PDB-4u60: Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 in ...

ID or keywords:

Entry

Database: PDB / ID: 4u60

Title

Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 in complex with GM1 oligosaccharide

Components

Structural protein VP1

Keywords

VIRAL PROTEIN / viral coat protein / jelly-roll fold / carbohydrate binding

Function / homology

Function and homology information

T=7 icosahedral viral capsid / host cell nucleus / virion attachment to host cell / structural molecule activity / metal ion binding
Similarity search - Function

Biological species

Trichodysplasia spinulosa-associated polyomavirus

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.5 Å

Authors

Stroh, L.J. / Stehle, T.

Citation

Journal: Plos Pathog. / Year: 2015
Title: Trichodysplasia spinulosa-Associated Polyomavirus Uses a Displaced Binding Site on VP1 to Engage Sialylated Glycolipids.
Authors: Stroh, L.J. / Gee, G.V. / Blaum, B.S. / Dugan, A.S. / Feltkamp, M.C. / Atwood, W.J. / Stehle, T.

History

Deposition	Jul 26, 2014	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Aug 5, 2015	Provider: repository / Type: Initial release
Revision 1.1	Sep 2, 2015	Group: Database references
Revision 2.0	Jul 29, 2020	Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_mod_residue / struct_asym / struct_conn / struct_site / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_alt_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.occupancy / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_mod_residue.auth_asym_id / _pdbx_struct_mod_residue.auth_seq_id / _pdbx_struct_mod_residue.label_asym_id / _struct_conn.pdbx_dist_value / _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.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 Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_ncs_dom_lim Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	4u60.cif.gz	566.9 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	4u60_validation.pdf.gz	2.4 MB	Display	wwPDB validaton report
Full document	4u60_full_validation.pdf.gz	2.4 MB	Display
Data in XML	4u60_validation.xml.gz	66.2 KB	Display
Data in CIF	4u60_validation.cif.gz	99.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/u6/4u60 ftp://data.pdbj.org/pub/pdb/validation_reports/u6/4u60	HTTPS FTP

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Related structure data

Related structure data	4u5zSC 4u61C 4u62C S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4u61-1 6hku-2 4fmi-1 4pos-1 4u62-2 6y64-2 4fmi-4 4fmh-1 4u61-2 6hkv-2 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#47 - Nov 2003 Simian Virus 40 similarity (4) #221 - May 2018 Human Papillomavirus and Vaccines similarity (1) #200 - Aug 2016 Quasisymmetry in Icosahedral Viruses similarity (5) #113 - May 2009 Influenza Neuraminidase similarity (1)

Deposited unit

A: Structural protein VP1

B: Structural protein VP1

C: Structural protein VP1

D: Structural protein VP1

E: Structural protein VP1

hetero molecules

160 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	144.990, 152.050, 67.970
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P2₁2₁2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E

NCS domain segments:

Ens-ID: 1 / Refine code: 6

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LEU	LEU	ILE	ILE	A	A	50 - 96	27 - 73
2	1	LEU	LEU	ILE	ILE	B	B	50 - 96	27 - 73
3	1	LEU	LEU	ILE	ILE	C	C	50 - 96	27 - 73
4	1	LEU	LEU	ILE	ILE	D	D	50 - 96	27 - 73
5	1	LEU	LEU	ILE	ILE	E	E	50 - 96	27 - 73
1	2	GLU	GLU	ILE	ILE	A	A	114 - 187	91 - 164
2	2	GLU	GLU	ILE	ILE	B	B	114 - 187	91 - 164
3	2	GLU	GLU	ILE	ILE	C	C	114 - 187	91 - 164
4	2	GLU	GLU	ILE	ILE	D	D	114 - 187	91 - 164
5	2	GLU	GLU	ILE	ILE	E	E	114 - 187	91 - 164
1	3	HIS	HIS	ARG	ARG	A	A	189 - 302	166 - 279
2	3	HIS	HIS	ARG	ARG	B	B	189 - 302	166 - 279
3	3	HIS	HIS	ARG	ARG	C	C	189 - 302	166 - 279
4	3	HIS	HIS	ARG	ARG	D	D	189 - 302	166 - 279
5	3	HIS	HIS	ARG	ARG	E	E	189 - 302	166 - 279

NCS oper:

ID	Code	Matrix	Vector
1	given	(1), (1), (1)
2	given	(0.314692, -0.940704, -0.126669), (0.949103, 0.310003, 0.055692), (-0.013122, -0.137748, 0.99038)	52.21084, -20.07006, 3.98898
3	given	(-0.788991, -0.572123, -0.223983), (0.598305, -0.79835, -0.068324), (-0.139728, -0.187917, 0.972195)	87.21668, 23.65965, 10.56549
4	given	(-0.792343, 0.594685, -0.136174), (-0.570488, -0.80133, -0.180041), (-0.216188, -0.064968, 0.974188)	56.16064, 70.65475, 10.28934
5	given	(0.312936, 0.949772, 0.002039), (-0.939995, 0.310021, -0.142465), (-0.135941, 0.042666, 0.989798)	2.23725, 55.98742, 4.12092

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Protein , 1 types, 5 molecules ABCDE

#1: Protein	Structural protein VP1 Mass: 30994.908 Da / Num. of mol.: 5 / Fragment: UNP residues 31-304 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Trichodysplasia spinulosa-associated polyomavirus Gene: VP1 / Plasmid: pET28b / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: E2ESL7

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Sugars , 3 types, 5 molecules

#2: Polysaccharide

N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose

Type: oligosaccharide / Mass: 674.604 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DNeup5Aca2-3[DGalpNAcb1-4]DGalpb1-ROH	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/3,3,2/[a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O][a2112h-1b_1-5_2NCC/3=O]/1-2-3/a3-b2_a4-c1	WURCS	PDB2Glycan 1.1.0
[][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{}[(4+1)][b-D-GalpNAc]{}}	LINUCS	PDB-CARE

#3: Polysaccharide

beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha- ...

Type: oligosaccharide / Mass: 998.885 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DGalpb1-3DGalpNAcb1-4[DNeup5Aca2-3]DGalpb1-4DGlcpb1-ROH	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O][a2112h-1b_1-5_2NCC/3=O]/1-2-3-4-2/a4-b1_b3-c2_b4-d1_d3-e1	WURCS	PDB2Glycan 1.1.0
[][b-D-Glcp]{[(4+1)][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{}[(4+1)][b-D-GalpNAc]{[(3+1)][b-D-Galp]{}}}}	LINUCS	PDB-CARE

#6: Sugar

ChemComp-SIA / N-acetyl-alpha-neuraminic acid / N-acetylneuraminic acid / sialic acid / alpha-sialic acid / O-SIALIC ACID

Type: D-saccharide, alpha linking / Mass: 309.270 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₁H₁₉NO₉

Identifier	Type	Program
DNeup5Aca	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-a-D-neuraminic acid	COMMON NAME	GMML 1.0
a-D-Neup5Ac	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
Neu5Ac	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

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Non-polymers , 3 types, 1651 molecules

#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₂H₆O₂
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1637 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.42 Å³/Da / Density % sol: 49.12 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 100 mM Na-malonate pH 5.0, 10% PEG 3350, 10 mM GM1 oligosaccharide

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Mar 15, 2012
Radiation	Monochromator: Bartels Monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.5→50 Å / Num. obs: 238315 / % possible obs: 99.4 % / Redundancy: 5.5 % / B_iso Wilson estimate: 21.5 Å² / Net I/σ(I): 16
Reflection shell	Resolution: 1.5→1.54 Å / Redundancy: 5.3 % / % possible all: 99

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0049	refinement
PHASER		phasing
XDS		data reduction
Coot		model building
XSCALE		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4U5Z

4u5z

Resolution: 1.5→50 Å / Cor.coef. F_o:F_c: 0.97 / Cor.coef. F_o:F_c free: 0.96 / SU B: 2.508 / SU ML: 0.048 / Cross valid method: THROUGHOUT / ESU R: 0.064 / ESU R Free: 0.065 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.17994	11948	5 %	RANDOM
R_work	0.15764	-	-	-
obs	0.15874	226492	99.43 %	-

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: 17.962 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.02 Å²	-0 Å²	0 Å²
2-	-	-0.38 Å²	0 Å²
3-	-	-	0.36 Å²

Refinement step

Cycle: 1 / Resolution: 1.5→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10436	0	323	1637	12396

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.009	0.02	11199
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	10381
X-RAY DIFFRACTION	r_angle_refined_deg	1.419	2	15293
X-RAY DIFFRACTION	r_angle_other_deg	0.83	3	24035
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.136	5	1407
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.584	24.928	483
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	11.352	15	1814
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.792	15	50
X-RAY DIFFRACTION	r_chiral_restr	0.083	0.2	1767
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	12563
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2420
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.48	0.836	5448
X-RAY DIFFRACTION	r_mcbond_other	0.479	0.836	5447
X-RAY DIFFRACTION	r_mcangle_it	0.797	1.251	6813
X-RAY DIFFRACTION	r_mcangle_other	0.797	1.251	6814
X-RAY DIFFRACTION	r_scbond_it	0.887	1.016	5751
X-RAY DIFFRACTION	r_scbond_other	0.886	1.016	5751
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.344	1.48	8444
X-RAY DIFFRACTION	r_long_range_B_refined	5.75	9.127	13859
X-RAY DIFFRACTION	r_long_range_B_other	5.75	9.126	13858
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Dom-ID: 1 / Ens-ID: 1 / Number: 3421 / Refine-ID: X-RAY DIFFRACTION

Auth asym-ID	Type	Rms dev position (Å)	Weight position
A	loose positional	0.34	5
B	loose positional	0.37	5
C	loose positional	0.33	5
D	loose positional	0.38	5
E	loose positional	0.37	5
A	loose thermal	0.72	10
B	loose thermal	1.12	10
C	loose thermal	0.88	10
D	loose thermal	0.89	10
E	loose thermal	0.78	10

LS refinement shell

Resolution: 1.5→1.539 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.266	874	-
R_work	0.253	16639	-
obs	-	-	99.65 %

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	0.5626	0.0634	-0.7724	1.3542	0.8584	5.7171	0.0164	0.2617	0.0533	-0.1748	-0.0676	0.1668	-0.2312	-0.3776	0.0511	0.0259	0.0202	-0.026	0.1366	-0.0109	0.1337	9.7542	22.9039	2.7993
2	1.6974	-1.1189	0.5256	5.9065	-2.2666	2.5866	-0.0792	-0.2608	-0.0665	0.5161	0.1739	0.3232	-0.0008	-0.2772	-0.0947	0.0889	-0.032	0.0579	0.0851	-0.0203	0.0508	12.9551	14.7224	32.7487
3	0.627	0.0591	-0.4199	0.6431	-0.4111	3.1411	-0.0029	0.2171	-0.0571	-0.1398	-0.0423	0.1544	0.1749	-0.3748	0.0452	0.0411	0.0038	-0.0108	0.1102	-0.0472	0.1136	8.6935	17.3696	1.7122
4	0.3159	-0.021	0.0503	0.9672	0.1072	0.3215	0.0376	0.016	-0.0279	0.0595	-0.0521	0.1537	0.0334	-0.0428	0.0145	0.0185	-0.0122	0.0213	0.0345	-0.0199	0.0522	18.1923	15.8383	18.9416
5	0.6798	0.1618	0.6421	0.8193	0.4178	3.9466	-0.0025	0.1388	-0.0312	-0.0765	-0.0121	0.1006	0.0119	-0.0394	0.0146	0.0103	0.0003	0.0019	0.0395	-0.0214	0.0773	15.6124	20.7704	6.7038
6	1.4211	0.2417	0.208	1.4434	0.2187	2.1522	-0.0432	0.3166	0.1309	-0.2633	-0.0001	0.0988	-0.1965	0.0191	0.0433	0.076	0.0041	0.0054	0.0732	0.0286	0.0645	27.6066	52.8532	10.8418
7	1.5173	0.5891	-0.7138	2.2517	-1.065	3.3648	0.0177	0.0071	0.15	0.0851	-0.0113	0.2871	-0.2522	-0.0566	-0.0063	0.0324	0.0017	0.0225	0.0036	-0.0115	0.099	19.0224	47.5949	24.1128
8	0.9392	0.1423	0.1333	0.8712	0.0678	0.3462	-0.0057	0.0468	0.0653	0.0449	-0.0187	0.165	-0.0194	-0.0483	0.0244	0.0251	0.0011	0.0268	0.0128	-0.004	0.0513	22.6886	41.9643	19.5382
9	2.3316	0.3222	-0.4197	0.6102	0.3766	1.045	-0.0778	0.3982	-0.0244	-0.2324	0.0245	0.1217	0.003	-0.0729	0.0533	0.1357	0.0104	-0.0456	0.0778	0.0037	0.0643	28.2965	45.0937	3.1957
10	1.2075	0.0106	0.6611	1.601	-1.1783	5.1564	-0.0205	0.1399	0.1242	-0.0451	-0.066	0.032	-0.1336	-0.028	0.0865	0.0144	0.004	0.0081	0.0255	0.0082	0.0385	29.2268	46.9029	14.5805
11	1.1341	-0.6291	0.242	1.4651	-0.2137	3.0588	0.0319	0.2484	0.2367	-0.213	-0.1364	-0.2925	-0.1179	0.1816	0.1045	0.0566	-0.011	0.0428	0.0711	0.0608	0.2026	59.7251	47.258	10.0338
12	5.7944	-2.9149	-2.4742	2.3011	1.4135	3.6516	-0.2673	-0.7081	0.3337	0.4905	0.3239	-0.275	-0.016	0.3543	-0.0566	0.1802	0.0141	-0.0645	0.0895	-0.0312	0.0786	50.1503	45.4661	38.7717
13	0.5128	-0.0552	-0.2462	0.7497	-0.1519	3.1163	0.0734	0.145	0.2044	-0.0601	-0.1347	-0.2699	-0.3499	0.1874	0.0613	0.0553	0.0113	0.0242	0.0888	0.0872	0.1958	59.3124	51.6048	9.4925
14	0.4169	-0.3916	0.1102	1.1326	0.0264	0.0525	-0.004	-0.038	0.0564	0.213	0.0004	-0.1343	0.0308	-0.0124	0.0036	0.0648	-0.0187	-0.0248	0.017	0.0069	0.0498	50.5911	38.0582	28.9717
15	0.8108	-0.2818	-0.2899	1.0203	-0.0296	0.4398	0.0523	0.079	0.1205	-0.0389	-0.0753	-0.163	-0.0207	0.0088	0.023	0.0142	-0.0009	-0.0001	0.0176	0.0265	0.0678	50.7031	46.7231	16.7308
16	2.0033	0.7314	-1.4086	2.7046	-1.9848	7.3453	-0.1363	0.2952	0.0379	-0.4028	0.0485	-0.0084	-0.0614	-0.086	0.0878	0.1271	0.0248	0.0238	0.1535	0.0197	0.1399	67.4984	15.6894	-7.5081
17	0.5503	0.0728	-0.098	0.7676	0.0881	1.8372	-0.0584	-0.0147	-0.0076	0.011	-0.0178	-0.2232	0.128	0.1745	0.0762	0.0307	0.0048	-0.0277	0.0225	0.0246	0.1316	65.771	13.6852	18.9723
18	0.7002	0.3522	0.0106	0.8707	-0.1142	0.0281	0.0032	-0.1054	0.0529	0.1201	-0.0334	-0.1196	-0.0015	-0.0018	0.0302	0.0733	0.0053	-0.0255	0.0252	0.0013	0.0547	54.3483	16.3246	27.7419
19	0.6395	0.0898	-0.1541	0.9431	0.4237	0.6696	-0.0094	0.0272	0.0562	-0.012	0.01	-0.2054	-0.0001	0.0354	-0.0007	0.0228	-0.0037	-0.0174	0.0096	0.0185	0.1049	62.2685	22.0217	18.6663
20	1.6101	0.6707	-3.025	0.7783	-1.0891	6.6253	-0.0577	0.0958	-0.0613	-0.1222	-0.0905	-0.1701	-0.1378	-0.0119	0.1483	0.0776	-0.0248	-0.0031	0.0927	0.0452	0.0849	63.7232	14.4657	3.3317
21	7.6384	-0.6367	-4.3316	1.927	0.9301	6.8403	0.2486	0.6448	0.0012	-0.2303	-0.2244	-0.0271	-0.2345	-0.4847	-0.0242	0.1498	0.0324	-0.0018	0.0744	-0.009	0.0528	38.484	-1.3533	-11.4771
22	0.5271	-0.0002	0.0161	0.4295	-0.0474	1.2019	-0.0127	0.0381	-0.1211	0.0497	-0.0259	0.0325	0.1727	-0.0514	0.0387	0.0692	-0.014	0.006	0.008	-0.0095	0.0423	35.2502	-4.9062	20.4816
23	0.7495	-0.5277	-0.7278	1.0925	0.8627	1.2184	-0.0193	-0.0072	-0.0334	0.0426	-0.019	0.041	0.0206	0.0006	0.0383	0.0259	-0.0106	-0	0.0055	0.0026	0.0101	31.8723	6.0845	15.1976
24	1.5304	0.4134	0.1894	0.7674	0.0825	1.5671	-0.016	0.0575	-0.2513	0.0328	0.0134	-0.1553	0.1667	0.0987	0.0026	0.0555	0.0068	-0.0005	0.0086	-0.0051	0.0575	50.5413	-4.7085	20.7216
25	0.349	-0.1983	-0.0842	0.7545	0.5563	1.8475	0.0206	0.0452	-0.0102	-0.0642	-0.0322	-0.0402	-0.0346	-0.0093	0.0115	0.0267	-0.0092	0.0072	0.0134	-0.0034	0.0098	37.0975	4.8419	9.2679

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	33 - 64
2	X-RAY DIFFRACTION	2	A	65 - 81
3	X-RAY DIFFRACTION	3	A	82 - 121
4	X-RAY DIFFRACTION	4	A	122 - 248
5	X-RAY DIFFRACTION	5	A	249 - 303
6	X-RAY DIFFRACTION	6	B	33 - 69
7	X-RAY DIFFRACTION	7	B	70 - 101
8	X-RAY DIFFRACTION	8	B	109 - 240
9	X-RAY DIFFRACTION	9	B	241 - 271
10	X-RAY DIFFRACTION	10	B	272 - 303
11	X-RAY DIFFRACTION	11	C	24 - 64
12	X-RAY DIFFRACTION	12	C	65 - 81
13	X-RAY DIFFRACTION	13	C	82 - 121
14	X-RAY DIFFRACTION	14	C	122 - 179
15	X-RAY DIFFRACTION	15	C	180 - 303
16	X-RAY DIFFRACTION	16	D	33 - 49
17	X-RAY DIFFRACTION	17	D	50 - 121
18	X-RAY DIFFRACTION	18	D	122 - 179
19	X-RAY DIFFRACTION	19	D	180 - 285
20	X-RAY DIFFRACTION	20	D	286 - 303
21	X-RAY DIFFRACTION	21	E	33 - 49
22	X-RAY DIFFRACTION	22	E	50 - 103
23	X-RAY DIFFRACTION	23	E	104 - 162
24	X-RAY DIFFRACTION	24	E	163 - 220
25	X-RAY DIFFRACTION	25	E	221 - 303

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