PDB-5zju: Crystal structure of in vitro expressed and assembled PCV2 Virus-...

ID or keywords:

Entry

Database: PDB / ID: 5zju

Title

Crystal structure of in vitro expressed and assembled PCV2 Virus-like Particle

Components

Capsid protein

Keywords

VIRUS / PCV2 capsid protein

Function / homology

Function and homology information

viral capsid assembly / T=1 icosahedral viral capsid / viral penetration into host nucleus / symbiont entry into host cell / virion attachment to host cell
Similarity search - Function

Biological species

Porcine circovirus 2

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.8 Å

Authors

Yuan, Y.A. / Mo, X.

Citation

Journal: PLoS Pathog / Year: 2019
Title: Structural roles of PCV2 capsid protein N-terminus in PCV2 particle assembly and identification of PCV2 type-specific neutralizing epitope.
Authors: Xiaobing Mo / Xiangdong Li / Bo Yin / Junhua Deng / Kegong Tian / Adam Yuan /

Abstract: Postweaning multisystemic wasting disease (PMWS) in piglets caused by porcine circovirus type 2 (PCV2) is one of the major threats to most pig farms worldwide. Among all the PCV types, PCV2 is the ...Postweaning multisystemic wasting disease (PMWS) in piglets caused by porcine circovirus type 2 (PCV2) is one of the major threats to most pig farms worldwide. Among all the PCV types, PCV2 is the dominant genotype causing PMWS and associated diseases. Considerable efforts were made to study the virus-like-particle (VLP) assembly and the specific PCV2-associated epitope(s) in order to establish the solid foundation for engineered PCV2 vaccine development. Although the N-terminal fragment including Nuclear Localization Signal (NLS) sequence seems important for recombinant PCV2 capsid protein expression and VLP assembly, the detailed structural and functional information regarding this important fragment are largely unknown. In this study, we report crystal structure of PCV2 VLP assembled from N-terminal NLS truncated PCV2 capsid protein at 2.8 Å resolution and cryo-EM structure of PCV2 VLP assembled from full-length PCV2 capsid protein at 4.1Å resolution. Our in vitro PCV2 VLP assembly results show that NLS-truncated PCV2 capsid protein only forms instable VLPs which were easily disassembled in solution, whereas full-length PCV2 capsid protein forms stable VLPs due to interaction between 15PRSHLGQILRRRP27 (α-helix) and 33RHRYRWRRKN42 (NLS-B) in a repeated manner. In addition, our results also showed that N-terminal truncation of PCV2 capsid protein up to 27 residues still forms PCV2 particles in solution with similar size and immunogenicity, while N-terminal truncation of PCV2 capsid protein with more than 30 residues is not able to form stable PCV2 particles in solution, demonstrating the importance of interaction between the α-helix at N-terminal and NLS-B in PCV2 VLP formation. Moreover, we also report the cryo-EM structure of PCV2 VLP in complex with 3H11-Fab, a PCV2 type-specific neutralizing antibody, at 15 Å resolution. MAb-3H11 specifically recognizes one exposed epitope located on the VLP surface EF-loop (residues 128-143), which is further confirmed by PCV1-PCV2 epitope swapping assay. Hence, our results have revealed the structural roles of N-terminal fragment of PCV2 capsid protein in PCV2 particle assembly and pinpointed one PCV2 type-specific neutralizing epitope for the first time, which could provide clear clue for next generation PCV2 vaccine and diagnostic kits development.

History

Deposition	Mar 22, 2018	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Feb 20, 2019	Provider: repository / Type: Initial release
Revision 1.1	Mar 13, 2019	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Nov 22, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	5zju_validation.pdf.gz	896.8 KB	Display	wwPDB validaton report
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Data in XML	5zju_validation.xml.gz	410 KB	Display
Data in CIF	5zju_validation.cif.gz	579.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/zj/5zju ftp://data.pdbj.org/pub/pdb/validation_reports/zj/5zju	HTTPS FTP

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Related structure data

Related structure data	6746C 6961C 5zboC 3r0rS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6e2r-d 3r0r-2 6e2x-d 3jci-1 6rpk-1 6ola-d 6dzu-d 6rpo-1 6e30-d 5j36-1 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	#200 - Aug 2016 Quasisymmetry in Icosahedral Viruses similarity (1)

Deposited unit

A: Capsid protein

B: Capsid protein

C: Capsid protein

D: Capsid protein

E: Capsid protein

F: Capsid protein

G: Capsid protein

H: Capsid protein

I: Capsid protein

J: Capsid protein

K: Capsid protein

L: Capsid protein

M: Capsid protein

N: Capsid protein

O: Capsid protein

P: Capsid protein

Q: Capsid protein

R: Capsid protein

S: Capsid protein

T: Capsid protein

U: Capsid protein

V: Capsid protein

W: Capsid protein

X: Capsid protein

Y: Capsid protein

Z: Capsid protein

1: Capsid protein

2: Capsid protein

3: Capsid protein

4: Capsid protein

5: Capsid protein

6: Capsid protein

7: Capsid protein

8: Capsid protein

9: Capsid protein

a: Capsid protein

b: Capsid protein

c: Capsid protein

d: Capsid protein

e: Capsid protein

f: Capsid protein

g: Capsid protein

h: Capsid protein

i: Capsid protein

j: Capsid protein

k: Capsid protein

l: Capsid protein

m: Capsid protein

n: Capsid protein

o: Capsid protein

p: Capsid protein

q: Capsid protein

r: Capsid protein

s: Capsid protein

t: Capsid protein

u: Capsid protein

v: Capsid protein

w: Capsid protein

x: Capsid protein

y: Capsid protein

1.45 MDa, 60 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software
Evidence: scanning transmission electron microscopy, The cryo-EM structure is also determined, together with DLS.

Unit cell

Length a, b, c (Å)	194.116, 201.877, 231.281
Angle α, β, γ (deg.)	90.00, 90.72, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	... Capsid protein Mass: 24126.051 Da / Num. of mol.: 60 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Porcine circovirus 2 / Gene: cap / Plasmid: pET / Production host: Escherichia coli (E. coli) / References: UniProt: G0Y2B2
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 4846 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.13 Å³/Da / Density % sol: 60.71 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: Ammonium sulfate, Citrate

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSRRC / Beamline: BL17A / Wavelength: 1 Å
Detector	Type: MAR CCD 165 mm / Detector: CCD / Date: Mar 26, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.8→50 Å / Num. obs: 432268 / % possible obs: 99.4 % / Redundancy: 3.8 % / Net I/σ(I): 13.5
Reflection shell	Resolution: 2.8→2.85 Å / Mean I/σ(I) obs: 2.31

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
HKL-2000		data reduction
HKL-2000		data scaling
MoRDa		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3r0r

3r0r

Resolution: 2.8→50 Å / Cor.coef. F_o:F_c: 0.954 / Cor.coef. F_o:F_c free: 0.912 / SU B: 26.017 / SU ML: 0.223 / Cross valid method: THROUGHOUT / ESU R: 1.035 / ESU R Free: 0.312 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.22408	21255	4.9 %	RANDOM
R_work	0.16267	-	-	-
obs	0.1657	410467	99.05 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso mean: 42.029 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.96 Å²	-0 Å²	-0.92 Å²
2-	-	-0.71 Å²	-0 Å²
3-	-	-	-1.23 Å²

Refinement step

Cycle: 1 / Resolution: 2.8→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	92840	0	0	4846	97686

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.019	0.02	95720
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	84410
X-RAY DIFFRACTION	r_angle_refined_deg	2.028	1.931	130310
X-RAY DIFFRACTION	r_angle_other_deg	1.13	3	195610
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	9.074	5	11230
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.052	22.683	4920
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.99	15	14840
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.991	15	840
X-RAY DIFFRACTION	r_chiral_restr	0.113	0.2	13700
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.021	106510
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	22090
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	2.513	3.544	45100
X-RAY DIFFRACTION	r_mcbond_other	2.513	3.544	45099
X-RAY DIFFRACTION	r_mcangle_it	4.244	5.305	56270
X-RAY DIFFRACTION	r_mcangle_other	4.244	5.305	56271
X-RAY DIFFRACTION	r_scbond_it	2.529	3.712	50620
X-RAY DIFFRACTION	r_scbond_other	2.529	3.712	50621
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	4.171	5.473	74041
X-RAY DIFFRACTION	r_long_range_B_refined	6.996	38.971	104407
X-RAY DIFFRACTION	r_long_range_B_other	6.943	39.023	103445
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.802→2.875 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.319	1465	-
R_work	0.246	29533	-
obs	-	-	96.5 %

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	0.1078	0.1625	0.0593	0.5087	0.0496	0.0636	0.0082	-0.0415	0.0072	0.0151	-0.0276	0.0068	0.0054	-0.0087	0.0195	0.0858	0.0036	0.0172	0.059	0.0064	0.0597	21.682	-20.1979	131.2692
2	0.1725	0.0596	-0.1384	0.1101	-0.0063	0.131	0.0308	-0.0559	-0.0033	0.0139	-0.0401	0.0094	-0.0163	0.035	0.0093	0.0805	-0.0114	-0.0111	0.0931	-0.0171	0.0402	50.9204	15.2326	136.8773
3	0.202	-0.0342	0.0052	0.104	0.001	0.0003	-0.0215	-0.0343	0.0057	0.0086	0.0196	0.0039	0.0013	-0.0022	0.0019	0.093	-0.0036	0.0234	0.0526	-0.0162	0.0698	17.1052	17.7645	130.0327
4	0.1373	0.073	0.1787	0.1025	0.0925	0.2413	0.0119	0.0029	-0.0024	0.0092	0.0022	-0.0054	-0.0106	-0.0069	-0.0141	0.0987	0.013	0.0285	0.0444	-0.0087	0.066	-16.6575	24.8806	98.8846
5	0.2656	-0.1592	0.0505	0.1405	-0.094	0.1223	-0.0168	-0.0044	0.0001	0.0173	-0.0017	0.0147	-0.0098	0.0129	0.0185	0.0905	-0.0071	0.0165	0.0438	0.0116	0.073	11.0175	-46.7125	111.6199
6	0.1523	-0.1227	0.0402	0.2869	-0.0987	0.0343	0.0008	-0.0114	-0.0221	0.0117	0.0024	0.0136	-0.0099	-0.0011	-0.0032	0.1016	0.0083	0.0156	0.0504	-0.0047	0.0622	-9.2208	-5.1308	114.1888
7	0.369	0.1405	0.0189	0.2312	0.0439	0.0182	-0.0131	-0.0098	-0.0071	0.0271	0.0031	0.0097	0.001	0.0302	0.01	0.0602	0.0091	-0.0122	0.1004	0.0128	0.0508	56.0161	-22.7194	134.8101
8	0.3373	0.2245	-0.186	0.1565	-0.1044	0.4209	-0.0384	-0.0437	0.0383	-0.0186	0.0071	0.0354	0.0716	0.1131	0.0313	0.0304	0.0474	-0.0034	0.1619	0.0402	0.0341	97.2769	-28.0047	114.4534
9	0.2981	-0.0041	-0.1446	0.1508	0.0428	0.0939	-0.0147	-0.0497	-0.0498	0.0346	-0.0104	-0.0027	-0.0065	0.0409	0.0251	0.0473	-0.0154	-0.0101	0.1374	0.0045	0.0456	85.6242	1.0041	128.9053
10	0.2894	-0.051	0.0848	0.0122	-0.0356	0.2116	0.039	-0.0603	0.0094	0.0074	-0.004	0.0011	-0.0636	0.0545	-0.0349	0.0935	-0.0683	0.0224	0.091	-0.0412	0.0526	66.6112	42.7589	122.9112
11	0.0681	-0.0891	0.0631	0.1855	-0.0471	0.0961	0.0035	0.0112	-0.0139	0.0137	0.0195	0.0055	-0.0347	0.0288	-0.023	0.1072	-0.0094	0.032	0.04	-0.0224	0.0694	12.05	46.728	111.8685
12	0.1476	-0.0729	0.0003	0.0399	0.0214	0.2928	0.016	-0.0176	0.0252	0.0048	0.0019	-0.0038	-0.0447	-0.0084	-0.0179	0.1435	-0.032	0.0541	0.0097	-0.0169	0.0768	23.5902	74.2621	76.7461
13	0.2455	0.1562	-0.0514	0.322	-0.0723	0.0509	0.0245	-0.041	0.0428	0.0162	-0.0166	0.0475	-0.0221	-0.0078	-0.0079	0.1187	0.0094	0.0351	0.0243	-0.0247	0.0593	-5.7092	55.9428	79.1618
14	0.0242	0.0904	-0.0673	0.4636	-0.1751	0.2621	-0.0043	0.0025	0.0087	0.008	0.0162	0.0369	-0.0181	-0.0345	-0.0118	0.0747	0.03	0.0184	0.0747	-0.0125	0.0618	-30.0472	18.1621	67.7268
15	0.0664	-0.0371	-0.0101	0.3588	0.2085	0.1239	-0.0054	0.0083	-0.0032	0.015	-0.0123	0.0236	0.0153	-0.0043	0.0177	0.0953	0.0129	0.017	0.0446	0.0037	0.0719	-17.875	-30.4849	92.2879
16	0.0504	-0.0857	-0.0897	0.2026	0.1428	0.1945	-0.0259	0.022	-0.0122	0.014	0.0021	0.0184	0.0242	-0.0443	0.0238	0.084	-0.0058	0.006	0.0592	-0.0053	0.0693	-15.6003	-48.6786	49.8448
17	0.2392	0.0776	0.0817	0.0487	0.1038	0.3334	-0.0088	-0.0314	-0.0382	0.0018	-0.0007	0.0086	0.0248	0.0441	0.0095	0.0993	0.0281	0.0159	0.0504	0.0276	0.0757	38.5793	-65.743	103.2267
18	0.0599	-0.0141	0.1102	0.0868	0.0468	0.3125	-0.0002	-0.0099	-0.0393	-0.0061	0.0142	0.0263	0.0062	0.004	-0.014	0.0965	0.0028	0.025	0.0452	0.0097	0.0735	0.0247	-61.293	77.9541
19	0.1265	-0.107	-0.2272	0.184	0.1609	0.4928	-0.0154	-0.0079	-0.0023	0.033	0.0192	-0.0019	0.0298	0.0592	-0.0038	0.0564	0.0432	0.0068	0.0984	0.028	0.0514	66.4315	-50.6772	117.2978
20	0.1576	-0.0444	-0.1083	0.0435	0.1334	0.4601	-0.0354	-0.0335	-0.0077	0.0053	-0.0025	0.0046	0.0632	0.0366	0.0379	0.0917	0.0559	0.0323	0.0687	0.0402	0.0563	65.95	-75.6125	78.2039
21	0.1318	0.0697	0.0096	0.2487	0.1561	0.113	-0.001	-0.0151	-0.0277	0.0278	0.003	-0.0199	0.028	0.0349	-0.0019	0.0688	0.0756	0.008	0.1496	0.0464	0.0301	92.9109	-57.5608	90.3929
22	0.1307	0.1156	-0.0365	0.3872	0.1256	0.1133	0.0077	-0.0303	-0.0253	-0.0067	0.0057	-0.0761	0.0031	0.0569	-0.0134	0.0172	0.0224	-0.0025	0.1937	0.0151	0.028	119.2079	-19.4595	88.9829
23	0.0654	0.0132	-0.0069	0.4399	-0.2257	0.1241	0.0267	-0.0451	0.0076	-0.0013	-0.0282	-0.0057	-0.0136	0.0477	0.0014	0.0504	-0.0701	-0.0099	0.1554	-0.0216	0.0363	99.9906	27.5448	111.9245
24	0.0369	-0.0583	0.0763	0.341	-0.1475	0.2408	0.0073	-0.0221	0.0055	-0.0157	0.0081	-0.0288	-0.0492	0.0563	-0.0154	0.0651	-0.0863	0.0151	0.1391	-0.0328	0.0477	110.2546	48.4147	71.8498
25	0.0632	-0.019	-0.1176	0.135	-0.0139	0.2497	0.0197	-0.052	0.0234	-0.0038	0.0145	0.0106	-0.0164	0.0735	-0.0342	0.0896	-0.0846	0.0174	0.1034	-0.0394	0.0419	86.8342	59.3102	94.8219
26	0.0155	0.0004	-0.0112	0.0182	-0	0.0336	0.0083	-0.0096	0.0047	0.0037	-0.0026	0.0052	-0.0202	0.0158	-0.0057	0.0568	-0.0068	0.0154	0.0458	-0.0053	0.0617	42.537	13.444	68.531
27	0.3527	-0.0918	0.072	0.1033	-0.0745	0.0758	0.0163	-0.0251	0.0434	0.0163	-0.004	-0.0116	-0.0615	0.0248	-0.0124	0.1227	-0.0572	0.0445	0.0347	-0.0435	0.0811	62.0434	76.5087	77.8524
28	0.4541	0.1699	0.1221	0.1511	0.1213	0.1044	0.0277	0.0006	0.0294	-0.0299	-0.0055	-0.0069	-0.0555	0.0006	-0.0221	0.1535	-0.0148	0.0509	0.0022	-0.0045	0.08	31.6261	77.4451	43.2429
29	0.0556	-0.0465	-0.0223	0.0785	0.0313	0.3386	-0.0094	-0.0095	0.0041	-0.0058	0.0094	0.0087	0.0335	-0.0028	0	0.0721	0.0052	0.0105	0.063	-0.0045	0.0727	-30.7845	-16.2295	63.6522
30	0.0681	0.0593	-0.0529	0.0962	-0.0628	0.3467	-0.0048	0.0266	0.0186	0.0154	-0.0085	0.0215	-0.0181	-0.0347	0.0133	0.0938	0.0322	0.0064	0.0621	-0.0044	0.055	-25.9238	14.8687	29.7649
31	0.1	0.1088	0.1188	0.2346	0.0697	0.1905	0.0063	-0.0055	0.0014	0.0114	0.0036	0.0075	-0.033	-0.0357	-0.0099	0.1109	0.0389	0.0237	0.0362	0.0018	0.0665	-16.1479	47.5657	47.3786
32	0.1082	0.0055	0.0549	0.148	0.118	0.129	0.0103	-0.0053	-0.0193	-0.0044	0.0156	0.0031	-0.0236	-0.0013	-0.0259	0.1035	0.02	0.0077	0.0502	0.0163	0.0596	-5.3352	29.5013	6.223
33	0.1737	-0.1442	-0.059	0.3027	-0.0862	0.1265	-0.0049	0.0108	-0.0056	-0.015	0.0124	-0.0096	0.0012	-0.0262	-0.0075	0.1048	-0.0072	0.006	0.0504	-0.0131	0.0603	3.9452	-56.8526	22.5726
34	0.0171	-0.0033	-0.0032	0.2512	0.0349	0.0576	-0.0093	-0.001	-0.0026	-0.0206	0.0078	0.0092	-0.0006	-0.0206	0.0015	0.0868	0.0013	0.0005	0.0765	-0.0071	0.0522	-23.3715	-19.474	26.1922
35	0.2175	-0.1174	-0.0423	0.1298	0.0665	0.0631	-0.025	-0.0116	-0.0274	0.019	-0.0163	0.0193	0.0519	0.0073	0.0413	0.1096	0.0197	0.0323	0.0361	0.0229	0.0807	29.1602	-77.7326	67.9525
36	0.1074	0.1073	-0.0323	0.1785	-0.082	0.0762	-0.0475	0.0032	0.0049	-0.0353	0.0174	-0.0133	0.0629	0.0139	0.0301	0.1166	0.051	0.0396	0.0574	0.0169	0.0609	68.2675	-76.4235	43.8666
37	0.0771	-0.0894	-0.0869	0.1089	0.0855	0.4343	0.0105	-0.0231	0.024	-0.0088	0.0003	-0.0341	-0.032	0.0901	-0.0108	0.0278	-0.0561	-0.0058	0.1822	-0.0042	0.0296	120.9082	14.981	87.4648
38	0.0663	0.0398	-0.0699	0.0546	0.0543	0.5466	-0.0027	-0.0268	-0.0047	-0.0023	0.01	-0.0278	0.023	0.1025	-0.0072	0.0148	0.0126	0.0079	0.1525	0.0109	0.0547	126.5984	-13.7926	51.7081
39	0.1695	0.0775	-0.2007	0.1228	-0.0941	0.2559	-0.027	-0.0337	0.0076	-0.0173	0.0089	-0.0338	0.0373	0.0696	0.0182	0.0406	0.0526	0.0046	0.13	0.0241	0.0536	112.2348	-47.3452	63.6222
40	0.1337	0.0154	0.0181	0.2602	-0.1981	0.1725	-0.0083	-0.0237	0.0179	-0.0313	-0.0109	-0.0412	0.0374	0.0275	0.0192	0.0505	0.0257	0.0186	0.0887	-0.0004	0.0759	114.148	-26.8884	22.4327
41	0.2474	-0.0644	-0.0782	0.2497	0.1239	0.0788	0.0103	-0.0199	0.0371	0.005	-0.0034	0.0083	-0.0141	0.0307	-0.0069	0.1035	-0.0625	0.0431	0.0962	-0.0168	0.0488	99.6191	58.5609	40.5393
42	0.0985	-0.1102	-0.0452	0.2183	0.052	0.1544	0.0209	-0.0442	0.0176	-0.004	-0.0261	-0.0593	-0.0261	0.0696	0.0052	0.0322	-0.0407	0.0097	0.1487	-0.0113	0.057	124.9013	20.7591	49.7435
43	0.2382	-0.1532	-0.0761	0.1671	-0.0378	0.1344	0.0071	-0.0008	0.0234	0.0272	-0.0031	-0.0147	-0.0404	0.0076	-0.004	0.1136	-0.0359	0.04	0.0146	0.0007	0.0851	51.1853	65.6169	12.3451
44	0.2546	0.0224	-0.178	0.0212	-0.0373	0.2262	-0.0021	0.0339	0.0134	-0.0028	0.0134	0.0059	-0.0661	-0.0199	-0.0113	0.1294	0.0149	0.0231	0.0284	0.0055	0.0631	6.9566	60.5345	25.1193
45	0.1198	0.0563	0.1081	0.0364	0.0902	0.5072	0.0496	-0.0167	0.0246	-0.0054	0.0042	-0.0108	-0.0438	0.0121	-0.0538	0.1238	-0.0473	0.05	0.0189	-0.0242	0.0889	69.8974	76.0404	44.2618
46	0.03	0.0288	0.0719	0.1241	0.1278	0.2199	-0.0026	0.0028	0.0152	0.0075	0.0015	0.0066	-0.0203	0.0085	0.0011	0.0947	-0.0415	0.0429	0.0467	0.0031	0.0882	82.1076	51.2033	7.4203
47	0.1271	0.0262	-0.0474	0.0692	-0.0185	0.1283	-0.0061	0.0014	-0.0145	-0.0348	0.0104	0.0119	-0.0712	-0.0006	-0.0043	0.1089	-0.0045	0.0193	0.0387	0.025	0.0638	27.6297	46.2207	-3.8628
48	0.3812	0.2318	-0.0691	0.1697	-0.0985	0.153	0.0223	-0.0004	0.0158	-0.0176	-0.0057	0.0108	0.016	-0.0041	-0.0166	0.1008	0.0151	-0.0021	0.0464	0.0078	0.0598	9.7289	4.2837	-12.1728
49	0.4359	-0.0719	-0.0428	0.2128	0.0826	0.0344	-0.0213	0.0325	0.0191	-0.017	0.0143	0.0017	0.0016	-0.0022	0.007	0.1038	-0.0016	0.0079	0.0557	0.0074	0.0482	39.8502	-18.3037	-19.59
50	0.4793	-0.1919	-0.1849	0.0815	0.0755	0.2232	-0.0096	0.0257	0.0073	-0.0057	-0.0032	-0.0153	-0.0011	-0.0431	0.0128	0.0961	0.0092	0.0033	0.0516	-0.0041	0.0597	-1.328	-26.0247	0.316
51	0.0912	0.0406	-0.1223	0.0342	-0.0932	0.3656	-0.0267	0.0119	-0.0051	-0.0142	0.0076	-0.0011	0.064	-0.004	0.0192	0.0989	0.006	0.0303	0.0353	0.0016	0.0746	31.4371	-74.7252	33.4981
52	0.0924	0.1084	-0.0859	0.2045	-0.1426	0.1985	0.0043	0.0147	-0.0131	-0.0217	0.0018	0.0168	0.0232	-0.01	-0.0061	0.1031	-0.0045	0.0176	0.0412	-0.0101	0.0693	30.154	-47.5826	-3.8277
53	0.0684	0.0366	0.0781	0.0532	-0.0313	0.2717	-0.0138	0.0055	-0.0269	-0.0205	0.0118	-0.0291	0.0412	0.0311	0.002	0.0747	0.0525	0.0278	0.0836	0.0096	0.0615	96.7635	-58.7661	34.6201
54	0.3326	-0.1451	0.1421	0.146	-0.1252	0.1511	-0.0074	0.0044	-0.0188	-0.0058	-0.0024	-0.0026	0.0251	0.0069	0.0099	0.0906	0.02	0.0376	0.0508	-0.0036	0.0646	58.4018	-62.6233	9.3924
55	0.1017	0.1451	0.0779	0.2536	0.0883	0.1338	-0.0241	-0.0057	-0.0208	-0.0594	0.0283	-0.0308	-0.0131	0.0276	-0.0042	0.065	-0.0084	0.0267	0.0706	0.0054	0.079	104.6782	-0.348	1.896
56	0.2558	0.1472	0.0548	0.1438	0.1043	0.1142	-0.0222	-0.01	-0.0083	-0.0283	0.0039	-0.0045	0.0063	0.0178	0.0183	0.0876	0.0251	0.0233	0.0702	0.0001	0.0595	85.5105	-42.4104	2.0121
57	0.0719	-0.0984	0.0344	0.1507	-0.1049	0.2689	0.0281	-0.034	0.002	-0.037	0.0208	0.0074	-0.0114	0.0392	-0.0489	0.0663	-0.0348	0.0255	0.0836	-0.0093	0.0618	111.2593	28.9525	19.0583
58	0.2864	-0.0934	0.1008	0.1555	-0.075	0.0522	-0.0058	0.0144	0.0068	-0.0193	0.0125	-0.0044	-0.0008	0.0071	-0.0067	0.0844	-0.0207	0.0269	0.064	0.004	0.0654	77.7015	22.7962	-12.4669
59	0.0514	-0.0771	0.0659	0.4619	-0.1417	0.1094	-0.0051	0.0112	0.0183	-0.0372	0.0065	-0.0067	0.0189	0.0161	-0.0014	0.0892	-0.0012	0.024	0.0642	-0.0032	0.0585	73.9605	-14.9334	-16.1332
60	0.2205	-0.0638	-0.143	0.3458	0.0533	0.0939	0.0311	0.013	0.01	-0.0229	-0.0198	0.0217	-0.0219	-0.0052	-0.0113	0.1102	-0.0052	-0.0031	0.0505	0.0169	0.0562	44.1662	19.659	-19.5054

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	43 - 230
2	X-RAY DIFFRACTION	2	B	43 - 230
3	X-RAY DIFFRACTION	3	C	43 - 230
4	X-RAY DIFFRACTION	4	D	43 - 230
5	X-RAY DIFFRACTION	5	E	43 - 230
6	X-RAY DIFFRACTION	6	F	43 - 230
7	X-RAY DIFFRACTION	7	G	43 - 230
8	X-RAY DIFFRACTION	8	H	43 - 230
9	X-RAY DIFFRACTION	9	I	43 - 230
10	X-RAY DIFFRACTION	10	J	43 - 230
11	X-RAY DIFFRACTION	11	K	43 - 230
12	X-RAY DIFFRACTION	12	L	43 - 231
13	X-RAY DIFFRACTION	13	M	43 - 230
14	X-RAY DIFFRACTION	14	N	43 - 230
15	X-RAY DIFFRACTION	15	O	43 - 230
16	X-RAY DIFFRACTION	16	P	43 - 230
17	X-RAY DIFFRACTION	17	Q	43 - 230
18	X-RAY DIFFRACTION	18	R	43 - 230
19	X-RAY DIFFRACTION	19	S	43 - 230
20	X-RAY DIFFRACTION	20	T	43 - 230
21	X-RAY DIFFRACTION	21	U	43 - 230
22	X-RAY DIFFRACTION	22	V	43 - 230
23	X-RAY DIFFRACTION	23	W	43 - 230
24	X-RAY DIFFRACTION	24	X	43 - 230
25	X-RAY DIFFRACTION	25	Y	43 - 230
26	X-RAY DIFFRACTION	26	Z	43 - 230
27	X-RAY DIFFRACTION	26	1	301 - 366
28	X-RAY DIFFRACTION	26	2	301 - 379
29	X-RAY DIFFRACTION	26	3	301 - 398
30	X-RAY DIFFRACTION	26	4	301 - 396
31	X-RAY DIFFRACTION	26	5	301 - 392
32	X-RAY DIFFRACTION	26	6	301 - 404
33	X-RAY DIFFRACTION	26	7	301 - 388
34	X-RAY DIFFRACTION	26	8	301 - 391
35	X-RAY DIFFRACTION	26	9	301 - 391
36	X-RAY DIFFRACTION	26	A	301 - 394
37	X-RAY DIFFRACTION	26	B	301 - 378
38	X-RAY DIFFRACTION	26	C	301 - 398
39	X-RAY DIFFRACTION	26	D	301 - 391
40	X-RAY DIFFRACTION	26	E	301 - 407
41	X-RAY DIFFRACTION	26	F	301 - 395
42	X-RAY DIFFRACTION	26	G	301 - 390
43	X-RAY DIFFRACTION	26	H	301 - 352
44	X-RAY DIFFRACTION	26	I	301 - 363
45	X-RAY DIFFRACTION	26	J	301 - 365
46	X-RAY DIFFRACTION	26	K	301 - 375
47	X-RAY DIFFRACTION	26	L	301 - 381
48	X-RAY DIFFRACTION	26	M	301 - 396
49	X-RAY DIFFRACTION	26	N	301 - 383
50	X-RAY DIFFRACTION	26	O	301 - 374
51	X-RAY DIFFRACTION	26	P	301 - 394
52	X-RAY DIFFRACTION	26	Q	301 - 383
53	X-RAY DIFFRACTION	26	R	301 - 386
54	X-RAY DIFFRACTION	26	S	301 - 387
55	X-RAY DIFFRACTION	26	T	301 - 374
56	X-RAY DIFFRACTION	26	U	301 - 368
57	X-RAY DIFFRACTION	26	V	301 - 353
58	X-RAY DIFFRACTION	26	W	301 - 355
59	X-RAY DIFFRACTION	26	X	301 - 372
60	X-RAY DIFFRACTION	26	Y	301 - 357
61	X-RAY DIFFRACTION	26	Z	301 - 363
62	X-RAY DIFFRACTION	26	a	301 - 390
63	X-RAY DIFFRACTION	26	b	301 - 363
64	X-RAY DIFFRACTION	26	c	301 - 350
65	X-RAY DIFFRACTION	26	d	301 - 369
66	X-RAY DIFFRACTION	26	e	301 - 376
67	X-RAY DIFFRACTION	26	f	301 - 378
68	X-RAY DIFFRACTION	26	g	301 - 370
69	X-RAY DIFFRACTION	26	h	301 - 380
70	X-RAY DIFFRACTION	26	i	301 - 381
71	X-RAY DIFFRACTION	26	j	301 - 369
72	X-RAY DIFFRACTION	26	k	301 - 378
73	X-RAY DIFFRACTION	26	l	301 - 381
74	X-RAY DIFFRACTION	26	m	301 - 378
75	X-RAY DIFFRACTION	26	n	301 - 394
76	X-RAY DIFFRACTION	26	o	301 - 379
77	X-RAY DIFFRACTION	26	p	301 - 378
78	X-RAY DIFFRACTION	26	q	301 - 402
79	X-RAY DIFFRACTION	26	r	301 - 374
80	X-RAY DIFFRACTION	26	s	301 - 413
81	X-RAY DIFFRACTION	26	t	301 - 376
82	X-RAY DIFFRACTION	26	u	301 - 393
83	X-RAY DIFFRACTION	26	v	301 - 382
84	X-RAY DIFFRACTION	26	w	301 - 394
85	X-RAY DIFFRACTION	26	x	301 - 381
86	X-RAY DIFFRACTION	26	y	301 - 378
87	X-RAY DIFFRACTION	27	1	43 - 230
88	X-RAY DIFFRACTION	28	2	43 - 231
89	X-RAY DIFFRACTION	29	3	43 - 230
90	X-RAY DIFFRACTION	30	4	43 - 230
91	X-RAY DIFFRACTION	31	5	43 - 230
92	X-RAY DIFFRACTION	32	6	43 - 230
93	X-RAY DIFFRACTION	33	7	43 - 230
94	X-RAY DIFFRACTION	34	8	43 - 230
95	X-RAY DIFFRACTION	35	9	43 - 231
96	X-RAY DIFFRACTION	36	a	43 - 231
97	X-RAY DIFFRACTION	37	b	43 - 230
98	X-RAY DIFFRACTION	38	c	43 - 230
99	X-RAY DIFFRACTION	39	d	43 - 230
100	X-RAY DIFFRACTION	40	e	43 - 231
101	X-RAY DIFFRACTION	41	f	43 - 230
102	X-RAY DIFFRACTION	42	g	43 - 230
103	X-RAY DIFFRACTION	43	h	43 - 230
104	X-RAY DIFFRACTION	44	i	43 - 230
105	X-RAY DIFFRACTION	45	j	43 - 230
106	X-RAY DIFFRACTION	46	k	43 - 231
107	X-RAY DIFFRACTION	47	l	43 - 230
108	X-RAY DIFFRACTION	48	m	43 - 230
109	X-RAY DIFFRACTION	49	n	43 - 230
110	X-RAY DIFFRACTION	50	o	43 - 230
111	X-RAY DIFFRACTION	51	p	43 - 231
112	X-RAY DIFFRACTION	52	q	43 - 230
113	X-RAY DIFFRACTION	53	r	43 - 231
114	X-RAY DIFFRACTION	54	s	43 - 230
115	X-RAY DIFFRACTION	55	t	43 - 230
116	X-RAY DIFFRACTION	56	u	43 - 230
117	X-RAY DIFFRACTION	57	v	43 - 230
118	X-RAY DIFFRACTION	58	w	43 - 230
119	X-RAY DIFFRACTION	59	x	43 - 231
120	X-RAY DIFFRACTION	60	y	43 - 231

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