	A	3001	3.98	H.Bond
A	628-642 H: 1	629	ARG	N	N52	A	3001	2.89	H.Bond
A	628-642 H: 1	629	ARG	CA	N52	A	3001	3.72	H.Bond
A	628-642 H: 1	629	ARG	CB	N52	A	3001	3.48	H.Bond
A	628-642 H: 1	629	ARG	CB	O58	A	3001	3.49	van der Waals
A	628-642 H: 1	629	ARG	CG	O58	A	3001	3.85	van der Waals
A	628-642 H: 1	629	ARG	CD	O58	A	3001	3.61	van der Waals
A	628-642 H: 1	630	GLY	N	O5	A	3001	3.61	H.Bond
A	628-642 H: 1	630	GLY	CA	C2P	A	3001	3.94	van der Waals
A	628-642 H: 1	630	GLY	CA	C3P	A	3001	3.98	van der Waals
A	628-642 H: 1	630	GLY	CA	O5	A	3001	3.33	van der Waals
A	628-642 H: 1	630	GLY	CA	P	A	3001	3.99
A	628-642 H: 1	630	GLY	CA	O2	A	3001	3.64	van der Waals
A	628-642 H: 1	634	ILE	CG1	O6R	A	3001	3.76	van der Waals
A	628-642 H: 1	634	ILE	CG1	C4R	A	3001	3.98	van der Waals
A	628-642 H: 1	634	ILE	CG1	C8B	A	3001	3.65	van der Waals
A	628-642 H: 1	634	ILE	CG1	C6B	A	3001	3.93	van der Waals
A	628-642 H: 1	634	ILE	CG1	C7B	A	3001	3.63	van der Waals
A	628-642 H: 1	634	ILE	CG2	C5B	A	3001	3.82	van der Waals
A	628-642 H: 1	634	ILE	CG2	C5M	A	3001	3.99	van der Waals
A	628-642 H: 1	634	ILE	CG2	C6B	A	3001	3.94	van der Waals
A	628-642 H: 1	634	ILE	CD1	O6R	A	3001	3.66	van der Waals
A	628-642 H: 1	634	ILE	CD1	C7B	A	3001	3.68	van der Waals
A	628-642 H: 1	638	PHE	CZ	C6M	A	3001	3.84	van der Waals
A	668-673 S: 1	670	GLY	CA	C5M	A	3001	3.5	van der Waals
A	668-673 S: 1	670	GLY	C	C5M	A	3001	3.84	van der Waals
A	668-673 S: 1	670	GLY	O	C5M	A	3001	3.89	van der Waals
A	668-673 S: 1	672	SER	CA	N3B	A	3001	3.67	H.Bond
A	668-673 S: 1	672	SER	CB	N3B	A	3001	3.29	H.Bond
A	668-673 S: 1	672	SER	CB	C9B	A	3001	3.88	van der Waals
A	668-673 S: 1	672	SER	CB	C4B	A	3001	3.86	van der Waals
A	668-673 S: 1	672	SER	OG	C2B	A	3001	3.67	van der Waals
A	668-673 S: 1	672	SER	OG	N3B	A	3001	2.77	H.Bond
A	668-673 S: 1	672	SER	OG	C9B	A	3001	3.77	van der Waals
A	No SSE	674	LEU	C	N33	A	3001	3.71	H.Bond
A	No SSE	674	LEU	O	C20	A	3001	3.52	van der Waals
A	No SSE	674	LEU	O	C30	A	3001	3.26	van der Waals
A	No SSE	674	LEU	O	C32	A	3001	3.96	van der Waals
A	No SSE	674	LEU	O	N33	A	3001	2.9	H.Bond
A	No SSE	674	LEU	CB	C20	A	3001	3.81	van der Waals
A	No SSE	674	LEU	CD1	O5	A	3001	3.67	van der Waals
A	No SSE	674	LEU	CD2	C20	A	3001	3.78	van der Waals
A	No SSE	674	LEU	CD2	C56	A	3001	3.57	van der Waals
A	No SSE	674	LEU	CD2	O5	A	3001	3.33	van der Waals
A	No SSE	675	ALA	CA	N33	A	3001	3.96	H.Bond
A	No SSE	675	ALA	C	N33	A	3001	3.83	H.Bond
A	No SSE	676	ALA	N	N33	A	3001	3.5	H.Bond
A	No SSE	676	ALA	CB	O34	A	3001	3.82	van der Waals
A	No SSE	676	ALA	CB	N33	A	3001	3.69	H.Bond
A	698-703 S: 1	702	GLY	CA	N1B	A	3001	3.72	H.Bond
A	698-703 S: 1	702	GLY	CA	C8B	A	3001	3.68	van der Waals
A	698-703 S: 1	702	GLY	CA	C2B	A	3001	3.71	van der Waals
A	698-703 S: 1	702	GLY	CA	N3B	A	3001	3.66	H.Bond
A	698-703 S: 1	702	GLY	CA	C9B	A	3001	3.64	van der Waals
A	698-703 S: 1	702	GLY	C	O7R	A	3001	3.99	van der Waals
A	698-703 S: 1	702	GLY	C	N1B	A	3001	3.92	H.Bond
A	698-703 S: 1	702	GLY	C	C2B	A	3001	3.43	van der Waals
A	698-703 S: 1	702	GLY	C	N3B	A	3001	3.48	H.Bond
A	698-703 S: 1	702	GLY	C	C9B	A	3001	3.99	van der Waals
A	698-703 S: 1	702	GLY	O	N3B	A	3001	3.72	H.Bond
A	698-703 S: 1	703	GLY	N	O7R	A	3001	2.88	H.Bond
A	698-703 S: 1	703	GLY	N	N1B	A	3001	3.71	H.Bond
A	698-703 S: 1	703	GLY	N	C2B	A	3001	3.24	H.Bond
A	698-703 S: 1	703	GLY	N	N3B	A	3001	3.77	H.Bond
A	698-703 S: 1	703	GLY	CA	O4	A	3001	3.89	van der Waals
A	698-703 S: 1	703	GLY	CA	O7R	A	3001	3.12	van der Waals
A	698-703 S: 1	703	GLY	CA	C2B	A	3001	3.78	van der Waals
A	698-703 S: 1	703	GLY	C	O7R	A	3001	3.69	van der Waals
A	698-703 S: 1	703	GLY	O	O7R	A	3001	3.54	H.Bond
A	No SSE	704	VAL	CG1	C25	A	3001	3.9	van der Waals
A	No SSE	704	VAL	CG1	N33	A	3001	3.91	H.Bond
A	No SSE	704	VAL	CG2	C20	A	3001	3.99	van der Waals
A	No SSE	704	VAL	CG2	O63	A	3001	3.44	van der Waals
A	720-722 S: 1	722	PHE	O	C2R	A	3001	3.49	van der Waals
A	720-722 S: 1	722	PHE	O	O7R	A	3001	3.16	H.Bond
A	720-722 S: 1	722	PHE	O	C1R	A	3001	3.2	van der Waals
A	720-722 S: 1	722	PHE	O	N1B	A	3001	3.6	H.Bond
A	720-722 S: 1	722	PHE	CB	C7B	A	3001	3.63	van der Waals
A	720-722 S: 1	722	PHE	CD2	C6M	A	3001	3.59	van der Waals
A	720-722 S: 1	722	PHE	CE2	C6M	A	3001	3.91	van der Waals
A	No SSE	723	GLY	CA	O7R	A	3001	3.94	van der Waals
A	No SSE	723	GLY	C	C2R	A	3001	3.65	van der Waals
A	No SSE	723	GLY	C	O7R	A	3001	3.46	van der Waals
A	No SSE	723	GLY	O	C2R	A	3001	3.31	van der Waals
A	No SSE	723	GLY	O	O7R	A	3001	3.61	H.Bond
A	No SSE	723	GLY	O	C1R	A	3001	3.97	van der Waals
A	No SSE	724	PRO	N	O7R	A	3001	3.67	H.Bond
A	No SSE	726	THR	N	O8R	A	3001	3.47	H.Bond
A	No SSE	726	THR	CA	O8R	A	3001	3.71	van der Waals
A	No SSE	726	THR	C	O8R	A	3001	3.53	van der Waals
A	No SSE	726	THR	O	C5R	A	3001	3.37	van der Waals
A	No SSE	726	THR	O	O8R	A	3001	2.65	H.Bond
A	No SSE	726	THR	CB	C1R	A	3001	3.75	van der Waals
A	No SSE	726	THR	CB	O6R	A	3001	3.51	van der Waals
A	No SSE	726	THR	CB	O8R	A	3001	3.65	van der Waals
A	No SSE	726	THR	OG1	C1R	A	3001	3.88	van der Waals
A	No SSE	726	THR	CG2	O6R	A	3001	3.8	van der Waals
A	Water	2058	HOH	O	C38	A	3001	3.61	van der Waals
A	Water	2058	HOH	O	O39	A	3001	3.56	H.Bond
A	Water	2058	HOH	O	N40	A	3001	3.04	H.Bond
A	Water	2102	HOH	O	C32	A	3001	3.76	van der Waals
A	Water	2102	HOH	O	O34	A	3001	2.9	H.Bond
A	Water	2217	HOH	O	C1P	A	3001	3.64	van der Waals
A	Water	2217	HOH	O	C3P	A	3001	3.6	van der Waals
A	Water	2238	HOH	O	O28	A	3001	3.71	H.Bond
A	Water	2241	HOH	O	O34	A	3001	3.57	H.Bond
A	Water	2296	HOH	O	O51	A	3001	3.76	H.Bond
A	Water	2405	HOH	O	C43	A	3001	3.78	van der Waals
A	Water	2405	HOH	O	O44	A	3001	3.76	H.Bond
A	Water	2405	HOH	O	N45	A	3001	2.97	H.Bond
A	Water	2406	HOH	O	N45	A	3001	3.79	H.Bond
A	Water	2406	HOH	O	C46	A	3001	3.56	van der Waals
A	Water	2406	HOH	O	C48	A	3001	3.53	van der Waals
A	Water	2406	HOH	O	C49	A	3001	3.62	van der Waals
A	Water	2406	HOH	O	C50	A	3001	3.6	van der Waals
A	Water	2406	HOH	O	O51	A	3001	3.49	H.Bond
A	Water	2453	HOH	O	C32	A	3001	3.87	van der Waals
A	Water	2453	HOH	O	O34	A	3001	3.73	H.Bond
A	Water	2453	HOH	O	N33	A	3001	3.12	H.Bond
A	Water	2487	HOH	O	N59	A	3001	3.96	H.Bond
A	Water	2487	HOH	O	C1P	A	3001	3.77	van der Waals
A	Water	2487	HOH	O	O3	A	3001	3.39	H.Bond
A	Water	2488	HOH	O	C56	A	3001	3.76	van der Waals
A	Water	2488	HOH	O	C57	A	3001	3.82	van der Waals
A	Water	2488	HOH	O	N59	A	3001	3	H.Bond
A	Water	2488	HOH	O	C61	A	3001	3.73	van der Waals
A	Water	2488	HOH	O	O63	A	3001	2.85	H.Bond
A	Water	2488	HOH	O	C1P	A	3001	3.8	van der Waals
A	Water	2488	HOH	O	O3	A	3001	3.25	H.Bond
A	Water	2488	HOH	O	O4	A	3001	2.89	H.Bond
A	Water	2488	HOH	O	P	A	3001	3.59
A	Water	2489	HOH	O	C32	A	3001	3.53	van der Waals
A	Water	2489	HOH	O	O34	A	3001	2.64	H.Bond
A	Water	2489	HOH	O	N33	A	3001	3.79	H.Bond
A	Water	2490	HOH	O	O3	A	3001	3.8	H.Bond
A	Water	2490	HOH	O	C3R	A	3001	3.97	van der Waals
A	Water	2490	HOH	O	C5R	A	3001	3.74	van der Waals
A	Water	2490	HOH	O	O8R	A	3001	2.65	H.Bond
A	Water	2491	HOH	O	O58	A	3001	3.82	H.Bond
A	Water	2491	HOH	O	O5	A	3001	2.72	H.Bond
A	Water	2492	HOH	O	C48	A	3001	3.75	van der Waals
A	Water	2492	HOH	O	C50	A	3001	3.93	van der Waals
A	Water	2492	HOH	O	N52	A	3001	2.82	H.Bond
A	Water	2492	HOH	O	C53	A	3001	3.72	van der Waals
A	Water	2492	HOH	O	C56	A	3001	3.52	van der Waals
A	Water	2492	HOH	O	C57	A	3001	3.37	van der Waals
A	Water	2492	HOH	O	O58	A	3001	2.62	H.Bond

2 / B

> Structure: SLLHLHLLHLLLLLLLHLLLHSLLLSLSLLLL +14w
> Sequence: YAFLHAVRTYHEAGWLEAGLQDGHDRGVIFGSLAAGGVFGPGT

B12
/(3001)

[+]

> Graphics rep1:

[+]

> Graphics rep2:

[+]

Protein Chain	Prot SSE	Res Nbr	Res Name	RsAt.Name	LgAt.Name	Lg Chain	Lg Nbr	Bnd Len	Bnd Type
B	106-111 S: 1	110	TYR	OH	C37	B	3001	3.66	van der Waals
B	106-111 S: 1	110	TYR	OH	C38	B	3001	3.22	van der Waals
B	106-111 S: 1	110	TYR	OH	O39	B	3001	3.68	H.Bond
B	106-111 S: 1	110	TYR	OH	N40	B	3001	3.08	H.Bond
B	No SSE	137	ALA	CB	O39	B	3001	3.94	van der Waals
B	No SSE	138	PHE	N	O39	B	3001	3.91	H.Bond
B	No SSE	138	PHE	O	C38	B	3001	3.81	van der Waals
B	No SSE	138	PHE	O	O39	B	3001	3.03	H.Bond
B	No SSE	138	PHE	O	N40	B	3001	3.87	H.Bond
B	139-144 H: 1	140	LEU	CD1	O44	B	3001	3.3	van der Waals
B	139-144 H: 1	140	LEU	CD2	C36	B	3001	3.96	van der Waals
B	139-144 H: 1	140	LEU	CD2	C43	B	3001	3.75	van der Waals
B	139-144 H: 1	140	LEU	CD2	O44	B	3001	3.58	van der Waals
B	139-144 H: 1	140	LEU	CD2	N45	B	3001	3.89	H.Bond
B	139-144 H: 1	143	HIS	CD2	N40	B	3001	3.73	H.Bond
B	139-144 H: 1	143	HIS	CE1	N40	B	3001	3.84	H.Bond
B	139-144 H: 1	143	HIS	NE2	N40	B	3001	2.97	H.Bond
B	No SSE	160	ALA	C	O39	B	3001	3.76	van der Waals
B	No SSE	160	ALA	O	C35	B	3001	3.6	van der Waals
B	No SSE	160	ALA	O	C38	B	3001	3.85	van der Waals
B	No SSE	160	ALA	O	O39	B	3001	2.84	H.Bond
B	No SSE	160	ALA	CB	C35	B	3001	3.62	van der Waals
B	No SSE	160	ALA	CB	C36	B	3001	3.75	van der Waals
B	221-227 H: 1	227	VAL	C	O51	B	3001	3.97	van der Waals
B	221-227 H: 1	227	VAL	O	C50	B	3001	3.86	van der Waals
B	221-227 H: 1	227	VAL	O	O51	B	3001	2.95	H.Bond
B	No SSE	228	ARG	O	N45	B	3001	3.08	H.Bond
B	No SSE	228	ARG	CG	C46	B	3001	3.87	van der Waals
B	No SSE	228	ARG	NH2	N40	B	3001	2.85	H.Bond
B	No SSE	228	ARG	NH2	C8	B	3001	3.74	H.Bond
B	No SSE	228	ARG	NH2	C41	B	3001	3.81	H.Bond
B	No SSE	230	THR	CG2	N45	B	3001	3.4	H.Bond
B	263-270 H: 1	264	TYR	CE2	C47	B	3001	3.6	van der Waals
B	263-270 H: 1	265	HIS	CB	C46	B	3001	3.98	van der Waals
B	263-270 H: 1	265	HIS	CD2	C46	B	3001	3.93	van der Waals
B	263-270 H: 1	265	HIS	CD2	C47	B	3001	3.78	van der Waals
B	263-270 H: 1	268	GLU	O	C53	B	3001	3.61	van der Waals
B	263-270 H: 1	268	GLU	CB	C47	B	3001	3.76	van der Waals
B	263-270 H: 1	268	GLU	CB	C13	B	3001	3.93	van der Waals
B	263-270 H: 1	268	GLU	CB	C53	B	3001	3.84	van der Waals
B	263-270 H: 1	268	GLU	CG	C47	B	3001	3.85	van der Waals
B	263-270 H: 1	268	GLU	OE1	C54	B	3001	3.53	van der Waals
B	263-270 H: 1	269	ALA	CB	C49	B	3001	3.91	van der Waals
B	No SSE	355	GLY	CA	C54	B	3001	3.68	van der Waals
B	No SSE	355	GLY	C	C54	B	3001	3.28	van der Waals
B	No SSE	355	GLY	C	N62	B	3001	3.95	H.Bond
B	No SSE	355	GLY	O	C54	B	3001	3.68	van der Waals
B	No SSE	355	GLY	O	N62	B	3001	3.1	H.Bond
B	No SSE	356	TRP	N	C54	B	3001	3.25	H.Bond
B	No SSE	356	TRP	CA	C54	B	3001	3.7	van der Waals
B	No SSE	356	TRP	CD1	N59	B	3001	3.65	H.Bond
B	No SSE	356	TRP	CD1	C1P	B	3001	3.49	van der Waals
B	No SSE	356	TRP	NE1	C1P	B	3001	3.58	H.Bond
B	No SSE	358	LEU	O	N62	B	3001	3.41	H.Bond
B	No SSE	392	GLU	CA	O28	B	3001	3.79	van der Waals
B	No SSE	392	GLU	C	O28	B	3001	3.7	van der Waals
B	No SSE	392	GLU	O	C25	B	3001	3.32	van der Waals
B	No SSE	392	GLU	O	C26	B	3001	3.54	van der Waals
B	No SSE	392	GLU	O	C27	B	3001	3.59	van der Waals
B	No SSE	392	GLU	O	O28	B	3001	2.9	H.Bond
B	No SSE	392	GLU	O	C60	B	3001	3.45	van der Waals
B	No SSE	392	GLU	O	C61	B	3001	3.96	van der Waals
B	No SSE	392	GLU	CG	C60	B	3001	3.83	van der Waals
B	No SSE	392	GLU	CG	N62	B	3001	3.94	H.Bond
B	No SSE	392	GLU	CD	C26	B	3001	3.84	van der Waals
B	No SSE	392	GLU	CD	C60	B	3001	3.97	van der Waals
B	No SSE	392	GLU	OE2	C26	B	3001	3.3	van der Waals
B	No SSE	392	GLU	OE2	C27	B	3001	3.99	van der Waals
B	No SSE	392	GLU	OE2	C54	B	3001	3.61	van der Waals
B	No SSE	392	GLU	OE2	C60	B	3001	3.3	van der Waals
B	No SSE	393	ALA	CA	C61	B	3001	3.78	van der Waals
B	No SSE	393	ALA	CA	O63	B	3001	3.8	van der Waals
B	No SSE	393	ALA	CB	C61	B	3001	3.97	van der Waals
B	No SSE	393	ALA	CB	O63	B	3001	3.87	van der Waals
B	No SSE	393	ALA	CB	N62	B	3001	3.84	H.Bond
B	No SSE	395	GLY	CA	O34	B	3001	3.59	van der Waals
B	No SSE	395	GLY	C	O28	B	3001	3.52	van der Waals
B	No SSE	395	GLY	O	C27	B	3001	3.83	van der Waals
B	No SSE	395	GLY	O	O28	B	3001	2.76	H.Bond
B	No SSE	396	LEU	CD2	N29	B	3001	3.48	H.Bond
B	No SSE	396	LEU	CD2	C31	B	3001	3.76	van der Waals
B	462-481 H: 1	476	GLN	OE1	C3P	B	3001	3.52	van der Waals
B	462-481 H: 1	476	GLN	NE2	O8R	B	3001	3.87	H.Bond
B	No SSE	625	ASP	CA	O44	B	3001	3.91	van der Waals
B	No SSE	625	ASP	C	O44	B	3001	3.8	van der Waals
B	No SSE	625	ASP	OD1	O44	B	3001	3.73	H.Bond
B	No SSE	626	GLY	N	C43	B	3001	3.47	H.Bond
B	No SSE	626	GLY	N	O44	B	3001	2.81	H.Bond
B	No SSE	626	GLY	N	N45	B	3001	3.58	H.Bond
B	No SSE	626	GLY	CA	C43	B	3001	3.77	van der Waals
B	No SSE	626	GLY	CA	O44	B	3001	3.55	van der Waals
B	No SSE	626	GLY	CA	N45	B	3001	3.51	H.Bond
B	No SSE	626	GLY	C	C43	B	3001	3.94	van der Waals
B	No SSE	626	GLY	C	O44	B	3001	3.91	van der Waals
B	No SSE	626	GLY	C	N45	B	3001	3.89	H.Bond
B	No SSE	627	HIS	N	C43	B	3001	3.95	H.Bond
B	No SSE	627	HIS	N	O44	B	3001	3.73	H.Bond
B	No SSE	627	HIS	CA	N52	B	3001	3.71	H.Bond
B	No SSE	627	HIS	C	N52	B	3001	3.79	H.Bond
B	No SSE	627	HIS	ND1	C42	B	3001	3.96	H.Bond
B	No SSE	627	HIS	ND1	O44	B	3001	3.68	H.Bond
B	No SSE	627	HIS	CD2	CO	B	3001	3.25	van der Waals
B	No SSE	627	HIS	CD2	N21	B	3001	3.63	H.Bond
B	No SSE	627	HIS	CD2	N23	B	3001	2.86	H.Bond
B	No SSE	627	HIS	CD2	C48	B	3001	3.81	van der Waals
B	No SSE	627	HIS	CD2	C14	B	3001	3.47	van der Waals
B	No SSE	627	HIS	CD2	C15	B	3001	3.84	van der Waals
B	No SSE	627	HIS	CE1	CO	B	3001	3.44	van der Waals
B	No SSE	627	HIS	CE1	N21	B	3001	3.03	H.Bond
B	No SSE	627	HIS	CE1	N22	B	3001	3.95	H.Bond
B	No SSE	627	HIS	CE1	N23	B	3001	3.92	H.Bond
B	No SSE	627	HIS	CE1	C20	B	3001	3.87	van der Waals
B	No SSE	627	HIS	CE1	C4	B	3001	3.73	van der Waals
B	No SSE	627	HIS	CE1	C5	B	3001	3.89	van der Waals
B	No SSE	627	HIS	CE1	C6	B	3001	3.78	van der Waals
B	No SSE	627	HIS	CE1	C42	B	3001	3.59	van der Waals
B	No SSE	627	HIS	CE1	O44	B	3001	3.88	van der Waals
B	No SSE	627	HIS	NE2	CO	B	3001	2.39	H.Bond
B	No SSE	627	HIS	NE2	N21	B	3001	2.49	H.Bond
B	No SSE	627	HIS	NE2	N22	B	3001	3.4	H.Bond
B	No SSE	627	HIS	NE2	N23	B	3001	2.73	H.Bond
B	No SSE	627	HIS	NE2	N24	B	3001	3.7	H.Bond
B	No SSE	627	HIS	NE2	C1	B	3001	3.58	H.Bond
B	No SSE	627	HIS	NE2	C20	B	3001	3.48	H.Bond
B	No SSE	627	HIS	NE2	C4	B	3001	3.57	H.Bond
B	No SSE	627	HIS	NE2	C5	B	3001	3.96	H.Bond
B	No SSE	627	HIS	NE2	C6	B	3001	3.71	H.Bond
B	No SSE	627	HIS	NE2	C42	B	3001	3.84	H.Bond
B	No SSE	627	HIS	NE2	C9	B	3001	3.76	H.Bond
B	No SSE	627	HIS	NE2	C11	B	3001	3.82	H.Bond
B	No SSE	627	HIS	NE2	C14	B	3001	3.75	H.Bond
B	No SSE	627	HIS	NE2	C19	B	3001	3.95	H.Bond
B	628-641 H: 1	628	ASP	N	C50	B	3001	3.76	H.Bond
B	628-641 H: 1	628	ASP	N	O51	B	3001	3.82	H.Bond
B	628-641 H: 1	628	ASP	N	N52	B	3001	2.96	H.Bond
B	628-641 H: 1	628	ASP	CA	N52	B	3001	3.9	H.Bond
B	628-641 H: 1	628	ASP	C	N52	B	3001	3.83	H.Bond
B	628-641 H: 1	628	ASP	CG	O51	B	3001	3.8	van der Waals
B	628-641 H: 1	628	ASP	OD1	C50	B	3001	3.67	van der Waals
B	628-641 H: 1	628	ASP	OD1	O51	B	3001	2.91	H.Bond
B	628-641 H: 1	628	ASP	OD1	N52	B	3001	3.64	H.Bond
B	628-641 H: 1	629	ARG	N	C50	B	3001	3.94	H.Bond
B	628-641 H: 1	629	ARG	N	N52	B	3001	2.94	H.Bond
B	628-641 H: 1	629	ARG	CA	N52	B	3001	3.78	H.Bond
B	628-641 H: 1	629	ARG	CB	N52	B	3001	3.53	H.Bond
B	628-641 H: 1	629	ARG	CB	O58	B	3001	3.48	van der Waals
B	628-641 H: 1	629	ARG	CG	O58	B	3001	3.93	van der Waals
B	628-641 H: 1	629	ARG	CD	O58	B	3001	3.68	van der Waals
B	628-641 H: 1	630	GLY	N	O5	B	3001	3.55	H.Bond
B	628-641 H: 1	630	GLY	CA	C2P	B	3001	3.88	van der Waals
B	628-641 H: 1	630	GLY	CA	C3P	B	3001	3.91	van der Waals
B	628-641 H: 1	630	GLY	CA	O5	B	3001	3.24	van der Waals
B	628-641 H: 1	630	GLY	CA	P	B	3001	3.95
B	628-641 H: 1	630	GLY	CA	O2	B	3001	3.61	van der Waals
B	628-641 H: 1	633	VAL	CG1	C3P	B	3001	3.96	van der Waals
B	628-641 H: 1	634	ILE	CG1	O6R	B	3001	3.71	van der Waals
B	628-641 H: 1	634	ILE	CG1	C4R	B	3001	3.9	van der Waals
B	628-641 H: 1	634	ILE	CG1	C8B	B	3001	3.68	van der Waals
B	628-641 H: 1	634	ILE	CG1	C6B	B	3001	3.99	van der Waals
B	628-641 H: 1	634	ILE	CG1	C7B	B	3001	3.69	van der Waals
B	628-641 H: 1	634	ILE	CG2	C5B	B	3001	3.77	van der Waals
B	628-641 H: 1	634	ILE	CG2	C5M	B	3001	3.94	van der Waals
B	628-641 H: 1	634	ILE	CG2	C6B	B	3001	3.92	van der Waals
B	628-641 H: 1	634	ILE	CD1	O6R	B	3001	3.44	van der Waals
B	628-641 H: 1	634	ILE	CD1	C4R	B	3001	3.98	van der Waals
B	628-641 H: 1	634	ILE	CD1	C8B	B	3001	3.91	van der Waals
B	628-641 H: 1	634	ILE	CD1	C6B	B	3001	3.78	van der Waals
B	628-641 H: 1	634	ILE	CD1	C7B	B	3001	3.43	van der Waals
B	628-641 H: 1	638	PHE	CZ	C6M	B	3001	3.98	van der Waals
B	668-673 S: 1	670	GLY	CA	C5M	B	3001	3.59	van der Waals
B	668-673 S: 1	670	GLY	C	C5M	B	3001	3.91	van der Waals
B	668-673 S: 1	670	GLY	O	C5M	B	3001	3.9	van der Waals
B	668-673 S: 1	672	SER	CA	N3B	B	3001	3.66	H.Bond
B	668-673 S: 1	672	SER	CB	N3B	B	3001	3.3	H.Bond
B	668-673 S: 1	672	SER	CB	C9B	B	3001	3.88	van der Waals
B	668-673 S: 1	672	SER	CB	C4B	B	3001	3.86	van der Waals
B	668-673 S: 1	672	SER	OG	C2B	B	3001	3.7	van der Waals
B	668-673 S: 1	672	SER	OG	N3B	B	3001	2.78	H.Bond
B	668-673 S: 1	672	SER	OG	C9B	B	3001	3.78	van der Waals
B	No SSE	674	LEU	C	N33	B	3001	3.6	H.Bond
B	No SSE	674	LEU	O	C20	B	3001	3.51	van der Waals
B	No SSE	674	LEU	O	C30	B	3001	3.21	van der Waals
B	No SSE	674	LEU	O	C32	B	3001	3.81	van der Waals
B	No SSE	674	LEU	O	N33	B	3001	2.7	H.Bond
B	No SSE	674	LEU	CB	C20	B	3001	3.83	van der Waals
B	No SSE	674	LEU	CD1	O5	B	3001	3.77	van der Waals
B	No SSE	674	LEU	CD2	C20	B	3001	3.77	van der Waals
B	No SSE	674	LEU	CD2	C56	B	3001	3.59	van der Waals
B	No SSE	674	LEU	CD2	O5	B	3001	3.49	van der Waals
B	No SSE	675	ALA	CA	N33	B	3001	3.9	H.Bond
B	No SSE	675	ALA	C	N33	B	3001	3.81	H.Bond
B	No SSE	676	ALA	N	N33	B	3001	3.54	H.Bond
B	No SSE	676	ALA	CB	O34	B	3001	3.86	van der Waals
B	No SSE	676	ALA	CB	N33	B	3001	3.76	H.Bond
B	698-703 S: 1	702	GLY	CA	N1B	B	3001	3.72	H.Bond
B	698-703 S: 1	702	GLY	CA	C8B	B	3001	3.65	van der Waals
B	698-703 S: 1	702	GLY	CA	C2B	B	3001	3.72	van der Waals
B	698-703 S: 1	702	GLY	CA	N3B	B	3001	3.67	H.Bond
B	698-703 S: 1	702	GLY	CA	C9B	B	3001	3.62	van der Waals
B	698-703 S: 1	702	GLY	C	N1B	B	3001	3.91	H.Bond
B	698-703 S: 1	702	GLY	C	C2B	B	3001	3.43	van der Waals
B	698-703 S: 1	702	GLY	C	N3B	B	3001	3.47	H.Bond
B	698-703 S: 1	702	GLY	C	C9B	B	3001	3.96	van der Waals
B	698-703 S: 1	702	GLY	O	N3B	B	3001	3.79	H.Bond
B	698-703 S: 1	703	GLY	N	O7R	B	3001	2.86	H.Bond
B	698-703 S: 1	703	GLY	N	N1B	B	3001	3.63	H.Bond
B	698-703 S: 1	703	GLY	N	C2B	B	3001	3.15	H.Bond
B	698-703 S: 1	703	GLY	N	N3B	B	3001	3.67	H.Bond
B	698-703 S: 1	703	GLY	CA	O4	B	3001	3.76	van der Waals
B	698-703 S: 1	703	GLY	CA	O7R	B	3001	3.01	van der Waals
B	698-703 S: 1	703	GLY	CA	C2B	B	3001	3.68	van der Waals
B	698-703 S: 1	703	GLY	C	O7R	B	3001	3.64	van der Waals
B	698-703 S: 1	703	GLY	O	O7R	B	3001	3.59	H.Bond
B	No SSE	704	VAL	CG1	C25	B	3001	3.87	van der Waals
B	No SSE	704	VAL	CG1	N33	B	3001	3.99	H.Bond
B	No SSE	704	VAL	CG2	C20	B	3001	3.83	van der Waals
B	No SSE	704	VAL	CG2	O63	B	3001	3.55	van der Waals
B	718-722 S: 1	722	PHE	O	C2R	B	3001	3.63	van der Waals
B	718-722 S: 1	722	PHE	O	O7R	B	3001	3.4	H.Bond
B	718-722 S: 1	722	PHE	O	C1R	B	3001	3.29	van der Waals
B	718-722 S: 1	722	PHE	O	N1B	B	3001	3.67	H.Bond
B	718-722 S: 1	722	PHE	CB	C7B	B	3001	3.7	van der Waals
B	718-722 S: 1	722	PHE	CD2	C6M	B	3001	3.57	van der Waals
B	718-722 S: 1	722	PHE	CE2	C6M	B	3001	3.89	van der Waals
B	No SSE	723	GLY	C	C2R	B	3001	3.69	van der Waals
B	No SSE	723	GLY	C	O7R	B	3001	3.55	van der Waals
B	No SSE	723	GLY	O	C2R	B	3001	3.31	van der Waals
B	No SSE	723	GLY	O	O7R	B	3001	3.66	H.Bond
B	No SSE	723	GLY	O	C1R	B	3001	3.97	van der Waals
B	No SSE	724	PRO	N	O7R	B	3001	3.77	H.Bond
B	No SSE	725	GLY	C	O8R	B	3001	3.98	van der Waals
B	No SSE	726	THR	N	O8R	B	3001	3.38	H.Bond
B	No SSE	726	THR	CA	O8R	B	3001	3.67	van der Waals
B	No SSE	726	THR	C	O8R	B	3001	3.51	van der Waals
B	No SSE	726	THR	O	C5R	B	3001	3.4	van der Waals
B	No SSE	726	THR	O	O8R	B	3001	2.65	H.Bond
B	No SSE	726	THR	CB	C1R	B	3001	3.76	van der Waals
B	No SSE	726	THR	CB	O6R	B	3001	3.47	van der Waals
B	No SSE	726	THR	CB	O8R	B	3001	3.68	van der Waals
B	No SSE	726	THR	OG1	C1R	B	3001	3.85	van der Waals
B	No SSE	726	THR	CG2	O6R	B	3001	3.79	van der Waals
B	Water	2077	HOH	O	C38	B	3001	3.67	van der Waals
B	Water	2077	HOH	O	O39	B	3001	3.69	H.Bond
B	Water	2077	HOH	O	N40	B	3001	3.06	H.Bond
B	Water	2132	HOH	O	C32	B	3001	3.91	van der Waals
B	Water	2132	HOH	O	O34	B	3001	3.05	H.Bond
B	Water	2197	HOH	O	N45	B	3001	3.89	H.Bond
B	Water	2197	HOH	O	C46	B	3001	3.56	van der Waals
B	Water	2197	HOH	O	C48	B	3001	3.49	van der Waals
B	Water	2197	HOH	O	C49	B	3001	3.62	van der Waals
B	Water	2197	HOH	O	C50	B	3001	3.59	van der Waals
B	Water	2197	HOH	O	O51	B	3001	3.57	H.Bond
B	Water	2313	HOH	O	O28	B	3001	3.66	H.Bond
B	Water	2390	HOH	O	C1P	B	3001	3.72	van der Waals
B	Water	2390	HOH	O	C3P	B	3001	3.63	van der Waals
B	Water	2427	HOH	O	O34	B	3001	3.64	H.Bond
B	Water	2526	HOH	O	C43	B	3001	3.91	van der Waals
B	Water	2526	HOH	O	O44	B	3001	3.86	H.Bond
B	Water	2526	HOH	O	N45	B	3001	3.07	H.Bond
B	Water	2576	HOH	O	O34	B	3001	3.87	H.Bond
B	Water	2576	HOH	O	N33	B	3001	3.29	H.Bond
B	Water	2606	HOH	O	O58	B	3001	3.77	H.Bond
B	Water	2606	HOH	O	O5	B	3001	2.53	H.Bond
B	Water	2607	HOH	O	C56	B	3001	3.69	van der Waals
B	Water	2607	HOH	O	C57	B	3001	3.79	van der Waals
B	Water	2607	HOH	O	N59	B	3001	3.02	H.Bond
B	Water	2607	HOH	O	C61	B	3001	3.72	van der Waals
B	Water	2607	HOH	O	O63	B	3001	2.78	H.Bond
B	Water	2607	HOH	O	C1P	B	3001	3.91	van der Waals
B	Water	2607	HOH	O	O3	B	3001	3.33	H.Bond
B	Water	2607	HOH	O	O4	B	3001	3.04	H.Bond
B	Water	2607	HOH	O	P	B	3001	3.66
B	Water	2608	HOH	O	C48	B	3001	3.73	van der Waals
B	Water	2608	HOH	O	C50	B	3001	3.8	van der Waals
B	Water	2608	HOH	O	N52	B	3001	2.65	H.Bond
B	Water	2608	HOH	O	C53	B	3001	3.64	van der Waals
B	Water	2608	HOH	O	C56	B	3001	3.6	van der Waals
B	Water	2608	HOH	O	C57	B	3001	3.39	van der Waals
B	Water	2608	HOH	O	O58	B	3001	2.59	H.Bond
B	Water	2609	HOH	O	C32	B	3001	3.59	van der Waals
B	Water	2609	HOH	O	O34	B	3001	2.71	H.Bond
B	Water	2609	HOH	O	N33	B	3001	3.86	H.Bond
B	Water	2610	HOH	O	O3	B	3001	3.79	H.Bond
B	Water	2610	HOH	O	C3R	B	3001	3.93	van der Waals
B	Water	2610	HOH	O	C5R	B	3001	3.6	van der Waals
B	Water	2610	HOH	O	O8R	B	3001	2.53	H.Bond
B	Water	2611	HOH	O	C1P	B	3001	3.98	van der Waals
B	Water	2611	HOH	O	O3	B	3001	3.37	H.Bond

Nbr of Motifs
per PDB entry

PDB Entry

Title

Determination Method

Resolution

R-Factor

3O0O

Thermotoga maritima Ribonucleotide Reductase, NrdJ, in complex with dTTP, GDP and Adenosylcobalamin

x-ray

1.90

0.204

Motif No./Chain

Motif

Bound Ligand
/(Nbr. in PDB)

Show Details

1 / A

> Structure: LHLLHLSSL +5w
> Sequence: RGCPGNFTNTYD

B12
/(1004)

[+]

> Graphics rep1:

[+]

> Graphics rep2:

[+]

Protein Chain	Prot SSE	Res Nbr	Res Name	RsAt.Name	LgAt.Name	Lg Chain	Lg Nbr	Bnd Len	Bnd Type
A	No SSE	208	ARG	C	C47	A	1004	3.73	van der Waals
A	No SSE	208	ARG	O	C47	A	1004	3.05	van der Waals
A	No SSE	208	ARG	CB	C47	A	1004	3.89	van der Waals
A	No SSE	208	ARG	NE	C43	A	1004	3.65	H.Bond
A	No SSE	208	ARG	NE	O44	A	1004	3.41	H.Bond
A	No SSE	208	ARG	NE	N45	A	1004	3.46	H.Bond
A	279-294 H: 1	294	GLY	O	N40	A	1004	3.59	H.Bond
A	No SSE	322	CYS	SG	C46	A	1004	3.57	van der Waals
A	No SSE	322	CYS	SG	N52	A	1004	3.94
A	No SSE	490	PRO	CB	C53	A	1004	3.86	van der Waals
A	491-498 H: 1	492	GLY	CA	C53	A	1004	3.7	van der Waals
A	491-498 H: 1	492	GLY	CA	C55	A	1004	3.66	van der Waals
A	491-498 H: 1	492	GLY	CA	O58	A	1004	3.92	van der Waals
A	491-498 H: 1	492	GLY	C	O58	A	1004	3.98	van der Waals
A	491-498 H: 1	492	GLY	O	C57	A	1004	3.93	van der Waals
A	491-498 H: 1	492	GLY	O	O58	A	1004	3.94	H.Bond
A	491-498 H: 1	492	GLY	O	N59	A	1004	3.8	H.Bond
A	491-498 H: 1	492	GLY	O	C1P	A	1004	3.37	van der Waals
A	491-498 H: 1	496	ASN	CG	C1P	A	1004	3.69	van der Waals
A	491-498 H: 1	496	ASN	OD1	N59	A	1004	3.73	H.Bond
A	491-498 H: 1	496	ASN	OD1	C1P	A	1004	3.02	van der Waals
A	No SSE	508	PHE	CB	N62	A	1004	3.81	H.Bond
A	No SSE	508	PHE	CG	C25	A	1004	3.89	van der Waals
A	No SSE	508	PHE	CD2	C25	A	1004	3.88	van der Waals
A	No SSE	508	PHE	CD2	O28	A	1004	3.74	van der Waals
A	No SSE	508	PHE	CE2	O28	A	1004	3.6	van der Waals
A	No SSE	508	PHE	CE2	C31	A	1004	3.95	van der Waals
A	No SSE	508	PHE	CZ	C31	A	1004	3.67	van der Waals
A	No SSE	508	PHE	CZ	C32	A	1004	3.91	van der Waals
A	No SSE	508	PHE	CZ	N33	A	1004	3.85	H.Bond
A	598-601 S: 1	598	THR	CB	N29	A	1004	3.46	H.Bond
A	598-601 S: 1	598	THR	OG1	N29	A	1004	3.9	H.Bond
A	598-601 S: 1	598	THR	CG2	C27	A	1004	3.99	van der Waals
A	598-601 S: 1	598	THR	CG2	N29	A	1004	3.66	H.Bond
A	598-601 S: 1	600	ASN	CG	O28	A	1004	3.71	van der Waals
A	598-601 S: 1	600	ASN	OD1	C27	A	1004	3.55	van der Waals
A	598-601 S: 1	600	ASN	OD1	O28	A	1004	2.68	H.Bond
A	598-601 S: 1	600	ASN	OD1	N29	A	1004	3.68	H.Bond
A	598-601 S: 1	600	ASN	ND2	N29	A	1004	3.72	H.Bond
A	624-629 S: -1	626	THR	CG2	N40	A	1004	3.48	H.Bond
A	624-629 S: -1	628	TYR	CB	C35	A	1004	3.67	van der Waals
A	624-629 S: -1	628	TYR	CG	C35	A	1004	3.17	van der Waals
A	624-629 S: -1	628	TYR	CD1	C35	A	1004	3.45	van der Waals
A	624-629 S: -1	628	TYR	CD1	C36	A	1004	3.97	van der Waals
A	624-629 S: -1	628	TYR	CD2	C35	A	1004	3.37	van der Waals
A	624-629 S: -1	628	TYR	CE1	C35	A	1004	3.87	van der Waals
A	624-629 S: -1	628	TYR	CE2	C31	A	1004	3.99	van der Waals
A	624-629 S: -1	628	TYR	CE2	N33	A	1004	3.82	H.Bond
A	624-629 S: -1	628	TYR	CE2	C35	A	1004	3.8	van der Waals
A	No SSE	630	ASP	OD2	N33	A	1004	3.67	H.Bond
A	Water	693	HOH	O	C27	A	1004	3.98	van der Waals
A	Water	693	HOH	O	N29	A	1004	2.89	H.Bond
A	Water	724	HOH	O	C54	A	1004	3.46	van der Waals
A	Water	726	HOH	O	C32	A	1004	3.61	van der Waals
A	Water	726	HOH	O	N33	A	1004	2.73	H.Bond
A	Water	780	HOH	O	C31	A	1004	3.39	van der Waals
A	Water	780	HOH	O	C32	A	1004	3.52	van der Waals
A	Water	780	HOH	O	N33	A	1004	2.75	H.Bond
A	Water	782	HOH	O	C37	A	1004	2.87	van der Waals
A	Water	782	HOH	O	C38	A	1004	2.87	van der Waals
A	Water	782	HOH	O	O39	A	1004	3.81	H.Bond
A	Water	782	HOH	O	N40	A	1004	2.54	H.Bond

2 / B

> Structure: HLLSHLLLHLSSL +16w
> Sequence: IRRRNGDCPGSNFTNTYL

B12
/(1004)

[+]

> Graphics rep1:

[+]

> Graphics rep2:

[+]

Protein Chain	Prot SSE	Res Nbr	Res Name	RsAt.Name	LgAt.Name	Lg Chain	Lg Nbr	Bnd Len	Bnd Type
B	16-27 H: 1	22	ILE	CD1	C3P	B	1004	3.8	van der Waals
B	16-27 H: 1	26	ARG	NH2	C3P	B	1004	3.62	H.Bond
B	No SSE	206	ARG	CZ	O5	B	1004	3.99	van der Waals
B	No SSE	206	ARG	CZ	C5R	B	1004	3.92	van der Waals
B	No SSE	206	ARG	NH1	O5	B	1004	3.04	H.Bond
B	No SSE	206	ARG	NH1	C5R	B	1004	3.92	H.Bond
B	No SSE	206	ARG	NH2	C3R	B	1004	3.52	H.Bond
B	No SSE	206	ARG	NH2	C2R	B	1004	3.96	H.Bond
B	No SSE	208	ARG	C	C47	B	1004	3.63	van der Waals
B	No SSE	208	ARG	O	C47	B	1004	3.09	van der Waals
B	No SSE	208	ARG	CG	C42	B	1004	3.99	van der Waals
B	No SSE	208	ARG	CG	C43	B	1004	3.73	van der Waals
B	No SSE	208	ARG	CG	N45	B	1004	3.34	H.Bond
B	No SSE	208	ARG	CG	C47	B	1004	3.96	van der Waals
B	No SSE	208	ARG	CD	C42	B	1004	3.89	van der Waals
B	No SSE	208	ARG	CD	C43	B	1004	3.57	van der Waals
B	No SSE	208	ARG	CD	O44	B	1004	3.9	van der Waals
B	No SSE	208	ARG	CD	N45	B	1004	3.66	H.Bond
B	No SSE	208	ARG	NH1	C43	B	1004	3.31	H.Bond
B	No SSE	208	ARG	NH1	O44	B	1004	2.9	H.Bond
B	No SSE	208	ARG	NH1	N45	B	1004	3.36	H.Bond
B	241-246 S: 1	242	ASN	ND2	C46	B	1004	3.68	H.Bond
B	279-294 H: 1	294	GLY	O	C38	B	1004	3.82	van der Waals
B	279-294 H: 1	294	GLY	O	O39	B	1004	3.83	H.Bond
B	279-294 H: 1	294	GLY	O	N40	B	1004	3.4	H.Bond
B	No SSE	295	ASP	CG	O39	B	1004	3.49	van der Waals
B	No SSE	295	ASP	OD1	C38	B	1004	3.42	van der Waals
B	No SSE	295	ASP	OD1	O39	B	1004	2.87	H.Bond
B	No SSE	295	ASP	OD1	N40	B	1004	3.2	H.Bond
B	No SSE	295	ASP	OD2	O39	B	1004	3.54	H.Bond
B	No SSE	322	CYS	SG	C46	B	1004	3.46	van der Waals
B	No SSE	322	CYS	SG	N52	B	1004	3.53
B	No SSE	490	PRO	CB	C53	B	1004	3.78	van der Waals
B	491-498 H: 1	492	GLY	CA	C53	B	1004	3.8	van der Waals
B	491-498 H: 1	492	GLY	CA	C55	B	1004	3.6	van der Waals
B	491-498 H: 1	492	GLY	CA	C57	B	1004	3.73	van der Waals
B	491-498 H: 1	492	GLY	CA	O58	B	1004	3.36	van der Waals
B	491-498 H: 1	492	GLY	C	C57	B	1004	3.87	van der Waals
B	491-498 H: 1	492	GLY	C	O58	B	1004	3.39	van der Waals
B	491-498 H: 1	492	GLY	C	C1P	B	1004	3.86	van der Waals
B	491-498 H: 1	492	GLY	O	C57	B	1004	3.73	van der Waals
B	491-498 H: 1	492	GLY	O	O58	B	1004	3.55	H.Bond
B	491-498 H: 1	492	GLY	O	N59	B	1004	3.55	H.Bond
B	491-498 H: 1	492	GLY	O	C1P	B	1004	3.1	van der Waals
B	491-498 H: 1	493	SER	N	O58	B	1004	3.99	H.Bond
B	491-498 H: 1	496	ASN	CG	C1P	B	1004	3.76	van der Waals
B	491-498 H: 1	496	ASN	OD1	N59	B	1004	3.79	H.Bond
B	491-498 H: 1	496	ASN	OD1	C1P	B	1004	3.01	van der Waals
B	No SSE	508	PHE	CB	N62	B	1004	3.54	H.Bond
B	No SSE	508	PHE	CD2	C25	B	1004	3.99	van der Waals
B	No SSE	508	PHE	CD2	N29	B	1004	3.99	H.Bond
B	No SSE	508	PHE	CE2	O28	B	1004	3.82	van der Waals
B	No SSE	508	PHE	CZ	C31	B	1004	3.91	van der Waals
B	No SSE	508	PHE	CZ	N33	B	1004	3.56	H.Bond
B	598-601 S: 1	598	THR	CB	N29	B	1004	3.78	H.Bond
B	598-601 S: 1	598	THR	CG2	C27	B	1004	3.92	van der Waals
B	598-601 S: 1	598	THR	CG2	O28	B	1004	3.85	van der Waals
B	598-601 S: 1	598	THR	CG2	N29	B	1004	3.96	H.Bond
B	598-601 S: 1	600	ASN	CG	O28	B	1004	3.98	van der Waals
B	598-601 S: 1	600	ASN	CG	N29	B	1004	3.88	H.Bond
B	598-601 S: 1	600	ASN	OD1	N29	B	1004	3.38	H.Bond
B	598-601 S: 1	600	ASN	ND2	C27	B	1004	3.67	H.Bond
B	598-601 S: 1	600	ASN	ND2	O28	B	1004	2.98	H.Bond
B	598-601 S: 1	600	ASN	ND2	N29	B	1004	3.54	H.Bond
B	624-629 S: -1	626	THR	CG2	N40	B	1004	3.72	H.Bond
B	624-629 S: -1	628	TYR	CB	C35	B	1004	3.75	van der Waals
B	624-629 S: -1	628	TYR	CG	C35	B	1004	3.32	van der Waals
B	624-629 S: -1	628	TYR	CD1	C35	B	1004	3.47	van der Waals
B	624-629 S: -1	628	TYR	CD2	C35	B	1004	3.71	van der Waals
B	624-629 S: -1	628	TYR	CE1	C35	B	1004	3.94	van der Waals
B	No SSE	633	LEU	CD1	C36	B	1004	3.82	van der Waals
B	Water	704	HOH	O	C54	B	1004	3.58	van der Waals
B	Water	705	HOH	O	C31	B	1004	3.8	van der Waals
B	Water	705	HOH	O	C32	B	1004	3.65	van der Waals
B	Water	705	HOH	O	N33	B	1004	2.66	H.Bond
B	Water	714	HOH	O	N29	B	1004	3.02	H.Bond
B	Water	724	HOH	O	N29	B	1004	3.46	H.Bond
B	Water	726	HOH	O	C49	B	1004	3.85	van der Waals
B	Water	726	HOH	O	C50	B	1004	3.69	van der Waals
B	Water	726	HOH	O	O51	B	1004	2.83	H.Bond
B	Water	726	HOH	O	C57	B	1004	3.93	van der Waals
B	Water	726	HOH	O	O58	B	1004	2.71	H.Bond
B	Water	726	HOH	O	O8R	B	1004	3.42	H.Bond
B	Water	736	HOH	O	C46	B	1004	3.61	van der Waals
B	Water	736	HOH	O	C50	B	1004	3.94	van der Waals
B	Water	736	HOH	O	N52	B	1004	2.95	H.Bond
B	Water	795	HOH	O	N45	B	1004	3.72	H.Bond
B	Water	798	HOH	O	O39	B	1004	3.93	H.Bond
B	Water	798	HOH	O	N40	B	1004	3.63	H.Bond
B	Water	812	HOH	O	C7	B	1004	3.99	van der Waals
B	Water	812	HOH	O	C37	B	1004	2.86	van der Waals
B	Water	812	HOH	O	C38	B	1004	2.9	van der Waals
B	Water	812	HOH	O	O39	B	1004	3.69	H.Bond
B	Water	812	HOH	O	N40	B	1004	2.82	H.Bond
B	Water	878	HOH	O	O39	B	1004	3.76	H.Bond
B	Water	878	HOH	O	C42	B	1004	3.23	van der Waals
B	Water	879	HOH	O	N40	B	1004	3.09	H.Bond
B	Water	880	HOH	O	N40	B	1004	3.31	H.Bond
B	Water	918	HOH	O	N45	B	1004	3.47	H.Bond
B	Water	947	HOH	O	C1R	B	1004	3.57	van der Waals
B	Water	947	HOH	O	O6R	B	1004	2.93	H.Bond
B	Water	947	HOH	O	C4R	B	1004	3.53	van der Waals
B	Water	947	HOH	O	C5R	B	1004	3.29	van der Waals
B	Water	947	HOH	O	O8R	B	1004	3.57	H.Bond
B	Water	950	HOH	O	O4	B	1004	3.71	H.Bond
B	Water	950	HOH	O	O2	B	1004	3.82	H.Bond
B	Water	950	HOH	O	C2R	B	1004	3.43	van der Waals
B	Water	950	HOH	O	O7R	B	1004	2.7	H.Bond
B	Water	955	HOH	O	C61	B	1004	3.95	van der Waals
B	Water	955	HOH	O	N62	B	1004	2.99	H.Bond

Nbr of Motifs
per PDB entry

PDB Entry

Title

Determination Method

Resolution

R-Factor

3GAH

STRUCTURE OF A F112H VARIANT PDUO-TYPE ATP:CORRINOID ADENOSYLTRANSFERASE FROM LACTOBACILLUS REUTERI COMPLEXED WI COBALAMIN AND ATP

X-RAY

1.17

0.161

Motif No./Chain

Motif

Bound Ligand
/(Nbr. in PDB)

Show Details

1 / A

> Structure: LLLSLLHH +9w
> Sequence: KITRIIYDFGH

B12
/(800)

[+]

> Graphics rep1:

[+]

> Graphics rep2:

[+]

Protein Chain	Prot SSE	Res Nbr	Res Name	RsAt.Name	LgAt.Name	Lg Chain	Lg Nbr	Bnd Len	Bnd Type
A	No SSE	2	LYS	C	N33	A	800	3.78	H.Bond
A	No SSE	2	LYS	O	C32	A	800	3.59	van der Waals
A	No SSE	2	LYS	O	N33	A	800	2.91	H.Bond
A	No SSE	2	LYS	O	N33	A	800	3.64	H.Bond
A	No SSE	3	ILE	CA	C32	A	800	3.96	van der Waals
A	No SSE	3	ILE	CA	O34	A	800	3.89	van der Waals
A	No SSE	3	ILE	O	C35	A	800	3.58	van der Waals
A	No SSE	3	ILE	O	C35	A	800	3.7	van der Waals
A	No SSE	3	ILE	CG2	O34	A	800	3.98	van der Waals
A	No SSE	5	THR	OG1	O28	A	800	3.75	H.Bond
A	No SSE	5	THR	CG2	O28	A	800	3.75	van der Waals
A	No SSE	5	THR	CG2	O28	A	800	3.69	van der Waals
A	No SSE	5	THR	CG2	N29	A	800	3.97	H.Bond
A	No SSE	5	THR	CG2	N29	A	800	3.7	H.Bond
A	12-14 S: 0	14	ARG	O	C54	A	800	3.74	van der Waals
A	12-14 S: 0	14	ARG	O	C54	A	800	3.69	van der Waals
A	12-14 S: 0	14	ARG	CB	N62	A	800	3.95	H.Bond
A	No SSE	15	ILE	C	N62	A	800	3.82	H.Bond
A	No SSE	15	ILE	O	N62	A	800	2.97	H.Bond
A	No SSE	16	ILE	CG1	C55	A	800	3.95	van der Waals
A	25-47 H: 1	31	TYR	CB	O51	A	800	3.65	van der Waals
A	25-47 H: 1	31	TYR	CG	O51	A	800	3.93	van der Waals
A	25-47 H: 1	31	TYR	CD1	C47	A	800	3.99	van der Waals
A	25-47 H: 1	31	TYR	CD1	C47	A	800	3.69	van der Waals
A	25-47 H: 1	31	TYR	CD1	O51	A	800	3.6	van der Waals
A	25-47 H: 1	31	TYR	CE1	C47	A	800	3.73	van der Waals
A	25-47 H: 1	35	ASP	CG	C46	A	800	3.6	van der Waals
A	25-47 H: 1	35	ASP	CG	C46	A	800	3.9	van der Waals
A	25-47 H: 1	35	ASP	OD1	C46	A	800	3.79	van der Waals
A	25-47 H: 1	35	ASP	OD2	C46	A	800	3.69	van der Waals
A	55-74 H: 1	67	PHE	CA	O51	A	800	3.7	van der Waals
A	55-74 H: 1	67	PHE	C	O51	A	800	3.71	van der Waals
A	55-74 H: 1	67	PHE	O	C50	A	800	3.91	van der Waals
A	55-74 H: 1	67	PHE	O	O51	A	800	2.9	H.Bond
A	55-74 H: 1	67	PHE	CD2	C49	A	800	3.76	van der Waals
A	55-74 H: 1	67	PHE	CD2	O51	A	800	3.46	van der Waals
A	55-74 H: 1	67	PHE	CZ	N45	A	800	3.71	H.Bond
A	55-74 H: 1	70	GLY	CA	C50	A	800	3.74	van der Waals
A	55-74 H: 1	70	GLY	CA	C50	A	800	3.75	van der Waals
A	55-74 H: 1	70	GLY	CA	O51	A	800	3.77	van der Waals
A	55-74 H: 1	70	GLY	CA	O51	A	800	3.24	van der Waals
A	55-74 H: 1	70	GLY	CA	N52	A	800	3.63	H.Bond
A	55-74 H: 1	70	GLY	C	C50	A	800	3.45	van der Waals
A	55-74 H: 1	70	GLY	C	C50	A	800	3.31	van der Waals
A	55-74 H: 1	70	GLY	C	O51	A	800	3.62	van der Waals
A	55-74 H: 1	70	GLY	C	O51	A	800	3.12	van der Waals
A	55-74 H: 1	70	GLY	C	N52	A	800	2.89	H.Bond
A	55-74 H: 1	70	GLY	C	N52	A	800	3.18	H.Bond
A	55-74 H: 1	70	GLY	O	C50	A	800	3.93	van der Waals
A	55-74 H: 1	70	GLY	O	C50	A	800	3.55	van der Waals
A	55-74 H: 1	70	GLY	O	O51	A	800	3.22	H.Bond
A	55-74 H: 1	70	GLY	O	N52	A	800	3	H.Bond
A	55-74 H: 1	70	GLY	O	N52	A	800	3.23	H.Bond
A	55-74 H: 1	71	HIS	N	C50	A	800	3.43	H.Bond
A	55-74 H: 1	71	HIS	N	C50	A	800	3.47	H.Bond
A	55-74 H: 1	71	HIS	N	O51	A	800	3.27	H.Bond
A	55-74 H: 1	71	HIS	N	O51	A	800	3.72	H.Bond
A	55-74 H: 1	71	HIS	N	N52	A	800	3	H.Bond
A	55-74 H: 1	71	HIS	N	N52	A	800	3.08	H.Bond
A	55-74 H: 1	71	HIS	CA	N52	A	800	3.35	H.Bond
A	55-74 H: 1	71	HIS	CA	N52	A	800	3.12	H.Bond
A	55-74 H: 1	71	HIS	CB	N52	A	800	3.97	H.Bond
A	Water	209	HOH	O	O34	A	800	3.28	H.Bond
A	Water	258	HOH	O	C26	A	800	3.83	van der Waals
A	Water	258	HOH	O	C27	A	800	3.8	van der Waals
A	Water	258	HOH	O	N29	A	800	3.85	H.Bond
A	Water	268	HOH	O	C46	A	800	3.99	van der Waals
A	Water	268	HOH	O	C46	A	800	3.82	van der Waals
A	Water	268	HOH	O	C49	A	800	3.21	van der Waals
A	Water	268	HOH	O	C49	A	800	3.92	van der Waals
A	Water	268	HOH	O	C50	A	800	3.6	van der Waals
A	Water	268	HOH	O	C50	A	800	3.67	van der Waals
A	Water	268	HOH	O	O51	A	800	3.95	H.Bond
A	Water	268	HOH	O	O51	A	800	2.8	H.Bond
A	Water	287	HOH	O	C2P	A	800	3.88	van der Waals
A	Water	292	HOH	O	N52	A	800	3.68	H.Bond
A	Water	292	HOH	O	C53	A	800	3.1	van der Waals
A	Water	292	HOH	O	C53	A	800	3.91	van der Waals
A	Water	292	HOH	O	C55	A	800	3.9	van der Waals
A	Water	292	HOH	O	C55	A	800	3.62	van der Waals
A	Water	292	HOH	O	C56	A	800	3.81	van der Waals
A	Water	292	HOH	O	C56	A	800	3.97	van der Waals
A	Water	292	HOH	O	C57	A	800	3.62	van der Waals
A	Water	292	HOH	O	C57	A	800	3.11	van der Waals
A	Water	292	HOH	O	O58	A	800	2.78	H.Bond
A	Water	292	HOH	O	O58	A	800	1.91	H.Bond, Covalent
A	Water	332	HOH	O	C26	A	800	3.76	van der Waals
A	Water	332	HOH	O	C27	A	800	3.81	van der Waals
A	Water	332	HOH	O	N29	A	800	3.11	H.Bond
A	Water	332	HOH	O	N29	A	800	3.52	H.Bond
A	Water	332	HOH	O	C60	A	800	2.97	van der Waals
A	Water	332	HOH	O	C60	A	800	3.55	van der Waals
A	Water	332	HOH	O	C61	A	800	3.23	van der Waals
A	Water	332	HOH	O	O63	A	800	3.66	H.Bond
A	Water	332	HOH	O	N62	A	800	3.73	H.Bond
A	Water	332	HOH	O	N62	A	800	3.44	H.Bond
A	Water	375	HOH	O	C42	A	800	3.83	van der Waals
A	Water	375	HOH	O	C42	A	800	3.51	van der Waals
A	Water	375	HOH	O	C43	A	800	3.83	van der Waals
A	Water	375	HOH	O	C43	A	800	3.5	van der Waals
A	Water	375	HOH	O	N45	A	800	2.97	H.Bond
A	Water	375	HOH	O	N45	A	800	2.96	H.Bond
A	Water	380	HOH	O	N33	A	800	3.58	H.Bond
A	Water	380	HOH	O	N33	A	800	3.64	H.Bond
A	Water	395	HOH	O	C27	A	800	3.35	van der Waals
A	Water	395	HOH	O	C27	A	800	3.75	van der Waals
A	Water	395	HOH	O	O28	A	800	3.58	H.Bond
A	Water	395	HOH	O	O28	A	800	3.95	H.Bond
A	Water	395	HOH	O	N29	A	800	2.45	H.Bond
A	Water	395	HOH	O	N29	A	800	2.95	H.Bond

Nbr of Motifs
per PDB entry

PDB Entry

Title

Determination Method

Resolution

R-Factor

4RAS

Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation

X-ray

2.30

0.182

Motif No./Chain

Motif

Bound Ligand
/(Nbr. in PDB)

Show Details

1 / A

> Structure: LHLLHLLHSLLLSSSSLLHLH +15w
> Sequence: VDFFYQSYSVIHNPIVIDTLSKSFYIKAVCTRCGM

B12
/(803)

[+]

> Graphics rep1:

[+]

> Graphics rep2:

[+]

Protein Chain	Prot SSE	Res Nbr	Res Name	RsAt.Name	LgAt.Name	Lg Chain	Lg Nbr	Bnd Len	Bnd Type
A	No SSE	276	VAL	CG2	C5M	A	803	3.73	van der Waals
A	289-297 H: 1	289	ASP	CA	N59	A	803	3.6	H.Bond
A	289-297 H: 1	289	ASP	CB	O58	A	803	3.89	van der Waals
A	289-297 H: 1	289	ASP	CB	N59	A	803	3.98	H.Bond
A	289-297 H: 1	289	ASP	CG	C53	A	803	3.71	van der Waals
A	289-297 H: 1	289	ASP	OD1	C53	A	803	3.45	van der Waals
A	289-297 H: 1	289	ASP	OD2	C54	A	803	3.9	van der Waals
A	289-297 H: 1	290	PHE	N	O51	A	803	3.22	H.Bond
A	289-297 H: 1	290	PHE	CB	C48	A	803	3.69	van der Waals
A	289-297 H: 1	290	PHE	CB	O51	A	803	3.58	van der Waals
A	289-297 H: 1	290	PHE	CG	O51	A	803	3.99	van der Waals
A	289-297 H: 1	290	PHE	CD1	O51	A	803	3.55	van der Waals
A	289-297 H: 1	291	PHE	CD2	C53	A	803	3.66	van der Waals
A	289-297 H: 1	291	PHE	CE1	C46	A	803	3.8	van der Waals
A	289-297 H: 1	291	PHE	CE2	C14	A	803	3.83	van der Waals
A	289-297 H: 1	291	PHE	CE2	C15	A	803	3.82	van der Waals
A	289-297 H: 1	291	PHE	CE2	C53	A	803	3.94	van der Waals
A	289-297 H: 1	291	PHE	CZ	C46	A	803	3.53	van der Waals
A	No SSE	379	TYR	CE1	O58	A	803	3.21	van der Waals
A	No SSE	379	TYR	CZ	O58	A	803	3.17	van der Waals
A	No SSE	379	TYR	OH	C55	A	803	3.78	van der Waals
A	No SSE	379	TYR	OH	C57	A	803	3.55	van der Waals
A	No SSE	379	TYR	OH	O58	A	803	2.39	H.Bond
A	No SSE	379	TYR	OH	N62	A	803	3.41	H.Bond
A	No SSE	403	GLN	NE2	O39	A	803	3.39	H.Bond
A	417-443 H: 1	422	SER	OG	C38	A	803	3.75	van der Waals
A	417-443 H: 1	422	SER	OG	O39	A	803	3.53	H.Bond
A	417-443 H: 1	422	SER	OG	N40	A	803	3.43	H.Bond
A	417-443 H: 1	426	TYR	CE1	C27	A	803	3.8	van der Waals
A	417-443 H: 1	426	TYR	CE1	N29	A	803	3.63	H.Bond
A	417-443 H: 1	426	TYR	OH	C26	A	803	3.63	van der Waals
A	No SSE	455	SER	CB	N62	A	803	3.93	H.Bond
A	No SSE	455	SER	OG	N62	A	803	3.89	H.Bond
A	No SSE	457	VAL	O	N62	A	803	3.34	H.Bond
A	458-466 H: 1	458	ILE	CA	O63	A	803	3.6	van der Waals
A	458-466 H: 1	458	ILE	C	O63	A	803	3.78	van der Waals
A	458-466 H: 1	458	ILE	CG2	O63	A	803	3.75	van der Waals
A	458-466 H: 1	458	ILE	CG2	O6R	A	803	3.31	van der Waals
A	458-466 H: 1	458	ILE	CG2	C4R	A	803	3.95	van der Waals
A	458-466 H: 1	458	ILE	CG2	C2B	A	803	3.9	van der Waals
A	458-466 H: 1	458	ILE	CD1	C3P	A	803	3.86	van der Waals
A	458-466 H: 1	459	HIS	N	C61	A	803	3.78	H.Bond
A	458-466 H: 1	459	HIS	N	O63	A	803	3.08	H.Bond
A	458-466 H: 1	459	HIS	CB	C25	A	803	3.78	van der Waals
A	458-466 H: 1	459	HIS	ND1	N29	A	803	3.3	H.Bond
A	458-466 H: 1	459	HIS	CD2	C61	A	803	3.78	van der Waals
A	458-466 H: 1	459	HIS	CD2	N62	A	803	3.53	H.Bond
A	458-466 H: 1	459	HIS	CE1	N29	A	803	3.73	H.Bond
A	458-466 H: 1	459	HIS	NE2	N62	A	803	3.98	H.Bond
A	458-466 H: 1	460	ASN	CB	C1R	A	803	3.66	van der Waals
A	458-466 H: 1	460	ASN	CB	O6R	A	803	3.65	van der Waals
A	458-466 H: 1	460	ASN	CG	C1R	A	803	3.68	van der Waals
A	458-466 H: 1	460	ASN	CG	O6R	A	803	3.39	van der Waals
A	458-466 H: 1	460	ASN	CG	C5R	A	803	3.95	van der Waals
A	458-466 H: 1	460	ASN	OD1	C20	A	803	3.41	van der Waals
A	458-466 H: 1	460	ASN	OD1	C25	A	803	3.57	van der Waals
A	458-466 H: 1	460	ASN	OD1	O63	A	803	3.97	H.Bond
A	458-466 H: 1	460	ASN	OD1	O6R	A	803	3.52	H.Bond
A	458-466 H: 1	460	ASN	OD1	C5R	A	803	3.73	van der Waals
A	458-466 H: 1	460	ASN	ND2	C1R	A	803	3.7	H.Bond
A	458-466 H: 1	460	ASN	ND2	O6R	A	803	3.7	H.Bond
A	458-466 H: 1	460	ASN	ND2	C5R	A	803	3.84	H.Bond
A	458-466 H: 1	461	PRO	CB	C4B	A	803	3.73	van der Waals
A	458-466 H: 1	461	PRO	CD	C9B	A	803	3.91	van der Waals
A	458-466 H: 1	463	ILE	CD1	C32	A	803	3.81	van der Waals
A	458-466 H: 1	463	ILE	CD1	O34	A	803	3.57	van der Waals
A	470-471 S: 0	471	VAL	CG2	C6M	A	803	3.55	van der Waals
A	No SSE	474	ILE	C	O44	A	803	3.98	van der Waals
A	No SSE	474	ILE	C	N45	A	803	3.79	H.Bond
A	No SSE	474	ILE	O	C43	A	803	3.59	van der Waals
A	No SSE	474	ILE	O	O44	A	803	3.55	H.Bond
A	No SSE	474	ILE	O	N45	A	803	2.82	H.Bond
A	No SSE	474	ILE	CG2	C43	A	803	3.76	van der Waals
A	No SSE	474	ILE	CG2	O44	A	803	3.52	van der Waals
A	No SSE	474	ILE	CG2	N45	A	803	3.73	H.Bond
A	No SSE	476	ASP	N	C43	A	803	3.91	H.Bond
A	No SSE	476	ASP	N	O44	A	803	2.97	H.Bond
A	No SSE	476	ASP	CA	O44	A	803	3.34	van der Waals
A	No SSE	476	ASP	C	O44	A	803	3.33	van der Waals
A	No SSE	476	ASP	O	C20	A	803	3.53	van der Waals
A	No SSE	476	ASP	O	C30	A	803	3.73	van der Waals
A	No SSE	476	ASP	O	O44	A	803	3.87	H.Bond
A	No SSE	476	ASP	CB	C43	A	803	3.95	van der Waals
A	No SSE	476	ASP	CB	O44	A	803	3.24	van der Waals
A	No SSE	476	ASP	CB	O8R	A	803	3.96	van der Waals
A	No SSE	476	ASP	CG	C3R	A	803	3.82	van der Waals
A	No SSE	476	ASP	CG	C2R	A	803	3.78	van der Waals
A	No SSE	476	ASP	CG	C5R	A	803	3.58	van der Waals
A	No SSE	476	ASP	CG	O8R	A	803	3.38	van der Waals
A	No SSE	476	ASP	OD1	C3R	A	803	3.85	van der Waals
A	No SSE	476	ASP	OD1	C2R	A	803	3.52	van der Waals
A	No SSE	476	ASP	OD1	O7R	A	803	3.87	H.Bond
A	No SSE	476	ASP	OD2	C49	A	803	3.44	van der Waals
A	No SSE	476	ASP	OD2	C50	A	803	3.57	van der Waals
A	No SSE	476	ASP	OD2	N52	A	803	2.75	H.Bond
A	No SSE	476	ASP	OD2	C3R	A	803	3.52	van der Waals
A	No SSE	476	ASP	OD2	C2R	A	803	3.99	van der Waals
A	No SSE	476	ASP	OD2	C4R	A	803	3.84	van der Waals
A	No SSE	476	ASP	OD2	C5R	A	803	3.16	van der Waals
A	No SSE	476	ASP	OD2	O8R	A	803	2.53	H.Bond
A	No SSE	477	THR	N	O44	A	803	3.48	H.Bond
A	No SSE	477	THR	CA	O34	A	803	3.5	van der Waals
A	No SSE	477	THR	C	O34	A	803	3.58	van der Waals
A	No SSE	477	THR	CB	O44	A	803	3.96	van der Waals
A	No SSE	477	THR	OG1	C36	A	803	3.85	van der Waals
A	No SSE	477	THR	OG1	C41	A	803	3.45	van der Waals
A	No SSE	477	THR	OG1	C43	A	803	3.9	van der Waals
A	No SSE	477	THR	OG1	O44	A	803	3.01	H.Bond
A	No SSE	477	THR	CG2	C32	A	803	3.81	van der Waals
A	No SSE	477	THR	CG2	N33	A	803	3.63	H.Bond
A	478-479 S: -1	478	LEU	N	C32	A	803	3.52	H.Bond
A	478-479 S: -1	478	LEU	N	O34	A	803	2.71	H.Bond
A	478-479 S: -1	478	LEU	N	N33	A	803	3.76	H.Bond
A	478-479 S: -1	478	LEU	CA	O34	A	803	3.59	van der Waals
A	478-479 S: -1	478	LEU	O	C32	A	803	3.91	van der Waals
A	478-479 S: -1	478	LEU	O	O34	A	803	3.82	H.Bond
A	478-479 S: -1	478	LEU	O	N33	A	803	3.17	H.Bond
A	478-479 S: -1	478	LEU	CB	O34	A	803	3.55	van der Waals
A	478-479 S: -1	478	LEU	CD1	O34	A	803	3.61	van der Waals
A	487-494 S: -1	487	SER	OG	N33	A	803	3.13	H.Bond
A	487-494 S: -1	488	LYS	CA	O28	A	803	3.07	van der Waals
A	487-494 S: -1	488	LYS	C	O28	A	803	3.38	van der Waals
A	487-494 S: -1	488	LYS	CB	O28	A	803	3.42	van der Waals
A	487-494 S: -1	488	LYS	CG	O28	A	803	3.97	van der Waals
A	487-494 S: -1	488	LYS	CD	C27	A	803	3.81	van der Waals
A	487-494 S: -1	488	LYS	CD	O28	A	803	3.34	van der Waals
A	487-494 S: -1	488	LYS	CD	O39	A	803	3.9	van der Waals
A	487-494 S: -1	488	LYS	CE	O39	A	803	3.08	van der Waals
A	487-494 S: -1	488	LYS	NZ	C5	A	803	3.9	H.Bond
A	487-494 S: -1	488	LYS	NZ	C38	A	803	3.55	H.Bond
A	487-494 S: -1	488	LYS	NZ	O39	A	803	2.68	H.Bond
A	487-494 S: -1	489	SER	N	C27	A	803	3.58	H.Bond
A	487-494 S: -1	489	SER	N	O28	A	803	2.71	H.Bond
A	487-494 S: -1	489	SER	N	N29	A	803	3.71	H.Bond
A	487-494 S: -1	489	SER	CA	O28	A	803	3.76	van der Waals
A	487-494 S: -1	489	SER	C	N29	A	803	3.77	H.Bond
A	487-494 S: -1	489	SER	O	C27	A	803	3.66	van der Waals
A	487-494 S: -1	489	SER	O	O28	A	803	3.7	H.Bond
A	487-494 S: -1	489	SER	O	N29	A	803	2.81	H.Bond
A	487-494 S: -1	489	SER	CB	O28	A	803	3.96	van der Waals
A	487-494 S: -1	489	SER	OG	C25	A	803	3.75	van der Waals
A	487-494 S: -1	489	SER	OG	C27	A	803	3.38	van der Waals
A	487-494 S: -1	489	SER	OG	O28	A	803	3.21	H.Bond
A	487-494 S: -1	489	SER	OG	N29	A	803	3.19	H.Bond
A	533-535 S: 0	535	PHE	CE1	O4	A	803	3.64	van der Waals
A	533-535 S: 0	535	PHE	CE1	O5	A	803	3.78	van der Waals
A	533-535 S: 0	535	PHE	CE1	P	A	803	3.8
A	533-535 S: 0	535	PHE	CZ	O4	A	803	3.89	van der Waals
A	533-535 S: 0	535	PHE	CZ	O5	A	803	3.61	van der Waals
A	538-540 S: -1	538	TYR	CG	C4B	A	803	3.89	van der Waals
A	538-540 S: -1	538	TYR	CG	C5B	A	803	3.8	van der Waals
A	538-540 S: -1	538	TYR	CG	C5M	A	803	3.95	van der Waals
A	538-540 S: -1	538	TYR	CD1	C5B	A	803	3.73	van der Waals
A	538-540 S: -1	538	TYR	CD1	C6B	A	803	3.82	van der Waals
A	538-540 S: -1	538	TYR	CD2	C4B	A	803	3.65	van der Waals
A	538-540 S: -1	538	TYR	CE1	O7R	A	803	3.53	van der Waals
A	538-540 S: -1	538	TYR	CE1	C8B	A	803	3.68	van der Waals
A	538-540 S: -1	538	TYR	CE1	C9B	A	803	3.79	van der Waals
A	538-540 S: -1	538	TYR	CE1	C4B	A	803	3.96	van der Waals
A	538-540 S: -1	538	TYR	CE1	C5B	A	803	3.99	van der Waals
A	538-540 S: -1	538	TYR	CE1	C6B	A	803	3.88	van der Waals
A	538-540 S: -1	538	TYR	CE1	C7B	A	803	3.74	van der Waals
A	538-540 S: -1	538	TYR	CE2	N3B	A	803	3.58	H.Bond
A	538-540 S: -1	538	TYR	CE2	C9B	A	803	3.49	van der Waals
A	538-540 S: -1	538	TYR	CE2	C4B	A	803	3.52	van der Waals
A	538-540 S: -1	538	TYR	CZ	O7R	A	803	3.54	van der Waals
A	538-540 S: -1	538	TYR	CZ	N1B	A	803	3.82	H.Bond
A	538-540 S: -1	538	TYR	CZ	C8B	A	803	3.55	van der Waals
A	538-540 S: -1	538	TYR	CZ	C2B	A	803	3.79	van der Waals
A	538-540 S: -1	538	TYR	CZ	N3B	A	803	3.52	H.Bond
A	538-540 S: -1	538	TYR	CZ	C9B	A	803	3.33	van der Waals
A	538-540 S: -1	538	TYR	CZ	C4B	A	803	3.71	van der Waals
A	538-540 S: -1	538	TYR	OH	O2	A	803	3.28	H.Bond
A	538-540 S: -1	538	TYR	OH	C2R	A	803	3.72	van der Waals
A	538-540 S: -1	538	TYR	OH	O7R	A	803	2.74	H.Bond
A	538-540 S: -1	538	TYR	OH	N1B	A	803	3.25	H.Bond
A	538-540 S: -1	538	TYR	OH	C8B	A	803	3.52	van der Waals
A	538-540 S: -1	538	TYR	OH	C2B	A	803	3.1	van der Waals
A	538-540 S: -1	538	TYR	OH	N3B	A	803	3.26	H.Bond
A	538-540 S: -1	538	TYR	OH	C9B	A	803	3.49	van der Waals
A	538-540 S: -1	540	ILE	CD1	O7R	A	803	3.51	van der Waals
A	No SSE	542	LYS	CE	O5	A	803	3.57	van der Waals
A	No SSE	542	LYS	NZ	O5	A	803	2.83	H.Bond
A	No SSE	542	LYS	NZ	P	A	803	3.86
A	No SSE	542	LYS	NZ	O2	A	803	3.71	H.Bond
A	No SSE	542	LYS	NZ	C3R	A	803	3.45	H.Bond
A	No SSE	542	LYS	NZ	C2R	A	803	3.45	H.Bond
A	No SSE	542	LYS	NZ	O7R	A	803	2.96	H.Bond
A	No SSE	543	ALA	CB	N45	A	803	3.75	H.Bond
A	544-555 H: 1	545	VAL	CG1	C49	A	803	3.8	van der Waals
A	544-555 H: 1	545	VAL	CG1	C50	A	803	3.88	van der Waals
A	544-555 H: 1	545	VAL	CG1	N52	A	803	3.63	H.Bond
A	544-555 H: 1	548	CYS	CB	C47	A	803	3.86	van der Waals
A	544-555 H: 1	548	CYS	SG	C47	A	803	3.78	van der Waals
A	544-555 H: 1	549	THR	CA	C46	A	803	3.91	van der Waals
A	544-555 H: 1	549	THR	OG1	C46	A	803	3.61	van der Waals
A	544-555 H: 1	549	THR	OG1	C47	A	803	3.94	van der Waals
A	544-555 H: 1	549	THR	OG1	C48	A	803	3.93	van der Waals
A	544-555 H: 1	552	ARG	CD	C46	A	803	3.88	van der Waals
A	544-555 H: 1	552	ARG	NE	C37	A	803	3.85	H.Bond
A	544-555 H: 1	552	ARG	CZ	C37	A	803	3.35	van der Waals
A	544-555 H: 1	552	ARG	NH1	C37	A	803	3.34	H.Bond
A	544-555 H: 1	552	ARG	NH1	C38	A	803	3.52	H.Bond
A	544-555 H: 1	552	ARG	NH1	N40	A	803	3.3	H.Bond
A	544-555 H: 1	552	ARG	NH2	C37	A	803	3.6	H.Bond
A	544-555 H: 1	552	ARG	NH2	C9	A	803	3.99	H.Bond
A	544-555 H: 1	552	ARG	NH2	C10	A	803	3.89	H.Bond
A	544-555 H: 1	552	ARG	NH2	C46	A	803	3.96	H.Bond
A	No SSE	561	CYS	C	N40	A	803	3.76	H.Bond
A	No SSE	561	CYS	O	C37	A	803	3.75	van der Waals
A	No SSE	561	CYS	O	C38	A	803	3.93	van der Waals
A	No SSE	561	CYS	O	N40	A	803	3.03	H.Bond
A	562-568 H: 1	562	GLY	N	N40	A	803	3.9	H.Bond
A	562-568 H: 1	562	GLY	CA	N40	A	803	3.52	H.Bond
A	562-568 H: 1	565	MET	CE	N40	A	803	3.69	H.Bond
A	Water	976	HOH	O	C6M	A	803	3.96	van der Waals
A	Water	986	HOH	O	N33	A	803	3.64	H.Bond
A	Water	994	HOH	O	C38	A	803	3.89	van der Waals
A	Water	994	HOH	O	O39	A	803	3.97	H.Bond
A	Water	994	HOH	O	N40	A	803	2.96	H.Bond
A	Water	995	HOH	O	C38	A	803	3.98	van der Waals
A	Water	995	HOH	O	N40	A	803	2.98	H.Bond
A	Water	997	HOH	O	C54	A	803	3.79	van der Waals
A	Water	997	HOH	O	C60	A	803	3.7	van der Waals
A	Water	997	HOH	O	C61	A	803	3.94	van der Waals
A	Water	997	HOH	O	N62	A	803	3.2	H.Bond
A	Water	1000	HOH	O	N29	A	803	3.14	H.Bond
A	Water	1000	HOH	O	C60	A	803	3.69	van der Waals
A	Water	1001	HOH	O	C7B	A	803	3.91	van der Waals
A	Water	1016	HOH	O	O4	A	803	2.91	H.Bond
A	Water	1016	HOH	O	P	A	803	3.74
A	Water	1016	HOH	O	O2	A	803	3.65	H.Bond
A	Water	1016	HOH	O	C2B	A	803	3.76	van der Waals
A	Water	1016	HOH	O	N3B	A	803	3.8	H.Bond
A	Water	1017	HOH	O	O4	A	803	2.51	H.Bond
A	Water	1017	HOH	O	P	A	803	3.61
A	Water	1020	HOH	O	N52	A	803	3.55	H.Bond
A	Water	1020	HOH	O	O3	A	803	3.66	H.Bond
A	Water	1020	HOH	O	O4	A	803	3.91	H.Bond
A	Water	1020	HOH	O	O5	A	803	2.49	H.Bond
A	Water	1020	HOH	O	P	A	803	3.48
A	Water	1022	HOH	O	C2B	A	803	3.19	van der Waals
A	Water	1022	HOH	O	N3B	A	803	2.75	H.Bond
A	Water	1024	HOH	O	C54	A	803	3.87	van der Waals
A	Water	1025	HOH	O	N62	A	803	3.98	H.Bond
A	Water	1026	HOH	O	N29	A	803	3.59	H.Bond
A	Water	1035	HOH	O	C54	A	803	3.31	van der Waals

2 / B

> Structure: LHLLHLLHSLLLLSSSSLLHLH +11w
> Sequence: VDFFYQSYSVIHNPIVIGDTLSKSFYIKAVCTRCGM

B12
/(803)

[+]

> Graphics rep1:

[+]

> Graphics rep2:

[+]

Protein Chain	Prot SSE	Res Nbr	Res Name	RsAt.Name	LgAt.Name	Lg Chain	Lg Nbr	Bnd Len	Bnd Type
B	No SSE	276	VAL	CG2	C5M	B	803	3.75	van der Waals
B	289-297 H: 1	289	ASP	CA	O51	B	803	3.89	van der Waals
B	289-297 H: 1	289	ASP	CA	N59	B	803	3.63	H.Bond
B	289-297 H: 1	289	ASP	C	O51	B	803	3.86	van der Waals
B	289-297 H: 1	289	ASP	CB	O58	B	803	3.97	van der Waals
B	289-297 H: 1	289	ASP	CB	N59	B	803	3.95	H.Bond
B	289-297 H: 1	289	ASP	CG	C53	B	803	3.61	van der Waals
B	289-297 H: 1	289	ASP	OD1	C53	B	803	3.33	van der Waals
B	289-297 H: 1	289	ASP	OD2	C53	B	803	3.87	van der Waals
B	289-297 H: 1	289	ASP	OD2	C54	B	803	3.94	van der Waals
B	289-297 H: 1	290	PHE	N	O51	B	803	2.95	H.Bond
B	289-297 H: 1	290	PHE	CA	O51	B	803	3.81	van der Waals
B	289-297 H: 1	290	PHE	CB	C48	B	803	3.71	van der Waals
B	289-297 H: 1	290	PHE	CB	O51	B	803	3.51	van der Waals
B	289-297 H: 1	290	PHE	CG	O51	B	803	3.97	van der Waals
B	289-297 H: 1	290	PHE	CD1	O51	B	803	3.57	van der Waals
B	289-297 H: 1	291	PHE	CD2	C53	B	803	3.6	van der Waals
B	289-297 H: 1	291	PHE	CE1	C46	B	803	3.91	van der Waals
B	289-297 H: 1	291	PHE	CE2	C14	B	803	3.76	van der Waals
B	289-297 H: 1	291	PHE	CE2	C15	B	803	3.77	van der Waals
B	289-297 H: 1	291	PHE	CE2	C53	B	803	3.89	van der Waals
B	289-297 H: 1	291	PHE	CZ	C46	B	803	3.66	van der Waals
B	No SSE	379	TYR	CE1	O58	B	803	3.09	van der Waals
B	No SSE	379	TYR	CZ	O58	B	803	3.02	van der Waals
B	No SSE	379	TYR	OH	C55	B	803	3.83	van der Waals
B	No SSE	379	TYR	OH	C57	B	803	3.37	van der Waals
B	No SSE	379	TYR	OH	O58	B	803	2.18	H.Bond
B	No SSE	379	TYR	OH	N62	B	803	3.52	H.Bond
B	No SSE	403	GLN	NE2	O39	B	803	3.3	H.Bond
B	417-443 H: 1	422	SER	OG	C38	B	803	3.73	van der Waals
B	417-443 H: 1	422	SER	OG	O39	B	803	3.59	H.Bond
B	417-443 H: 1	422	SER	OG	N40	B	803	3.45	H.Bond
B	417-443 H: 1	426	TYR	CE1	C27	B	803	3.79	van der Waals
B	417-443 H: 1	426	TYR	CE1	N29	B	803	3.64	H.Bond
B	417-443 H: 1	426	TYR	OH	C26	B	803	3.64	van der Waals
B	No SSE	455	SER	CB	N62	B	803	3.89	H.Bond
B	No SSE	455	SER	OG	N62	B	803	3.83	H.Bond
B	No SSE	457	VAL	O	N62	B	803	3.37	H.Bond
B	458-466 H: 1	458	ILE	CA	O63	B	803	3.6	van der Waals
B	458-466 H: 1	458	ILE	C	O63	B	803	3.71	van der Waals
B	458-466 H: 1	458	ILE	CG2	O63	B	803	3.81	van der Waals
B	458-466 H: 1	458	ILE	CG2	O6R	B	803	3.29	van der Waals
B	458-466 H: 1	458	ILE	CG2	C4R	B	803	3.94	van der Waals
B	458-466 H: 1	458	ILE	CG2	C2B	B	803	3.8	van der Waals
B	458-466 H: 1	458	ILE	CD1	C3P	B	803	3.97	van der Waals
B	458-466 H: 1	459	HIS	N	C61	B	803	3.79	H.Bond
B	458-466 H: 1	459	HIS	N	O63	B	803	2.94	H.Bond
B	458-466 H: 1	459	HIS	CA	O63	B	803	3.94	van der Waals
B	458-466 H: 1	459	HIS	CB	C25	B	803	3.58	van der Waals
B	458-466 H: 1	459	HIS	CB	O63	B	803	3.84	van der Waals
B	458-466 H: 1	459	HIS	ND1	N29	B	803	3.33	H.Bond
B	458-466 H: 1	459	HIS	CD2	C61	B	803	3.74	van der Waals
B	458-466 H: 1	459	HIS	CD2	O63	B	803	3.89	van der Waals
B	458-466 H: 1	459	HIS	CD2	N62	B	803	3.51	H.Bond
B	458-466 H: 1	459	HIS	CE1	N29	B	803	3.69	H.Bond
B	458-466 H: 1	459	HIS	NE2	N62	B	803	3.91	H.Bond
B	458-466 H: 1	460	ASN	CB	C1R	B	803	3.65	van der Waals
B	458-466 H: 1	460	ASN	CB	O6R	B	803	3.66	van der Waals
B	458-466 H: 1	460	ASN	CB	N1B	B	803	3.92	H.Bond
B	458-466 H: 1	460	ASN	CG	C1R	B	803	3.6	van der Waals
B	458-466 H: 1	460	ASN	CG	O6R	B	803	3.35	van der Waals
B	458-466 H: 1	460	ASN	CG	C5R	B	803	3.85	van der Waals
B	458-466 H: 1	460	ASN	OD1	C20	B	803	3.55	van der Waals
B	458-466 H: 1	460	ASN	OD1	C25	B	803	3.77	van der Waals
B	458-466 H: 1	460	ASN	OD1	O6R	B	803	3.45	H.Bond
B	458-466 H: 1	460	ASN	OD1	C5R	B	803	3.64	van der Waals
B	458-466 H: 1	460	ASN	ND2	C1R	B	803	3.64	H.Bond
B	458-466 H: 1	460	ASN	ND2	O6R	B	803	3.69	H.Bond
B	458-466 H: 1	460	ASN	ND2	C5R	B	803	3.73	H.Bond
B	458-466 H: 1	461	PRO	CB	C4B	B	803	3.78	van der Waals
B	458-466 H: 1	461	PRO	CD	C8B	B	803	3.96	van der Waals
B	458-466 H: 1	461	PRO	CD	C9B	B	803	3.88	van der Waals
B	458-466 H: 1	463	ILE	CD1	C32	B	803	3.8	van der Waals
B	458-466 H: 1	463	ILE	CD1	O34	B	803	3.59	van der Waals
B	470-471 S: 0	471	VAL	CG2	C6M	B	803	3.67	van der Waals
B	No SSE	474	ILE	C	O44	B	803	3.89	van der Waals
B	No SSE	474	ILE	C	N45	B	803	3.73	H.Bond
B	No SSE	474	ILE	O	C43	B	803	3.5	van der Waals
B	No SSE	474	ILE	O	O44	B	803	3.44	H.Bond
B	No SSE	474	ILE	O	N45	B	803	2.77	H.Bond
B	No SSE	474	ILE	CG2	C43	B	803	3.77	van der Waals
B	No SSE	474	ILE	CG2	O44	B	803	3.69	van der Waals
B	No SSE	474	ILE	CG2	N45	B	803	3.68	H.Bond
B	No SSE	475	GLY	C	O44	B	803	3.96	van der Waals
B	No SSE	476	ASP	N	C43	B	803	3.91	H.Bond
B	No SSE	476	ASP	N	O44	B	803	2.82	H.Bond
B	No SSE	476	ASP	CA	O44	B	803	3.25	van der Waals
B	No SSE	476	ASP	C	O44	B	803	3.45	van der Waals
B	No SSE	476	ASP	O	C20	B	803	3.64	van der Waals
B	No SSE	476	ASP	O	C30	B	803	3.91	van der Waals
B	No SSE	476	ASP	CB	C43	B	803	3.99	van der Waals
B	No SSE	476	ASP	CB	O44	B	803	3.07	van der Waals
B	No SSE	476	ASP	CB	C5R	B	803	3.9	van der Waals
B	No SSE	476	ASP	CB	O8R	B	803	3.95	van der Waals
B	No SSE	476	ASP	CG	C3R	B	803	3.87	van der Waals
B	No SSE	476	ASP	CG	C2R	B	803	3.91	van der Waals
B	No SSE	476	ASP	CG	C5R	B	803	3.52	van der Waals
B	No SSE	476	ASP	CG	O8R	B	803	3.36	van der Waals
B	No SSE	476	ASP	OD1	C3R	B	803	3.78	van der Waals
B	No SSE	476	ASP	OD1	C2R	B	803	3.52	van der Waals
B	No SSE	476	ASP	OD2	C49	B	803	3.43	van der Waals
B	No SSE	476	ASP	OD2	C50	B	803	3.72	van der Waals
B	No SSE	476	ASP	OD2	N52	B	803	3.04	H.Bond
B	No SSE	476	ASP	OD2	C3R	B	803	3.65	van der Waals
B	No SSE	476	ASP	OD2	C4R	B	803	3.95	van der Waals
B	No SSE	476	ASP	OD2	C5R	B	803	3.25	van der Waals
B	No SSE	476	ASP	OD2	O8R	B	803	2.6	H.Bond
B	No SSE	477	THR	N	O44	B	803	3.6	H.Bond
B	No SSE	477	THR	CA	O34	B	803	3.5	van der Waals
B	No SSE	477	THR	C	O34	B	803	3.66	van der Waals
B	No SSE	477	THR	OG1	C36	B	803	3.7	van der Waals
B	No SSE	477	THR	OG1	C41	B	803	3.58	van der Waals
B	No SSE	477	THR	OG1	O44	B	803	3.35	H.Bond
B	No SSE	477	THR	CG2	C32	B	803	3.8	van der Waals
B	No SSE	477	THR	CG2	O34	B	803	3.94	van der Waals
B	No SSE	477	THR	CG2	N33	B	803	3.48	H.Bond
B	478-479 S: -1	478	LEU	N	C32	B	803	3.65	H.Bond
B	478-479 S: -1	478	LEU	N	O34	B	803	2.86	H.Bond
B	478-479 S: -1	478	LEU	N	N33	B	803	3.75	H.Bond
B	478-479 S: -1	478	LEU	CA	O34	B	803	3.8	van der Waals
B	478-479 S: -1	478	LEU	O	C32	B	803	3.94	van der Waals
B	478-479 S: -1	478	LEU	O	O34	B	803	3.92	H.Bond
B	478-479 S: -1	478	LEU	O	N33	B	803	3.1	H.Bond
B	478-479 S: -1	478	LEU	CB	O34	B	803	3.78	van der Waals
B	478-479 S: -1	478	LEU	CD1	O34	B	803	3.79	van der Waals
B	487-494 S: -1	487	SER	O	C35	B	803	3.91	van der Waals
B	487-494 S: -1	487	SER	OG	N33	B	803	3.13	H.Bond
B	487-494 S: -1	488	LYS	CA	O28	B	803	3.06	van der Waals
B	487-494 S: -1	488	LYS	C	O28	B	803	3.41	van der Waals
B	487-494 S: -1	488	LYS	CB	O28	B	803	3.33	van der Waals
B	487-494 S: -1	488	LYS	CG	O28	B	803	3.85	van der Waals
B	487-494 S: -1	488	LYS	CD	C27	B	803	3.79	van der Waals
B	487-494 S: -1	488	LYS	CD	O28	B	803	3.23	van der Waals
B	487-494 S: -1	488	LYS	CE	O39	B	803	3.23	van der Waals
B	487-494 S: -1	488	LYS	NZ	C5	B	803	3.93	H.Bond
B	487-494 S: -1	488	LYS	NZ	C35	B	803	3.97	H.Bond
B	487-494 S: -1	488	LYS	NZ	C38	B	803	3.61	H.Bond
B	487-494 S: -1	488	LYS	NZ	O39	B	803	2.88	H.Bond
B	487-494 S: -1	489	SER	N	C27	B	803	3.62	H.Bond
B	487-494 S: -1	489	SER	N	O28	B	803	2.76	H.Bond
B	487-494 S: -1	489	SER	N	N29	B	803	3.76	H.Bond
B	487-494 S: -1	489	SER	CA	O28	B	803	3.81	van der Waals
B	487-494 S: -1	489	SER	C	N29	B	803	3.83	H.Bond
B	487-494 S: -1	489	SER	O	C27	B	803	3.73	van der Waals
B	487-494 S: -1	489	SER	O	O28	B	803	3.73	H.Bond
B	487-494 S: -1	489	SER	O	N29	B	803	2.9	H.Bond
B	487-494 S: -1	489	SER	OG	C25	B	803	3.58	van der Waals
B	487-494 S: -1	489	SER	OG	C27	B	803	3.39	van der Waals
B	487-494 S: -1	489	SER	OG	O28	B	803	3.29	H.Bond
B	487-494 S: -1	489	SER	OG	N29	B	803	3.21	H.Bond
B	533-535 S: 0	535	PHE	CE1	O4	B	803	3.51	van der Waals
B	533-535 S: 0	535	PHE	CE1	O5	B	803	3.76	van der Waals
B	533-535 S: 0	535	PHE	CE1	P	B	803	3.93
B	533-535 S: 0	535	PHE	CZ	O4	B	803	3.82	van der Waals
B	533-535 S: 0	535	PHE	CZ	O5	B	803	3.58	van der Waals
B	538-540 S: -1	538	TYR	CB	C5M	B	803	3.85	van der Waals
B	538-540 S: -1	538	TYR	CG	C4B	B	803	3.88	van der Waals
B	538-540 S: -1	538	TYR	CG	C5B	B	803	3.74	van der Waals
B	538-540 S: -1	538	TYR	CG	C5M	B	803	3.82	van der Waals
B	538-540 S: -1	538	TYR	CD1	C4B	B	803	3.98	van der Waals
B	538-540 S: -1	538	TYR	CD1	C5B	B	803	3.69	van der Waals
B	538-540 S: -1	538	TYR	CD1	C6B	B	803	3.76	van der Waals
B	538-540 S: -1	538	TYR	CD2	C4B	B	803	3.56	van der Waals
B	538-540 S: -1	538	TYR	CD2	C5B	B	803	3.91	van der Waals
B	538-540 S: -1	538	TYR	CE1	O7R	B	803	3.44	van der Waals
B	538-540 S: -1	538	TYR	CE1	C8B	B	803	3.67	van der Waals
B	538-540 S: -1	538	TYR	CE1	C9B	B	803	3.75	van der Waals
B	538-540 S: -1	538	TYR	CE1	C4B	B	803	3.87	van der Waals
B	538-540 S: -1	538	TYR	CE1	C5B	B	803	3.91	van der Waals
B	538-540 S: -1	538	TYR	CE1	C6B	B	803	3.81	van der Waals
B	538-540 S: -1	538	TYR	CE1	C7B	B	803	3.72	van der Waals
B	538-540 S: -1	538	TYR	CE2	N3B	B	803	3.67	H.Bond
B	538-540 S: -1	538	TYR	CE2	C9B	B	803	3.5	van der Waals
B	538-540 S: -1	538	TYR	CE2	C4B	B	803	3.44	van der Waals
B	538-540 S: -1	538	TYR	CZ	O7R	B	803	3.42	van der Waals
B	538-540 S: -1	538	TYR	CZ	N1B	B	803	3.91	H.Bond
B	538-540 S: -1	538	TYR	CZ	C8B	B	803	3.58	van der Waals
B	538-540 S: -1	538	TYR	CZ	C2B	B	803	3.87	van der Waals
B	538-540 S: -1	538	TYR	CZ	N3B	B	803	3.54	H.Bond
B	538-540 S: -1	538	TYR	CZ	C9B	B	803	3.3	van der Waals
B	538-540 S: -1	538	TYR	CZ	C4B	B	803	3.61	van der Waals
B	538-540 S: -1	538	TYR	OH	O4	B	803	3.94	H.Bond
B	538-540 S: -1	538	TYR	OH	O2	B	803	3.38	H.Bond
B	538-540 S: -1	538	TYR	OH	C2R	B	803	3.66	van der Waals
B	538-540 S: -1	538	TYR	OH	O7R	B	803	2.55	H.Bond
B	538-540 S: -1	538	TYR	OH	N1B	B	803	3.3	H.Bond
B	538-540 S: -1	538	TYR	OH	C8B	B	803	3.5	van der Waals
B	538-540 S: -1	538	TYR	OH	C2B	B	803	3.1	van der Waals
B	538-540 S: -1	538	TYR	OH	N3B	B	803	3.17	H.Bond
B	538-540 S: -1	538	TYR	OH	C9B	B	803	3.39	van der Waals
B	538-540 S: -1	540	ILE	CD1	O7R	B	803	3.65	van der Waals
B	No SSE	542	LYS	CE	O5	B	803	3.65	van der Waals
B	No SSE	542	LYS	NZ	O5	B	803	2.89	H.Bond
B	No SSE	542	LYS	NZ	P	B	803	3.89
B	No SSE	542	LYS	NZ	O2	B	803	3.87	H.Bond
B	No SSE	542	LYS	NZ	C3R	B	803	3.47	H.Bond
B	No SSE	542	LYS	NZ	C2R	B	803	3.44	H.Bond
B	No SSE	542	LYS	NZ	O7R	B	803	3	H.Bond
B	No SSE	543	ALA	CB	N45	B	803	3.72	H.Bond
B	544-555 H: 1	545	VAL	CG1	N52	B	803	3.71	H.Bond
B	544-555 H: 1	548	CYS	CB	C47	B	803	3.99	van der Waals
B	544-555 H: 1	548	CYS	SG	C47	B	803	3.87	van der Waals
B	544-555 H: 1	549	THR	CA	C46	B	803	3.86	van der Waals
B	544-555 H: 1	549	THR	OG1	C46	B	803	3.55	van der Waals
B	544-555 H: 1	552	ARG	CD	C46	B	803	3.9	van der Waals
B	544-555 H: 1	552	ARG	NE	C37	B	803	3.85	H.Bond
B	544-555 H: 1	552	ARG	CZ	C37	B	803	3.37	van der Waals
B	544-555 H: 1	552	ARG	NH1	C37	B	803	3.32	H.Bond
B	544-555 H: 1	552	ARG	NH1	C38	B	803	3.5	H.Bond
B	544-555 H: 1	552	ARG	NH1	N40	B	803	3.32	H.Bond
B	544-555 H: 1	552	ARG	NH2	C37	B	803	3.55	H.Bond
B	544-555 H: 1	552	ARG	NH2	C10	B	803	3.88	H.Bond
B	No SSE	561	CYS	C	N40	B	803	3.73	H.Bond
B	No SSE	561	CYS	O	C37	B	803	3.88	van der Waals
B	No SSE	561	CYS	O	C38	B	803	3.88	van der Waals
B	No SSE	561	CYS	O	N40	B	803	3	H.Bond
B	562-568 H: 1	562	GLY	N	N40	B	803	3.87	H.Bond
B	562-568 H: 1	562	GLY	CA	N40	B	803	3.43	H.Bond
B	562-568 H: 1	565	MET	CE	O39	B	803	3.85	van der Waals
B	562-568 H: 1	565	MET	CE	N40	B	803	3.71	H.Bond
B	Water	903	HOH	O	C26	B	803	3.97	van der Waals
B	Water	903	HOH	O	C27	B	803	3.88	van der Waals
B	Water	903	HOH	O	N29	B	803	2.9	H.Bond
B	Water	903	HOH	O	C60	B	803	3.54	van der Waals
B	Water	907	HOH	O	N40	B	803	3.2	H.Bond
B	Water	913	HOH	O	O4	B	803	2.65	H.Bond
B	Water	913	HOH	O	P	B	803	3.65
B	Water	915	HOH	O	O58	B	803	3.79	H.Bond
B	Water	922	HOH	O	C54	B	803	3.84	van der Waals
B	Water	951	HOH	O	N40	B	803	3.12	H.Bond
B	Water	954	HOH	O	N33	B	803	3.57	H.Bond
B	Water	956	HOH	O	N29	B	803	3.42	H.Bond
B	Water	964	HOH	O	C6M	B	803	3.74	van der Waals
B	Water	968	HOH	O	N52	B	803	3.72	H.Bond
B	Water	968	HOH	O	O5	B	803	2.68	H.Bond
B	Water	968	HOH	O	P	B	803	3.83
B	Water	971	HOH	O	O4	B	803	2.82	H.Bond
B	Water	971	HOH	O	P	B	803	3.84
B	Water	971	HOH	O	O2	B	803	3.7	H.Bond
B	Water	971	HOH	O	C2B	B	803	3.67	van der Waals
B	Water	971	HOH	O	N3B	B	803	3.55	H.Bond