PDB-7f8i: Crystal structure of HPV6 L1 pentamer

ID or keywords:

Entry

Database: PDB / ID: 7f8i

Title

Crystal structure of HPV6 L1 pentamer

Components

Major capsid protein L1

Keywords

VIRAL PROTEIN

Function / homology

Function and homology information

T=7 icosahedral viral capsid / endocytosis involved in viral entry into host cell / host cell nucleus / virion attachment to host cell / structural molecule activity
Similarity search - Function

Biological species

Human papillomavirus type 6

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.366 Å

Authors

Wang, Z.P. / Wang, D.N. / Gu, Y. / Li, S.W.

Funding support

China, 1items

Citation

Journal: To Be Published
Title: Crystal structure of HPV6 L1 pentamer
Authors: Wang, Z.P. / Wang, D.N. / Gu, Y. / Li, S.W.

History

Deposition	Jul 2, 2021	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Jul 6, 2022	Provider: repository / Type: Initial release
Revision 1.1	Nov 29, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._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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Download

PDBx/mmCIF format	7f8i.cif.gz	1.6 MB	Display	PDBx/mmCIF format
PDB format	pdb7f8i.ent.gz		Display	PDB format
PDBx/mmJSON format	7f8i.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7f8i_validation.pdf.gz	531.6 KB	Display	wwPDB validaton report
Full document	7f8i_full_validation.pdf.gz	590.9 KB	Display
Data in XML	7f8i_validation.xml.gz	136.2 KB	Display
Data in CIF	7f8i_validation.cif.gz	180.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/f8/7f8i ftp://data.pdbj.org/pub/pdb/validation_reports/f8/7f8i	HTTPS FTP

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Related structure data

Related structure data	2r5kS S: Starting model for refinement
Similar structure data	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	#221 - May 2018 Human Papillomavirus and Vaccines similarity (4) #47 - Nov 2003 Simian Virus 40 similarity (1) #200 - Aug 2016 Quasisymmetry in Icosahedral Viruses similarity (2)

Deposited unit

A: Major capsid protein L1

B: Major capsid protein L1

C: Major capsid protein L1

D: Major capsid protein L1

E: Major capsid protein L1

F: Major capsid protein L1

G: Major capsid protein L1

H: Major capsid protein L1

I: Major capsid protein L1

J: Major capsid protein L1

551 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Major capsid protein L1

B: Major capsid protein L1

F: Major capsid protein L1

H: Major capsid protein L1

I: Major capsid protein L1

defined by author&software
Evidence: gel filtration
275 kDa, 5 polymers

2

C: Major capsid protein L1

D: Major capsid protein L1

E: Major capsid protein L1

G: Major capsid protein L1

J: Major capsid protein L1

defined by author&software
275 kDa, 5 polymers

Unit cell

Length a, b, c (Å)	308.956, 106.663, 198.708
Angle α, β, γ (deg.)	90.000, 125.960, 90.000
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	(chain A and (resid 12 through 160 or resid 174 through 460))
2	1	(chain B and (resid 12 through 160 or resid 174 through 460))
3	1	(chain C and (resid 12 through 160 or resid 174 through 460))
4	1	(chain D and (resid 12 through 160 or resid 174 through 460))
5	1	(chain E and (resid 12 through 160 or resid 174 through 460))
6	1	(chain F and (resid 12 through 160 or resid 174 through 460))
7	1	(chain G and (resid 12 through 160 or resid 174 through 460))
8	1	(chain H and (resid 12 through 160 or resid 174 through 460))
9	1	(chain I and (resid 12 through 160 or resid 174 through 460))
10	1	(chain J and (resid 12 through 160 or resid 174 through 460))

NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LYS	LYS	LYS	LYS	(chain A and (resid 12 through 160 or resid 174 through 460))	A	A	12 - 160	15 - 163
1	2	CYS	CYS	SER	SER	(chain A and (resid 12 through 160 or resid 174 through 460))	A	A	174 - 460	177 - 463
2	1	LYS	LYS	LYS	LYS	(chain B and (resid 12 through 160 or resid 174 through 460))	B	B	12 - 160	15 - 163
2	2	CYS	CYS	SER	SER	(chain B and (resid 12 through 160 or resid 174 through 460))	B	B	174 - 460	177 - 463
3	1	LYS	LYS	LYS	LYS	(chain C and (resid 12 through 160 or resid 174 through 460))	C	C	12 - 160	15 - 163
3	2	CYS	CYS	SER	SER	(chain C and (resid 12 through 160 or resid 174 through 460))	C	C	174 - 460	177 - 463
4	1	LYS	LYS	LYS	LYS	(chain D and (resid 12 through 160 or resid 174 through 460))	D	D	12 - 160	15 - 163
4	2	CYS	CYS	SER	SER	(chain D and (resid 12 through 160 or resid 174 through 460))	D	D	174 - 460	177 - 463
5	1	LYS	LYS	LYS	LYS	(chain E and (resid 12 through 160 or resid 174 through 460))	E	E	12 - 160	15 - 163
5	2	CYS	CYS	SER	SER	(chain E and (resid 12 through 160 or resid 174 through 460))	E	E	174 - 460	177 - 463
6	1	LYS	LYS	LYS	LYS	(chain F and (resid 12 through 160 or resid 174 through 460))	F	F	12 - 160	15 - 163
6	2	CYS	CYS	SER	SER	(chain F and (resid 12 through 160 or resid 174 through 460))	F	F	174 - 460	177 - 463
7	1	LYS	LYS	LYS	LYS	(chain G and (resid 12 through 160 or resid 174 through 460))	G	G	12 - 160	15 - 163
7	2	CYS	CYS	SER	SER	(chain G and (resid 12 through 160 or resid 174 through 460))	G	G	174 - 460	177 - 463
8	1	LYS	LYS	LYS	LYS	(chain H and (resid 12 through 160 or resid 174 through 460))	H	H	12 - 160	15 - 163
8	2	CYS	CYS	SER	SER	(chain H and (resid 12 through 160 or resid 174 through 460))	H	H	174 - 460	177 - 463
9	1	LYS	LYS	LYS	LYS	(chain I and (resid 12 through 160 or resid 174 through 460))	I	I	12 - 160	15 - 163
9	2	CYS	CYS	SER	SER	(chain I and (resid 12 through 160 or resid 174 through 460))	I	I	174 - 460	177 - 463
10	1	LYS	LYS	LYS	LYS	(chain J and (resid 12 through 160 or resid 174 through 460))	J	J	12 - 160	15 - 163
10	2	CYS	CYS	SER	SER	(chain J and (resid 12 through 160 or resid 174 through 460))	J	J	174 - 460	177 - 463

#1: Protein	Major capsid protein L1 Mass: 55098.113 Da / Num. of mol.: 10 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human papillomavirus type 6 / Gene: L1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9W9C6

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.4 Å³/Da / Density % sol: 48.86 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / Details: 0.1M Succinic acid pH 5.5, 9.5% PEG 3350

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Data collection

Diffraction	Mean temperature: 123.15 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.9792 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 28, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9792 Å / Relative weight: 1
Reflection	Resolution: 3.36→50 Å / Num. obs: 70378 / % possible obs: 95.2 % / Redundancy: 2.8 % / R_sym value: 0.108 / Net I/σ(I): 10.8
Reflection shell	Resolution: 3.36→3.42 Å / Num. unique obs: 6595 / R_sym value: 0.842

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Processing

Software

Name	Version	Classification
HKL-2000		data scaling
PHENIX	1.15.2_3472	refinement
PDB_EXTRACT	3.27	data extraction
HKL-2000		data reduction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2R5K

2r5k

Resolution: 3.366→33.877 Å / SU ML: 0.5 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 32.06 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2939	3590	5.11 %
R_work	0.256	66631	-
obs	0.2579	70221	94.4 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 270.41 Å² / B_iso mean: 105.4797 Å² / B_iso min: 41.9 Å²

Refinement step

Cycle: final / Resolution: 3.366→33.877 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	32368	0	0	0	32368
Num. residues	-	-	-	-	4130

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	2	B	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	3	C	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	4	D	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	5	E	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	6	F	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	7	G	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	8	H	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	9	I	19471	X-RAY DIFFRACTION	8.936	TORSIONAL
1	10	J	19471	X-RAY DIFFRACTION	8.936	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
3.3665-3.4107	0.347	120	0.3558	2109	78
3.4107-3.4574	0.3847	138	0.347	2572	96
3.4574-3.5068	0.3978	140	0.3452	2583	97
3.5068-3.5591	0.3624	157	0.3291	2635	97
3.5591-3.6146	0.3694	149	0.3225	2591	97
3.6146-3.6738	0.4024	133	0.3122	2632	96
3.6738-3.7371	0.3381	138	0.3115	2551	96
3.7371-3.8049	0.315	146	0.29	2656	97
3.8049-3.878	0.3422	130	0.2991	2571	96
3.878-3.9571	0.341	141	0.2922	2633	96
3.9571-4.043	0.3011	139	0.2897	2566	96
4.043-4.1369	0.3146	146	0.2673	2572	96
4.1369-4.2401	0.2835	146	0.2655	2599	96
4.2401-4.3545	0.2941	131	0.2485	2565	96
4.3545-4.4824	0.2953	132	0.2478	2604	95
4.4824-4.6267	0.3046	124	0.2493	2557	94
4.6267-4.7917	0.2538	141	0.2161	2575	95
4.7917-4.9829	0.2515	139	0.2082	2563	95
4.9829-5.209	0.3042	147	0.2288	2534	94
5.209-5.4825	0.242	148	0.2181	2543	94
5.4825-5.8244	0.3213	146	0.2457	2561	94
5.8244-6.2715	0.3283	135	0.2683	2572	94
6.2715-6.8978	0.3046	127	0.2675	2515	93
6.8978-7.8849	0.2742	129	0.2426	2580	93
7.8849-9.893	0.2518	144	0.2161	2590	94
9.893-33.877	0.2352	124	0.2313	2602	91

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	4.785	2.5423	-1.0876	2.617	-0.1176	1.6187	0.0876	-0.1889	0.0404	0.3148	0.0837	-0.0932	-0.2499	0.0588	-0.1488	0.6268	0.0726	-0.281	0.4159	-0.0232	0.5461	-68.6777	-51.1278	68.5811
2	2.5105	0.3824	-1.8551	2.0603	-0.5659	3.9287	-0.0537	0.0772	-0.1057	0.048	0.1415	-0.0342	0.3967	0.2434	-0.124	0.5038	0.0331	-0.3077	0.3765	-0.008	0.6185	-60.9519	-54.7005	51.3675
3	1.1526	-0.1752	-1.1561	0.0091	0.7594	3.8774	-0.2548	0.2318	-0.1245	-0.0638	0.3047	-0.0057	0.5231	0.1723	-0.034	0.6432	-0.028	-0.1048	0.4372	-0.0152	0.7609	-59.278	-56.4622	43.003
4	2.4349	0.4776	-0.7337	-0.0165	0.4062	2.0329	-0.0586	-0.1603	-0.4318	0.1152	-0.0634	-0.3403	-0.1203	-0.005	0.1224	0.6616	0.012	-0.0533	0.4237	0.0919	0.7405	-67.9634	-49.6078	64.3363
5	0.57	0.3127	-1.4839	4.3632	0.4995	3.7641	-0.4614	-0.7313	-0.2473	0.6673	0.3442	0.5867	-0.6375	0.5794	0.0569	0.6714	0.0113	-0.069	0.7419	0.164	0.6728	-75.2193	-48.6626	72.7504
6	3.4981	0.1254	-0.3826	1.8566	-0.7059	1.2947	0.0664	0.2192	-0.0559	-0.1207	0.1043	0.4798	0.7543	-0.9984	-0.0373	0.9104	-0.3931	-0.1024	0.9989	-0.0481	0.6041	-84.2935	-72.3618	35.1938
7	1.3272	-0.5975	-1.0017	1.1292	-0.1726	1.9098	-0.3132	0.7177	-0.0051	-0.2855	0.1241	-0.0514	0.302	-0.6457	0.2062	0.6495	-0.1782	-0.1647	0.8151	-0.1111	0.5489	-67.3496	-53.4225	18.3323
8	5.3984	1.6551	-0.0532	1.6361	0.8152	2.168	-0.2999	0.5235	0.8288	-0.1895	0.1467	0.2392	0.3489	-0.5364	0.1376	0.7806	-0.2225	-0.2438	0.7012	0.0064	0.6795	-71.1526	-64.9431	36.3628
9	4.3069	2.8219	0.6615	2.1389	0.6824	1.2355	-1.0632	1.0418	-1.0801	-0.2836	0.3079	0.1102	1.7124	-0.6695	-0.0519	1.1405	-0.5597	0.0898	1.1083	-0.3168	1.1141	-91.2128	-74.7187	34.1299
10	5.1834	2.0578	0.0073	1.6144	0.6664	3.3321	-0.3904	-0.4498	0.7406	0.8152	-0.1248	0.4071	-0.0354	0.1464	0.3702	0.7547	0.0897	-0.09	0.3949	0.1376	0.8022	-16.1935	-78.5155	70.8498
11	3.9175	4.2701	-3.6469	4.7086	-3.393	6.0983	-0.1208	-0.5563	0.7865	0.3122	0.3033	-0.2779	0.5625	0.3827	-0.2367	1.1512	0.361	-0.1095	0.6983	-0.1143	0.8753	3.3395	-83.1109	70.7246
12	1.9222	1.9349	0.8353	2.829	0.5354	1.533	0.5418	-0.7387	-0.0105	0.8198	-0.4155	0.1013	0.3495	0.5102	-0.0184	0.7423	0.153	-0.1889	0.4557	0.1771	0.9468	-5.6138	-78.0952	67.2979
13	5.7418	2.9	-1.7003	1.7421	-0.6354	4.0802	-0.7207	1.1666	-1.3887	0.078	0.2644	-0.7653	0.6957	0.8031	0.2984	0.8086	0.2452	-0.1078	1.1033	-0.0366	1.4187	12.7737	-82.1383	45.256
14	4.6552	0.2347	-0.9646	1.719	-1.3366	3.2313	-0.4605	0.2249	-0.5594	-0.229	-0.022	-0.4972	0.8371	0.5682	0.4422	0.7954	0.2253	0.0361	0.7538	0.0553	0.9121	4.4989	-82.0766	50.3701
15	6.0135	-0.3719	-2.3005	4.8673	0.0274	2.3305	-0.6146	0.8687	-1.6492	-0.4657	-0.676	0.0518	0.0762	0.2575	1.1373	0.6987	0.0558	-0.0691	1.1252	-0.102	0.808	22.3014	-80.8277	25.8081
16	0.7456	0.679	-1.1155	0.9399	-0.2652	2.1537	-0.0235	-0.0324	-0.1955	0.3548	-0.1929	-0.1596	0.381	0.8505	0.0653	0.7335	0.162	-0.2179	0.8462	0.0656	1.0477	3.7237	-72.3764	65.0543
17	4.3137	2.8544	-0.5905	2.5142	0.8982	1.9486	-0.1587	-0.5104	-0.9929	0.5464	-0.521	-0.3833	0.6639	0.1714	0.4953	1.0788	-0.0381	-0.0018	0.364	0.0443	1.1045	-15.1009	-84.2193	72.4216
18	4.4199	-3.6373	-1.5109	2.6042	0.8676	3.1775	0.3678	0.4429	0.0552	-0.3193	-0.3313	0.0891	0.0535	0.2399	-0.2515	0.4472	-0.1658	-0.2235	0.6435	-0.0982	0.5129	-8.0549	-44.3621	16.4188
19	7.2755	-1.3711	-0.3966	4.8948	0.4266	3.3424	0.3017	1.0008	-0.5234	-1.0971	-0.3139	1.2699	0.1053	-1.1735	-0.054	0.6171	-0.03	-0.2653	0.7741	-0.1279	0.7968	-25.6558	-40.2613	14.7197
20	1.0006	0.0116	0.7676	1.5859	-0.1437	1.5515	0.0956	0.5358	0.2527	-0.0742	-0.0555	-0.3103	-0.2351	0.617	-0.0757	0.6948	-0.2018	0.0455	0.9013	-0.0867	0.7463	11.2381	-39.0075	29.3399
21	4.5838	-0.649	-0.719	1.3609	0.0986	0.9146	0.1212	1.1088	-0.0775	-0.4748	-0.0754	0.2874	-0.0631	-0.0603	0.0112	0.6291	-0.0655	-0.1682	1.0773	-0.0551	0.6433	-11.9456	-45.0219	17.2967
22	6.6287	-0.3153	0.2554	1.2705	0.0926	2.0078	-0.9775	-0.0496	0.3238	-0.0889	0.3028	0.1982	0.9603	0.0068	0.4572	0.7986	-0.0449	0.0003	0.3231	-0.2006	0.689	-14.5023	-80.8661	30.7749
23	7.8559	-0.7942	0.0335	1.8528	-2.3481	2.7362	0.0071	-0.6454	-0.1714	0.0272	0.589	0.3169	0.1323	-0.2042	-0.3822	0.9285	-0.2614	-0.002	0.6219	-0.3948	1.0017	-20.7461	-83.4591	30.2722
24	2.3685	1.1974	0.4513	2.216	-1.437	3.0898	-0.1636	0.476	-0.2553	-0.4094	-0.3175	-0.5991	0.4877	0.6657	0.4738	0.8003	0.1691	0.0639	0.8988	-0.2544	0.9767	10.6193	-67.5065	27.0049
25	8.673	1.0261	-4.6403	5.5038	-0.4014	4.2322	-0.059	1.6083	0.4362	-2.2948	1.0258	-0.7769	-0.1375	0.3492	-0.7933	0.8381	-0.352	0.096	1.6347	-0.5358	1.0556	4.2086	-64.4194	4.3244
26	1.6576	1.5537	-1.094	2.1351	-0.1612	0.9957	-0.3395	0.3076	-0.1931	-0.1808	0.0809	-0.2635	0.2316	0.3004	0.1992	0.627	0.0091	-0.0597	0.8732	-0.1507	0.8836	1.2949	-70.1057	29.0006
27	5.2217	0.0776	0.686	1.4628	-2.3803	4.0244	0.3852	0.5163	-0.4819	-0.0949	-0.1713	0.7651	1.0437	0.2345	-0.2242	0.8465	-0.1295	0.0131	0.5991	-0.4275	1.307	-25.0497	-81.7913	28.1326
28	8.1557	-0.1739	0.7777	1.1243	-0.4404	0.132	-0.0816	0.501	0.2345	-0.0336	0.2703	0.2693	0.0315	-0.9364	-0.1979	0.7961	0.0135	-0.1962	1.6003	0.1249	0.6493	-88.1973	-42.9481	6.0705
29	3.3683	-1.5233	1.0466	2.2186	0.8771	1.5372	0.1815	1.116	-1.0353	-0.3963	-0.0662	0.0078	-0.1017	-0.6556	-0.1122	1.0192	0.1337	-0.2012	1.2927	0.2003	0.0489	-83.3593	-38.6539	9.1241
30	2.9055	0.4674	-0.0429	0.5658	0.1009	1.8122	0.0218	0.9989	0.3416	-0.3348	0.2451	0.2594	-0.5552	-0.8122	-0.2099	1.0434	0.1523	-0.0833	1.3597	0.2648	0.6932	-79.2886	-32.8331	10.5881
31	3.2861	-0.2721	0.669	0.3713	0.2303	0.5424	0.2563	1.6822	0.3247	-0.2889	0.7338	0.4026	1.1742	-2.1447	-0.5808	1.0659	-0.3587	-0.257	2.5456	0.1164	1.0298	-98.8148	-47.596	8.1673
32	2.7825	-1.3572	1.4561	3.4159	0.456	3.3723	0.6348	0.3342	0.3822	0.794	-0.6178	-0.0276	-0.4437	0.8147	-0.2536	1.1183	-0.7133	0.2135	0.3425	-0.1872	0.9751	2.1432	-20.784	46.1168
33	2.5741	0.1159	0.0466	4.082	-0.2787	3.6322	-0.0598	0.983	0.8317	-0.1796	-0.3276	0.6514	-1.1593	-0.0576	0.2244	1.0943	-0.3679	-0.051	0.5722	-0.1958	1.2472	-13.6568	-12.6419	49.6194
34	0.5068	-0.8115	-1.0852	2.3261	0.7256	1.6556	0.0837	-0.2924	0.9261	-0.1456	0.2572	-0.5904	-0.3268	1.0096	-0.1854	0.8848	-0.5686	-0.0134	1.5739	-0.0393	1.1699	20.3952	-37.6485	50.521
35	2.8756	-1.4271	-0.3153	2.0922	-0.6293	0.8642	-0.0175	-0.6578	0.6118	0.7246	0.1109	-0.7838	-0.3661	-0.0227	0.0759	0.8652	-0.4229	-0.1529	1.4584	-0.2237	1.0738	20.7797	-28.5452	60.0713
36	4.0476	-3.4727	-2.1205	5.6909	0.8665	1.4408	0.4971	-0.7017	0.6326	0.5902	-0.1791	-0.8624	-0.5272	0.3923	-0.3593	1.0358	-0.4071	-0.0204	1.069	-0.0689	0.7263	4.7235	-34.511	57.4839
37	2.4823	-1.1237	0.5227	5.0712	-0.7043	6.6597	0.4037	-1.6321	0.4502	-0.4646	-0.2096	-0.1306	-0.3315	0.9981	0.2321	0.9758	-0.5364	-0.454	1.6445	0.3449	1.5596	36.0015	-49.6888	65.8586
38	1.4396	-1.2273	-0.2464	1.0891	0.5165	2.2884	0.5583	-0.3022	0.1833	0.2202	-0.3378	-0.2196	-0.7838	0.8748	-0.0228	0.8111	-0.509	-0.0446	0.8427	-0.0468	1.0958	4.5312	-31.8709	43.7988
39	3.0217	0.6208	-0.5744	-0.031	0.0394	2.1219	-0.0944	0.3741	-1.1666	0.3872	-0.1977	0.8797	-0.4086	1.1336	-0.0164	1.0415	-0.6078	0.2331	0.8936	-0.1816	1.1444	4.5341	-24.8205	38.6677
40	5.0622	-0.4388	-1.6808	3.9903	0.2284	4.9254	-0.2425	0.0578	-0.3887	0.682	0.2404	-0.4558	-1.4251	1.2276	-0.1326	1.8731	-0.7327	0.5921	0.7559	-0.6923	1.4758	-7.9275	-7.1076	63.2061
41	9.815	-0.5144	3.2915	1.3092	1.693	3.6082	0.4886	0.3264	-0.0195	-0.3586	-0.525	-0.0376	0.1156	-0.5052	0.1146	0.9902	-0.4045	0.2399	0.9072	-0.0606	0.8956	-12.4387	-20.4472	41.2748
42	2.3494	0.3296	-2.4004	0.8334	-0.9354	3.9006	-0.1234	-0.3891	0.6681	0.3213	0.4345	0.0456	-0.899	-0.2221	-0.606	1.8583	0.2505	0.294	0.3207	0.0222	1.0709	-73.9405	-10.3778	60.9658
43	0.6655	1.1515	-0.3065	2.307	-1.7173	5.0368	1.1315	0.3652	1.2971	-0.1746	0.3539	0.3402	-3.0188	-1.3575	0.8569	1.4215	0.1308	-0.168	-0.196	-0.2557	0.7776	-75.5221	-14.6753	58.6558
44	5.254	-1.362	-3.7873	2.154	1.0839	5.8306	-0.2693	-0.7995	-0.0366	0.4897	0.1672	-0.3439	0.157	0.9384	0.0023	1.0041	-0.1589	-0.1526	0.4794	0.0254	0.978	-51.3202	-30.0735	54.4604
45	3.4001	-0.5036	0.0686	3.3214	-0.0901	2.4156	0.1448	-0.6935	0.4517	0.7323	0.4282	0.0289	-0.7371	0.4538	-0.5004	0.8686	-0.032	0.0227	0.5264	-0.0902	0.5998	-57.2833	-29.4633	57.6606
46	0.9762	-0.3988	-0.4323	2.7865	0.6455	2.631	0.374	0.3037	0.5493	-0.0001	-0.1211	0.4607	-0.9669	-0.5751	-0.3503	0.9265	0.0101	0.0769	0.44	0.075	0.7166	-66.7411	-28.4892	53.2744
47	1.2133	-1.1446	-1.2662	1.9056	0.2463	0.9359	0.169	-0.229	0.0984	0.139	-0.0587	-0.2185	-0.929	0.0567	-0.4736	1.6805	-0.0712	0.3994	0.5322	-0.0061	1.2669	-68.7869	-10.9353	55.0542
48	2.4906	-0.2512	-1.4353	1.456	0.6816	4.0265	-0.4444	-0.8955	1.1302	0.7321	0.5872	0.1249	-0.8832	-0.7874	0.0311	1.757	0.4067	0.1615	0.7813	-0.1185	1.0047	-82.0142	-8.3353	62.2187
49	1.9161	-0.6476	-1.9433	0.3479	1.0172	2.4883	-0.1747	0.9246	0.738	-1.0623	-0.3468	0.9009	-0.6756	-0.6522	-0.4574	2.4918	0.7874	0.4335	1.2297	0.9909	0.5461	-87.9422	-6.2917	22.0502
50	1.1804	0.0284	0.3036	0.7473	1.0345	2.9952	-0.3979	0.3481	0.5641	0.0739	0.4495	-0.0739	-1.567	-0.3996	-0.01	2.1471	0.3401	0.2662	0.31	0.4397	1.0724	-67.9151	-11.0337	32.9561
51	7.7304	-1.7211	-0.5216	1.0154	-0.6015	0.7913	0.5353	0.3638	1.2479	-0.131	0.2449	0.6162	-0.7404	-0.7453	-0.6139	1.1444	0.3561	0.1002	0.9421	0.334	1.0665	-77.0141	-23.5589	29.5933
52	3.6896	-0.6033	-0.4196	1.7535	0.4756	1.5136	1.0605	0.7401	0.3186	-0.2559	-0.4714	0.2362	-2.2234	-0.325	-0.346	2.0014	0.7752	0.2759	1.3106	0.8111	0.8769	-80.3644	-13.8567	18.9107
53	2.3588	-1.176	-1.9186	1.458	1.2905	1.5643	0.3801	0.628	1.1833	-0.6463	0.0058	-0.0965	-0.8971	-0.2648	-0.0571	1.4554	0.7022	-0.2457	1.5413	0.582	1.3851	-97.8556	-2.4993	27.1192
54	2.0389	-0.0393	-1.7452	1.6677	-0.8074	2.1731	0.1317	-0.5624	-0.2973	0.6402	-0.3491	-0.4057	-0.3264	0.8422	0.1144	0.8555	-0.3747	-0.2613	1.1702	-0.0756	0.8762	11.3145	-52.3804	75.155
55	1.9509	0.0832	-1.0943	0.5355	0.4701	1.7656	0.1174	-0.5094	0.2335	0.4528	0.0473	-0.1455	-0.3335	0.96	-0.1725	0.8759	-0.2377	-0.2015	1.0247	-0.0604	0.8103	6.4354	-49.6416	72.779

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 12 through 77 )	A	12 - 77
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 78 through 170 )	A	78 - 170
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 171 through 298 )	A	171 - 298
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 299 through 390 )	A	299 - 390
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 391 through 460 )	A	391 - 460
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 12 through 99 )	B	12 - 99
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 100 through 301 )	B	100 - 301
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 302 through 370 )	B	302 - 370
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 371 through 460 )	B	371 - 460
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 12 through 38 )	C	12 - 38
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 39 through 77 )	C	39 - 77
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 78 through 115 )	C	78 - 115
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 116 through 170 )	C	116 - 170
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 171 through 251 )	C	171 - 251
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 252 through 279 )	C	252 - 279
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 280 through 370 )	C	280 - 370
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 371 through 460 )	C	371 - 460
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 12 through 60 )	D	12 - 60
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 61 through 99 )	D	61 - 99
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 100 through 301 )	D	100 - 301
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 302 through 460 )	D	302 - 460
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 12 through 48 )	E	12 - 48
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 49 through 99 )	E	49 - 99
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 100 through 161 )	E	100 - 161
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 162 through 183 )	E	162 - 183
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 184 through 370 )	E	184 - 370
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 371 through 460 )	E	371 - 460
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 12 through 60 )	F	12 - 60
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 61 through 135 )	F	61 - 135
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 136 through 390 )	F	136 - 390
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 391 through 460 )	F	391 - 460
32	X-RAY DIFFRACTION	32	chain 'G' and (resid 12 through 60 )	G	12 - 60
33	X-RAY DIFFRACTION	33	chain 'G' and (resid 61 through 99 )	G	61 - 99
34	X-RAY DIFFRACTION	34	chain 'G' and (resid 100 through 161 )	G	100 - 161
35	X-RAY DIFFRACTION	35	chain 'G' and (resid 162 through 222 )	G	162 - 222
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 223 through 251 )	G	223 - 251
37	X-RAY DIFFRACTION	37	chain 'G' and (resid 252 through 279 )	G	252 - 279
38	X-RAY DIFFRACTION	38	chain 'G' and (resid 280 through 344 )	G	280 - 344
39	X-RAY DIFFRACTION	39	chain 'G' and (resid 345 through 370 )	G	345 - 370
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 371 through 431 )	G	371 - 431
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 432 through 462 )	G	432 - 462
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 12 through 77 )	H	12 - 77
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 78 through 115 )	H	78 - 115
44	X-RAY DIFFRACTION	44	chain 'H' and (resid 116 through 170 )	H	116 - 170
45	X-RAY DIFFRACTION	45	chain 'H' and (resid 171 through 264 )	H	171 - 264
46	X-RAY DIFFRACTION	46	chain 'H' and (resid 265 through 324 )	H	265 - 324
47	X-RAY DIFFRACTION	47	chain 'H' and (resid 325 through 389 )	H	325 - 389
48	X-RAY DIFFRACTION	48	chain 'H' and (resid 390 through 460 )	H	390 - 460
49	X-RAY DIFFRACTION	49	chain 'I' and (resid 12 through 76 )	I	12 - 76
50	X-RAY DIFFRACTION	50	chain 'I' and (resid 77 through 279 )	I	77 - 279
51	X-RAY DIFFRACTION	51	chain 'I' and (resid 280 through 301 )	I	280 - 301
52	X-RAY DIFFRACTION	52	chain 'I' and (resid 302 through 370 )	I	302 - 370
53	X-RAY DIFFRACTION	53	chain 'I' and (resid 371 through 460 )	I	371 - 460
54	X-RAY DIFFRACTION	54	chain 'J' and (resid 12 through 222 )	J	12 - 222
55	X-RAY DIFFRACTION	55	chain 'J' and (resid 223 through 460 )	J	223 - 460

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