PDB-2g7z: Conserved DegV-like Protein of Unknown Function from Streptococcu...

ID or keywords:

Entry

Database: PDB / ID: 2g7z

Title

Conserved DegV-like Protein of Unknown Function from Streptococcus pyogenes M1 GAS Binds Long-chain Fatty Acids

Components

conserved hypothetical protein SPy1493

Keywords

STRUCTURAL GENOMICS / UNKNOWN FUNCTION / Long-Fatty acid binding protein / Lipid binding protein / PSI / MCSG / Hypothetical protein / Protein Structure Initiative / Midwest Center for Structural Genomics

Function / homology

Function and homology information

lipid binding
Similarity search - Function

Biological species

Streptococcus pyogenes (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.05 Å

Authors

Nocek, B. / Volkart, L. / Clancy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: Conserved hypothetical protein from Streptococcus pyogenes M1 GAS discloses long-fatty acid (heptadecanoic acid) binding function
Authors: Nocek, B. / Volkart, L. / Clancy, S. / Joachimiak, A.

History

Deposition	Mar 1, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 4, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Derived calculations ...Advisory / Derived calculations / Source and taxonomy / Version format compliance
Revision 1.3	Oct 30, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr1_symmetry / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Remark 300

BIOMOLECULE: 1, 2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 ...

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2g7z.cif.gz	138.1 KB	Display	PDBx/mmCIF format
PDB format	pdb2g7z.ent.gz	108.5 KB	Display	PDB format
PDBx/mmJSON format	2g7z.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/g7/2g7z ftp://data.pdbj.org/pub/pdb/validation_reports/g7/2g7z	HTTPS FTP

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Related structure data

Related structure data	1mgp
Similar structure data	6o68-1 6ayd-d 6dj6-1 1xqz-d 3bgp-d 6seq-d 5kge-d 5gtn-d 5ni7-d 1yhs-d 3nyi-2 1yi4-d 6r7j-d 2bzh-d 3a99-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetDB: APC80011

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: conserved hypothetical protein SPy1493

B: conserved hypothetical protein SPy1493

hetero molecules

63.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: conserved hypothetical protein SPy1493

hetero molecules

defined by author&software
31.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: conserved hypothetical protein SPy1493

hetero molecules

defined by author&software
31.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

A: conserved hypothetical protein SPy1493

hetero molecules

B: conserved hypothetical protein SPy1493

hetero molecules

defined by software
63.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	74.126, 74.093, 128.597
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Details

This entry contains 2 protein molecules in the crystallographic asymmetric unit. The biological unit of the protein is unknown, although the crystallographic analysis suggests that monomer is likely relevant oligomeric form

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Protein , 1 types, 2 molecules AB

#1: Protein	conserved hypothetical protein SPy1493 Mass: 30587.186 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus pyogenes (bacteria) / Strain: M1 GAS / Plasmid: PMCSG7 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P67372

#1: Protein

conserved hypothetical protein SPy1493

Mass: 30587.186 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Streptococcus pyogenes (bacteria) / Strain: M1 GAS / Plasmid: PMCSG7 / Species (production host): Escherichia coli / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P67372

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Non-polymers , 6 types, 485 molecules

#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Zn
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#4: Chemical	ChemComp-HXA / DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID Mass: 328.488 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₂H₃₂O₂
#5: Chemical	ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER Mass: 122.143 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₄H₁₂NO₃ / Comment: pH buffer*YM
#6: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 461 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.89 Å³/Da / Density % sol: 57.37 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 20 % PEG 3k, 0.2 M Zn Acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9795 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Apr 10, 2005
Radiation	Monochromator: Double Crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 2.05→40 Å / Num. all: 45357 / Num. obs: 45131 / % possible obs: 99.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 12.4 % / R_merge(I) obs: 0.174 / Net I/σ(I): 19.3
Reflection shell	Resolution: 2.05→2.12 Å / Redundancy: 7.3 % / R_merge(I) obs: 0.599 / R_sym value: 0.021 / % possible all: 99.5

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
SBC-Collect		data collection
HKL-2000		data scaling
HKL-3000		phasing
SHELXD		phasing
SHELXE		model building
MLPHARE		phasing
DM		phasing
SOLVE		phasing
RESOLVE		phasing
O		model building
Coot		model building
CCP4		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.05→40 Å / Cor.coef. F_o:F_c: 0.952 / Cor.coef. F_o:F_c free: 0.928 / SU B: 6.039 / SU ML: 0.091 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.154 / ESU R Free: 0.144 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.20714	2265	5 %	RANDOM
R_work	0.16548	-	-	-
obs	0.16756	42608	99.45 %	-
all	-	44873	-	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 15.701 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.61 Å²	0 Å²	0 Å²
2-	-	0.52 Å²	0 Å²
3-	-	-	-1.12 Å²

Refinement step

Cycle: LAST / Resolution: 2.05→40 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4145	0	89	461	4695

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.014	0.022	4298
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.406	1.995	5772
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.237	5	552
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.523	25.211	142
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.618	15	783
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.86	15	14
X-RAY DIFFRACTION	r_chiral_restr	0.081	0.2	701
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	2998
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.201	0.2	2145
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.298	0.2	2967
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.165	0.2	375
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined	0.188	0.2	3
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.236	0.2	77
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.235	0.2	23
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined	0.097	0.2	4
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.741	1.5	2845
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.119	2	4436
X-RAY DIFFRACTION	r_scbond_it	2.329	3	1636
X-RAY DIFFRACTION	r_scangle_it	3.179	4.5	1335
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.051→2.104 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.25	155	-
R_work	0.202	2942	-
obs	-	-	94.65 %

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	13.864	15.5528	8.6562	85.0729	4.158	32.6353	-1.9574	0.8635	0.4123	-3.9752	1.6792	-1.4496	-1.4745	1.1113	0.2782	0.0574	-0.1441	0.0119	0.0979	-0.0248	-0.0164	65.429	49.7207	38.2604
2	0.5987	0.6446	-0.1367	0.7506	-0.3746	0.9456	0.0533	-0.004	-0.0698	0.0278	-0.008	-0.0536	0.0479	0.0522	-0.0453	0.0339	0.0207	0.0043	-0.0046	-0.0066	-0.0071	50.93	32.7582	39.3588
3	19.8936	10.4158	4.9677	22.7047	-5.0358	15.1473	0.1868	-0.7408	-1.1684	0.4003	-0.1308	-0.5514	0.2554	-0.331	-0.056	0.0557	0.0028	0.0086	-0.0803	0.07	-0.0341	41.7147	17.8718	53.7761
4	3.6131	2.6727	1.8901	4.855	2.3446	2.4314	-0.0075	0.1007	-0.0654	-0.2105	0.0637	-0.2034	-0.124	0.0668	-0.0562	0.0411	0.0184	0.031	-0.0166	-0.0039	-0.0284	45.4585	20.869	41.2753
5	0.6625	0.7329	-0.1741	1.4038	0.2053	0.5754	-0.0143	-0.1422	-0.0415	0.1194	-0.0893	0.0392	0.0874	-0.0256	0.1036	0.0574	0.0003	0.0047	-0.0341	-0.0139	-0.0119	40.8758	24.1599	50.2681
6	15.9565	3.5982	-5.9508	3.4232	-0.2654	2.6629	-0.0156	-0.3162	-0.1671	0.2703	-0.0935	-0.283	0.0986	0.2253	0.1091	0.0239	0.0076	-0.0431	0.0229	-0.0148	-0.0309	60.8667	37.7621	50.0126
7	4.0059	2.1204	-0.8394	1.204	-0.2966	0.4431	0.0009	-0.048	-0.0468	0.0432	0.001	0.0519	-0.1474	0.0578	-0.0019	0.0458	-0.0043	-0.003	-0.0005	-0.0218	-0.0363	49.1302	40.8107	46.0475
8	12.599	2.4832	4.864	3.4727	0.2065	2.0675	-0.3191	-0.1137	0.3758	0.4577	0.174	0.1736	-0.4094	-0.1788	0.1451	0.0814	0.004	0.0189	-0.0134	-0.006	-0.0188	45.5521	41.0498	52.6217
9	0.7989	0.042	0.4955	0.3634	0.144	0.8031	-0.0289	-0.0485	0.0509	-0.0752	-0.0215	0.042	-0.0973	0.0226	0.0504	0.0426	0.0057	0.007	-0.0075	-0.0033	-0.0182	47.4011	41.5972	44.6608
10	1.8745	1.3911	-0.3013	1.8129	-0.1679	0.6898	-0.1472	0.215	0.0664	-0.2241	0.1578	-0.0512	-0.0019	0.1508	-0.0106	0.0624	-0.02	0.0102	0.0073	-0.0119	-0.0289	55.9514	45.2789	33.2939
11	15.428	2.7661	2.0801	2.1829	0.2281	3.5704	-0.0093	-0.0182	0.2916	-0.1884	-0.0222	0.0811	-0.1024	0.0558	0.0315	0.104	-0.0087	0.0195	-0.0851	0.0036	-0.0134	49.2006	50.91	36.1838
12	1.4281	1.8154	-0.5123	3.0292	-0.0455	0.6922	-0.0736	0.0113	0.1096	-0.246	0.0509	0.1596	-0.0082	-0.1	0.0227	0.0338	0.0275	-0.0273	-0.0209	0.0092	-0.0008	31.8493	38.4861	36.357
13	2.1889	-2.1864	-0.3187	3.4696	-1.6668	5.6928	0.0386	-0.1332	-0.0678	0.0776	0.0899	0.2781	0.2164	-0.2961	-0.1285	-0.0017	-0.0095	0.0219	-0.0208	-0.0122	0.0054	25.858	31.495	48.659
14	5.5912	2.4445	4.2127	2.3373	3.7582	6.069	-0.1226	-0.0538	0.2639	-0.0009	0.1294	0.1589	-0.0303	-0.0391	-0.0068	-0.0093	0.0024	0.0282	-0.0407	0.01	0.0195	25.4505	38.7301	40.6236
15	0.1659	0.779	-1.0688	10.7773	-5.3549	6.9035	-0.0043	0.1001	0.0815	-0.3596	0.0861	0.7489	0.2143	-0.4495	-0.0818	-0.0219	-0.059	-0.1034	0.0045	0.0215	0.0556	21.0814	33.6533	29.4714
16	0.5004	-1.3877	0.3234	4.4403	-1.5868	1.0131	0.0765	0	-0.0664	-0.2056	0.0044	0.1044	0.0276	-0.0867	-0.0809	0.1103	-0.0096	-0.0299	-0.0469	-0.0113	-0.0318	33.494	39.9125	25.9136
17	2.202	-1.8605	0.7186	4.2955	-5.0908	9.5137	0.0599	0.1016	-0.3956	-0.3144	-0.0172	0.2767	0.2712	-0.0677	-0.0427	0.102	-0.0317	-0.0579	-0.0874	-0.0388	-0.0156	31.1654	24.4905	28.4098
18	11.9471	2.922	5.9668	15.1292	6.3606	14.7776	-0.0178	-0.0694	-0.0672	-1.2521	-0.1483	0.2613	0.0818	-0.5654	0.1661	0.2752	-0.0007	-0.0858	-0.1337	-0.0396	-0.1645	30.276	34.1237	19.7965
19	0.5046	-0.0095	0.2557	2.7391	-0.5507	5.3026	-0.0544	-0.0296	0.0323	-0.2872	-0.0174	-0.0083	0.0868	0.1512	0.0718	0.041	-0.0095	-0.015	-0.0449	-0.0151	-0.0012	38.7751	29.4068	31.9924
20	0.3965	0.551	-0.6616	1.9602	-0.6186	1.1797	-0.0814	0.0203	0.0335	-0.3086	0.016	0.1259	0.1702	-0.0625	0.0654	0.0501	-0.0031	-0.0235	-0.0177	-0.0024	-0.0109	33.6189	34.1999	34.516
21	111.2756	-25.6133	-1.403	54.9034	14.1111	6.5281	0.2882	3.2892	-0.8328	-0.5823	-0.3217	-0.8192	0.3705	0.6356	0.0335	0.1142	0.078	-0.015	-0.0451	0.0211	-0.1109	67.1573	27.1478	70.6672
22	0.7882	-0.8305	-0.4297	0.9635	0.213	0.8845	-0.0263	-0.0264	-0.041	0.0771	0.0593	0.0533	0.0843	-0.0986	-0.033	0.0195	-0.0122	0.0012	0.0142	0.0004	-0.011	48.8698	43.44	73.9727
23	1.7942	1.2718	2.2076	2.6932	2.2042	7.073	0.0112	0.0885	-0.0634	0.0437	-0.0947	0.1739	0.11	-0.2052	0.0835	-0.0319	-0.0173	0.0191	0.0047	-0.018	0.0114	40.2428	46.2439	77.6476
24	1.2337	0.1306	0.6916	6.4756	3.283	6.4214	0.0217	-0.0025	0.1063	-0.0817	0.0264	-0.2785	0.044	-0.1352	-0.048	-0.0323	0.0038	-0.0216	0.0303	-0.0237	-0.013	35.4559	54.6947	73.4243
25	2.9006	-1.7735	0.4961	1.64	0.0508	0.6644	-0.0787	-0.1344	0.1123	0.1879	-0.0158	-0.0607	-0.0126	-0.143	0.0945	0.0154	0.0118	-0.0084	0.0582	-0.004	-0.0454	45.2393	50.639	85.1425
26	2.2203	-3.901	1.256	18.124	3.1357	3.2432	0.0883	-0.2128	-0.3273	0.5082	-0.2135	0.1911	0.1341	-0.3907	0.1252	0.0589	-0.019	-0.0033	-0.0142	0.0319	-0.0352	55.7595	32.0289	82.7915
27	1.5416	-1.9152	-0.093	3.2028	0.718	0.4464	-0.0236	-0.0417	0.078	-0.0178	0.0636	-0.0625	0.0479	0.0722	-0.04	0.0383	-0.0122	-0.0012	0.0055	0.0096	-0.0261	59.4902	44.1432	78.9587
28	0.1323	-0.184	0.6072	1.0215	-0.8774	2.7884	0.006	0.0195	0.0448	0.1731	-0.0052	-0.1375	0.0019	0.0945	-0.0008	0.009	-0.002	-0.0062	0.0135	-0.0068	-0.0045	62.379	41.7562	83.6777
29	0.0916	-0.3616	0.0683	2.7465	-0.0669	0.0823	-0.0039	0.0496	0.0081	-0.0682	-0.025	-0.0088	0.0201	0.1132	0.0289	0.0209	-0.0067	0.0012	0.0467	0.0005	-0.0208	57.7621	47.7904	67.1026
30	0.5769	-0.4492	-0.1448	1.6269	-0.0928	0.7765	0.0447	0.1022	0.0442	-0.1713	-0.0495	-0.1581	0.0195	0.1547	0.0049	-0.0201	0.0003	-0.0052	0.0507	-0.0029	-0.017	65.2323	46.7511	67.0043
31	2.0001	-0.4125	1.2842	1.9088	-0.4165	5.0005	-0.0453	-0.1608	0.1427	0.1257	0.024	0.029	-0.1692	-0.1304	0.0214	0.0031	-0.0034	0.004	-0.0434	-0.0281	0.0023	49.3146	66.5121	79.5207
32	5.9784	-16.0885	-9.6022	48.2016	19.7454	22.9948	-1.3345	1.8294	0.5516	-0.5396	-0.5034	0.2983	-0.7255	-0.7293	1.8379	-0.0111	-0.1043	0.207	0.0668	-0.0306	0.1429	49.6172	74.6804	74.9133
33	1.274	-0.9315	2.9948	4.9366	-2.2904	7.0423	0.0993	0.1487	-0.0054	0.0581	-0.103	-0.3533	-0.099	0.0271	0.0037	-0.0026	-0.0111	0.0085	-0.0493	-0.0122	0.0228	57.978	66.3495	73.1354
34	35.2754	0.9087	17.2496	3.0391	1.9734	16.1144	-0.2331	-0.6361	2.2591	0.1005	-0.2906	0.0521	-0.7971	-0.664	0.5237	-0.0205	0.0362	0.0602	-0.1074	0.0459	0.1099	49.6233	74.7671	67.3066
35	17.7238	-3.8312	-7.9815	1.522	3.0825	6.249	0.0023	0.8533	0.5762	0.1083	-0.0565	-0.1328	-0.3257	-0.3392	0.0542	0.0277	0.0466	0.0194	-0.0004	0.1371	0.0111	53.5966	69.7966	59.4172
36	4.7811	1.7265	-1.6704	0.6929	-0.509	0.7114	0.0451	0.3919	0.21	0.0726	0.104	0.0709	-0.0507	-0.0458	-0.1491	-0.0218	0.0183	-0.0104	0.1236	0.0264	-0.0346	60.3013	59.373	57.1801
37	4.9425	2.7147	-3.0411	1.5204	-1.156	10.9035	-0.0659	0.305	0.2937	-0.0151	0.0475	0.3141	-0.0288	-0.3939	0.0185	-0.0463	0.0452	-0.0399	0.0684	0.0381	0.0106	43.0387	60.8756	61.2126
38	17.5054	-9.2028	10.2333	16.5722	-13.8832	14.7815	0.3396	1.1111	-0.3916	0.1327	-0.3123	0.5562	-0.4803	0.207	-0.0273	-0.0853	-0.0263	-0.0466	0.2491	0.046	-0.1399	52.8445	62.2341	51.8868
39	2.039	0.1687	-0.2808	1.1283	-0.3472	5.1357	0.01	0.196	0.0023	-0.0336	-0.0389	0.0205	0.2775	-0.0246	0.0289	-0.0193	0.0054	-0.0272	0.0247	0.0081	-0.0135	47.9384	53.8589	64.1829
40	2.9879	-0.6355	-1.1231	0.3312	0.6374	1.2321	-0.0075	0.2303	0.0509	-0.0414	-0.0798	0.0133	-0.0427	-0.0916	0.0872	0.0091	-0.0016	-0.0217	0.0195	0.0181	-0.0154	52.6074	59.0682	66.7066

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	0 - 3	3 - 6
2	X-RAY DIFFRACTION	2	A	A	4 - 31	7 - 34
3	X-RAY DIFFRACTION	3	A	A	32 - 38	35 - 41
4	X-RAY DIFFRACTION	4	A	A	39 - 48	42 - 51
5	X-RAY DIFFRACTION	5	A	A	49 - 72	52 - 75
6	X-RAY DIFFRACTION	6	A	A	73 - 79	76 - 82
7	X-RAY DIFFRACTION	7	A	A	80 - 97	83 - 100
8	X-RAY DIFFRACTION	8	A	A	98 - 101	101 - 104
9	X-RAY DIFFRACTION	9	A	A	102 - 129	105 - 132
10	X-RAY DIFFRACTION	10	A	A	130 - 141	133 - 144
11	X-RAY DIFFRACTION	11	A	A	142 - 150	145 - 153
12	X-RAY DIFFRACTION	12	A	A	151 - 164	154 - 167
13	X-RAY DIFFRACTION	13	A	A	165 - 185	168 - 188
14	X-RAY DIFFRACTION	14	A	A	186 - 200	189 - 203
15	X-RAY DIFFRACTION	15	A	A	201 - 218	204 - 221
16	X-RAY DIFFRACTION	16	A	A	219 - 232	222 - 235
17	X-RAY DIFFRACTION	17	A	A	233 - 243	236 - 246
18	X-RAY DIFFRACTION	18	A	A	244 - 250	247 - 253
19	X-RAY DIFFRACTION	19	A	A	251 - 264	254 - 267
20	X-RAY DIFFRACTION	20	A	A	265 - 279	268 - 282
21	X-RAY DIFFRACTION	21	B	B	0 - 3	3 - 6
22	X-RAY DIFFRACTION	22	B	B	4 - 36	7 - 39
23	X-RAY DIFFRACTION	23	B	B	37 - 45	40 - 48
24	X-RAY DIFFRACTION	24	B	B	46 - 54	49 - 57
25	X-RAY DIFFRACTION	25	B	B	55 - 71	58 - 74
26	X-RAY DIFFRACTION	26	B	B	72 - 79	75 - 82
27	X-RAY DIFFRACTION	27	B	B	80 - 99	83 - 102
28	X-RAY DIFFRACTION	28	B	B	100 - 118	103 - 121
29	X-RAY DIFFRACTION	29	B	B	119 - 133	122 - 136
30	X-RAY DIFFRACTION	30	B	B	134 - 159	137 - 162
31	X-RAY DIFFRACTION	31	B	B	160 - 177	163 - 180
32	X-RAY DIFFRACTION	32	B	B	178 - 186	181 - 189
33	X-RAY DIFFRACTION	33	B	B	187 - 199	190 - 202
34	X-RAY DIFFRACTION	34	B	B	200 - 206	203 - 209
35	X-RAY DIFFRACTION	35	B	B	207 - 218	210 - 221
36	X-RAY DIFFRACTION	36	B	B	219 - 231	222 - 234
37	X-RAY DIFFRACTION	37	B	B	232 - 243	235 - 246
38	X-RAY DIFFRACTION	38	B	B	244 - 250	247 - 253
39	X-RAY DIFFRACTION	39	B	B	251 - 264	254 - 267
40	X-RAY DIFFRACTION	40	B	B	265 - 279	268 - 282

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