PDB-4plk: Hepatitis E Virus E2s domain (Genotype I) in complex with a neutr...

ID or keywords:

Entry

Database: PDB / ID: 4plk

Title

Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody 8G12

Components

8G12 heavy chain
8G12 light chain
Capsid protein

Keywords

VIRAL PROTEIN/IMMUNE SYSTEM / Complex / neutralizing antibody / VIRAL PROTEIN-IMMUNE SYSTEM complex

Function / homology

Function and homology information

viral capsid / host cell surface / host cell cytoplasm / structural molecule activity / RNA binding / cytoplasm
Similarity search - Function

Biological species

Hepatitis E virus

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 4 Å

Authors

Tang, X.H. / Li, S.W. / Sivaraman, J.

Citation

Journal: Cell Res. / Year: 2015
Title: Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Authors: Gu, Y. / Tang, X. / Zhang, X. / Song, C. / Zheng, M. / Wang, K. / Zhang, J. / Ng, M.H. / Hew, C.L. / Li, S. / Xia, N. / Sivaraman, J.

History

Deposition	May 18, 2014	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Apr 8, 2015	Provider: repository / Type: Initial release
Revision 1.1	May 13, 2015	Group: Database references

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4plk.cif.gz	890.9 KB	Display	PDBx/mmCIF format
PDB format	pdb4plk.ent.gz	779.8 KB	Display	PDB format
PDBx/mmJSON format	4plk.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4plk_validation.pdf.gz	516.1 KB	Display	wwPDB validaton report
Full document	4plk_full_validation.pdf.gz	581.7 KB	Display
Data in XML	4plk_validation.xml.gz	83.8 KB	Display
Data in CIF	4plk_validation.cif.gz	112.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/pl/4plk ftp://data.pdbj.org/pub/pdb/validation_reports/pl/4plk	HTTPS FTP

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Related structure data

Related structure data	4pljC C: citing same article (ref.)
Similar structure data	4plj-d 3eoa-d 7m7w-1 4ygc-d 6fla-d 7m7w-2 6zfo-d 30709 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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#170 - Feb 2014 Broadly Neutralizing Antibodies similarity (1) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1)

Deposited unit

A: Capsid protein

B: Capsid protein

L: 8G12 light chain

H: 8G12 heavy chain

C: 8G12 light chain

D: 8G12 heavy chain

E: Capsid protein

F: Capsid protein

K: 8G12 light chain

J: 8G12 heavy chain

G: 8G12 light chain

I: 8G12 heavy chain

255 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Capsid protein

B: Capsid protein

L: 8G12 light chain

H: 8G12 heavy chain

C: 8G12 light chain

D: 8G12 heavy chain

defined by author
128 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: Capsid protein

F: Capsid protein

K: 8G12 light chain

J: 8G12 heavy chain

G: 8G12 light chain

I: 8G12 heavy chain

defined by author
128 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	54.196, 191.993, 192.584
Angle α, β, γ (deg.)	90.00, 90.03, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Capsid protein Mass: 15607.430 Da / Num. of mol.: 4 / Fragment: E2s domain, UNP residues 8-152 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hepatitis E virus / Production host: Escherichia coli (E. coli) / References: UniProt: L0L7P5
#2: Antibody	8G12 light chain Mass: 23415.779 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#3: Antibody	8G12 heavy chain Mass: 24788.795 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.98 Å³/Da / Density % sol: 69.11 %
Crystal grow	Temperature: 294 K / Method: vapor diffusion / Details: 12% PEG 5000, 0.05M NaH2PO4

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 10, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 4→33.992 Å / Num. obs: 31821 / % possible obs: 90.5 % / Redundancy: 3.2 % / Net I/σ(I): 5.8

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Processing

Software

Name	Version	Classification
PHENIX	(phenix.refine: 1.9_1692)	refinement
HKL-2000		data processing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 4→33.992 Å / SU ML: 0.55 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 32.14 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2961	1879	6.2 %	Random
R_work	0.264	-	-	-
obs	0.2662	30302	91.18 %	-

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 4→33.992 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	17368	0	0	0	17368

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	17803
X-RAY DIFFRACTION	f_angle_d	1.58	24286
X-RAY DIFFRACTION	f_dihedral_angle_d	14.949	6268
X-RAY DIFFRACTION	f_chiral_restr	0.065	2748
X-RAY DIFFRACTION	f_plane_restr	0.006	3086

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
4-4.108	0.3598	128	0.3447	1959	X-RAY DIFFRACTION	83
4.108-4.2287	0.3309	135	0.3248	1959	X-RAY DIFFRACTION	82
4.2287-4.3649	0.3465	134	0.3075	1991	X-RAY DIFFRACTION	84
4.3649-4.5205	0.2812	151	0.2718	2077	X-RAY DIFFRACTION	85
4.5205-4.7011	0.3228	140	0.2865	2018	X-RAY DIFFRACTION	87
4.7011-4.9144	0.2872	141	0.2785	2137	X-RAY DIFFRACTION	88
4.9144-5.1727	0.3125	143	0.2672	2138	X-RAY DIFFRACTION	91
5.1727-5.4955	0.3269	155	0.2522	2251	X-RAY DIFFRACTION	93
5.4955-5.9178	0.3453	141	0.272	2341	X-RAY DIFFRACTION	97
5.9178-6.5096	0.3409	145	0.2794	2362	X-RAY DIFFRACTION	98
6.5096-7.4429	0.2418	163	0.2769	2367	X-RAY DIFFRACTION	99
7.4429-9.3449	0.2695	159	0.2434	2403	X-RAY DIFFRACTION	99
9.3449-33.9932	0.2501	144	0.2009	2420	X-RAY DIFFRACTION	98

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	3.6388	-1.1492	0.4673	2.3615	-2.2689	3.9346	-0.7501	-0.2733	1.8063	-0.2546	-0.6929	-0.3401	-1.0944	-0.1453	0.15	1.2846	-0.0635	0.3885	0.4658	-0.565	2.8664	13.3927	-3.8708	91.4268
2	4.7939	1.1439	2.4426	2.3887	0.7254	4.4129	0.8541	-1.2628	0.2042	-0.5145	0.316	0.5093	0.709	-0.8881	0.2307	0.2735	-0.0915	0.0972	0.8694	0.1023	1.7307	7.5585	-23.0086	89.6853
3	2.8859	0.04	0.5296	3.6505	-1.5495	0.865	0.9325	-0.3384	0.3891	-0.2921	0.1792	1.3462	0.4849	0.0095	-0.0828	0.5239	-0.3048	-0.0965	1.1639	0.4045	1.3827	3.5113	-24.2786	83.2285
4	2.6556	2.2856	0.5269	2.2933	-0.3722	2.1785	0.2248	-1.8031	1.2762	0.7263	-0.5735	1.1742	-1.0501	-0.2127	-0.193	1.5509	-0.084	0.3758	1.0609	0.1669	1.589	11.0717	-9.7548	96.5659
5	2.3873	-1.634	0.4365	3.5549	-1.2818	2.4654	-0.0279	-0.116	0.7394	0.9953	0.5822	1.1129	0.3248	-0.7775	-0.3897	1.4232	0.3613	0.1835	0.2483	0.1513	2.4492	2.0848	-6.9805	88.6657
6	4.9297	0.7508	0.5511	5.6239	-0.6073	3.3441	-0.5814	0.0581	1.7043	-1.0177	-0.229	1.5048	-0.3377	-0.6096	-0.0551	1.4407	0.4941	0.111	1.6506	0.4912	1.3964	5.6195	-7.3718	77.5897
7	5.0806	0.3055	0.3247	3.1068	-1.1048	2.6079	0.0306	-0.2468	0.51	-0.9611	0.3768	0.8698	1.135	-0.3258	-0.3409	0.7297	0.0612	0.2806	1.1137	0.4294	1.1443	10.5863	-20.5654	84.1921
8	4.8009	-0.0196	0.7032	2.179	-1.0009	3.6418	0.4774	0.5991	0.686	-0.6862	-0.1689	0.4043	0.7757	0.1564	-0.3594	-0.2909	-1.0094	-0.0921	1.5398	0.6557	0.9968	16.9562	-27.5292	76.3281
9	1.6558	0.4299	0.5548	2.352	-0.0697	2.8865	0.6716	0.7148	0.5139	-0.9332	0.68	1.5637	0.9158	1.8232	0.3548	0.249	-0.678	0.2005	0.0324	0.9751	1.6138	5.9002	-23.1993	83.7432
10	0.7026	0.9024	-1.2881	1.0145	-1.7935	6.6211	0.0278	-0.227	0.9783	0.2936	0.2956	1.283	-1.3445	0.5376	-0.1268	0.7815	0.06	0.1	0.8032	0.2456	1.5441	14.8066	-13.7917	84.336
11	2.9229	1.0007	0.2158	0.9979	-0.5755	0.6744	0.178	-1.4378	1.1472	0.82	-0.299	0.254	-0.7921	-0.6281	0.2472	1.2313	-0.845	-0.1375	2.9395	-0.6291	0.8546	26.9585	-15.7052	102.6287
12	2.9144	-1.7509	-1.2707	1.1358	0.9101	0.7101	0.6222	-0.5707	-0.3297	-0.1616	-1.7677	-0.9842	0.6304	0.2469	-0.0342	-1.6095	0.2242	1.0614	1.9945	0.2467	0.5648	35.2678	-22.9223	81.8112
13	6.827	-1.1473	1.4886	2.3954	-1.2734	2.5546	0.1294	-2.0943	0.9277	0.3726	-0.0698	-0.9703	-1.3922	1.4012	0.1338	0.8935	-0.3161	0.0053	1.906	0.3145	0.8968	34.7353	-13.855	92.0083
14	0.6342	0.4152	0.3891	5.7353	-2.472	3.5263	-0.2839	-0.3105	-0.8162	0.8415	0.4854	0.299	0.5686	-0.5376	-0.1038	1.2467	-0.3286	0.1479	1.4837	0.0333	1.007	34.0763	-22.3041	103.8585
15	1.1582	1.5423	0.0762	2.4038	0.1344	0.1226	0.357	-0.0114	-0.6201	-0.0441	-0.3303	-1.0405	1.2098	0.3103	0.3153	0.7973	-0.0493	-0.0846	1.7116	0.4292	1.0851	34.4833	-28.8621	92.2887
16	6.1484	1.2075	1.0801	0.8328	-0.0883	2.0423	0.1401	1.3666	0.0086	0.6806	-0.7289	-0.0261	0.4658	0.6649	0.6084	0.4409	-0.1702	0.2764	1.6137	0.1006	1.1156	24.5205	-22.4833	78.3521
17	1.8197	-1.7819	-1.2305	1.7341	0.7973	2.4642	1.1754	-1.467	0.8533	-0.2675	0.1858	-1.0219	-0.4356	1.3796	0.4927	-1.874	1.0239	-1.9314	1.5591	1.6405	-0.8418	35.3539	-24.7032	89.3306
18	1.4284	0.6668	-0.8321	2.1939	0.074	0.6913	0.1862	-0.8382	-0.2472	-0.2344	-0.2161	-0.4732	0.1542	0.2598	-0.2491	0.4987	-0.0102	0.0511	1.405	0.203	0.8233	29.1295	-21.8391	83.1578
19	1.6882	-1.724	2.6794	4.8428	-4.2147	5.4129	1.1135	0.575	0.094	-1.2916	-0.9179	0.4424	0.9282	1.2043	0.1494	1.4097	0.3902	0.4289	1.3021	0.1267	1.3611	14.282	-59.6474	93.0345
20	0.7205	1.3818	-0.1442	4.6038	-0.6515	0.5439	-0.4045	0.5118	-0.0672	-1.5659	-0.4408	-0.1383	0.5391	0.8161	-0.1432	0.9403	0.9063	0.0173	-0.1122	1.8089	0.3522	18.4822	-48.3862	90.8363
21	1.8897	2.3044	-2.1185	3.1544	-3.3236	4.0625	-0.5252	-0.2646	-0.9532	1.1388	0.1501	0.126	1.1069	0.4457	0.9284	0.9232	0.0711	0.3082	1.0055	0.8426	2.4911	11.0757	-54.2985	105.2847
22	0.2357	0.2219	-1.2334	2.4826	-0.7543	8.8698	-0.0194	-0.6855	-0.3133	0.9203	0.1725	0.4885	-1.1751	1.3293	0.3644	1.2147	0.9953	0.6137	1.8151	1.5261	2.0263	22.9995	-52.8297	100.1658
23	1.7611	0.768	0.3668	3.395	-1.7242	2.3961	0.7258	-1.9399	-1.6457	-0.0566	0.169	-1.2405	1.1615	0.9504	0.2895	2.1435	0.8408	0.5896	1.394	1.5336	1.14	15.1663	-62.1211	103.5892
24	1.9238	-1.6196	0.0556	5.0356	0.6804	3.1315	-0.8673	-0.7088	0.0479	-1.181	1.0623	-1.152	0.9235	0.8045	0.4172	0.4463	0.0916	0.1579	0.9258	0.4681	1.2666	11.0522	-43.9285	94.1911
25	0.8131	0.9549	0.687	3.2425	0.8093	0.4966	-1.003	-0.5658	-0.6879	-0.2789	-0.4652	-0.4256	2.1593	0.5626	0.2603	2.4512	0.3268	0.5241	1.1257	0.7681	2.297	10.2737	-73.2649	102.2175
26	1.1471	-0.0988	-0.9234	1.1462	1.1942	1.8051	-1.0114	0.5585	0.1754	1.1993	-0.4728	-0.4581	-0.167	0.6448	1.1325	1.1895	-0.0552	0.024	1.3856	0.3902	1.584	-16.9266	-77.9051	115.8672
27	2.1968	-0.3965	-0.9653	0.7465	0.4805	2.9928	-0.4631	0.3259	-1.9989	-0.266	-0.3124	-1.5964	1.1168	-0.3585	0.2944	2.3448	-0.0951	0.5695	1.5703	0.8469	2.2514	-9.4311	-77.6248	104.9419
28	2.2395	0.9766	-0.9437	0.4877	-0.5212	0.5629	0.4497	-0.1853	-0.252	-0.8264	-0.4363	-0.2115	0.3885	0.3573	0.3182	3.5739	-0.4843	1.9999	-0.5209	1.1313	3.7728	-13.9302	-88.1883	107.917
29	3.6982	1.3793	-2.1568	3.0522	-1.4792	2.109	0.2619	-1.8357	-0.2501	0.6901	0.4017	0.7756	0.4692	0.9825	-0.2312	0.6571	-0.1732	0.3145	1.3948	0.2259	1.2623	-1.3915	-42.795	107.6794
30	4.4182	-0.2121	-2.3588	4.4306	-1.6255	3.4677	0.3367	-0.7013	1.7524	1.2707	-0.4315	0.0517	0.0027	0.3809	0.2637	0.5483	-0.2386	0.4627	0.2363	0.2613	2.2875	3.6071	-34.2704	101.1702
31	2.8079	2.0807	-1.5441	2.1137	-1.255	2.2709	0.3396	-1.408	0.3878	-0.0186	-0.4148	0.2709	0.5324	0.339	-0.038	0.7702	0.1057	0.1657	1.2966	0.4354	1.676	-2.9819	-46.2703	105.6329
32	6.8738	-5.6487	5.0463	9.0732	-4.2974	8.411	0.2408	0.0038	-0.4338	-0.2264	0.0211	-0.714	0.3645	0.8665	-0.1584	1.3769	-0.0111	0.1808	1.4445	0.2756	1.4784	-10.105	-72.3532	116.1179
33	6.0783	-3.3006	5.0373	4.3746	-1.7212	5.5499	0.6625	-0.3092	0.8416	0.9175	-0.2298	-0.9067	0.4593	0.4555	-0.2438	1.1096	-0.1483	0.276	1.3891	0.4996	1.7765	-5.1027	-64.474	117.7693
34	1.1496	1.0176	2.2164	7.8729	-4.1704	9.6336	0.303	-0.3636	0.5671	-1.1566	-0.682	-1.0706	0.9432	1.4048	0.4213	1.114	0.085	0.2709	1.2699	0.1007	1.675	-10.6179	-69.2276	119.0745
35	0.4489	-0.3177	0.2328	0.4292	-0.9856	4.3531	-0.411	0.967	0.1775	-0.8756	-0.1988	0.4064	0.9324	0.3196	0.312	1.4682	-0.49	-0.3195	1.652	0.2073	0.9316	24.468	-15.3871	52.3901
36	3.9531	3.6339	-4.19	3.3549	-3.7857	4.8572	0.2315	1.6989	0.9644	-0.843	0.2391	0.455	-0.5706	-0.9137	-0.3471	0.2949	-0.6897	0.2114	2.7556	1.1759	1.2272	28.5359	-2.1877	53.3913
37	1.5617	-0.6863	-1.9049	3.2167	-1.6966	4.6094	0.3899	0.5349	0.6845	-1.2291	0.4085	1.4533	-0.3808	-0.5447	-0.701	0.9771	-0.5381	-0.4251	1.8781	0.6896	1.5266	22.8537	-7.6	53.5622
38	0.2133	0.1301	-0.2777	0.0123	-0.5047	0.2339	-1.0884	-0.6295	-0.9742	-0.9011	0.2001	-0.6881	0.363	0.1068	0.2377	2.0074	-0.5252	-0.0858	2.5189	0.8634	1.5605	46.1322	2.4237	30
39	1.2881	0.4109	1.5954	1.8729	0.2496	1.836	-0.2926	0.36	-1.2729	-1.5443	0.7781	0.4983	0.8033	-0.4974	-0.5943	2.5943	-0.8072	-0.0887	2.3508	0.7213	1.771	50.4285	-3.6062	29.3341
40	-0.0115	-0.131	-0.0184	2.8632	0.3126	-0.0571	-0.1453	0.9372	-0.5364	-1.9369	0.079	-1.0177	0.5145	0.9257	-0.1428	2.708	-0.665	0.3054	2.6088	-0.0873	0.9425	58.3658	1.1176	17.799
41	4.9051	2.3282	-2.1262	3.5817	-2.2708	5.5152	0.4668	-1.1975	0.7631	-0.2103	-0.2099	0.5011	-0.6462	0.8879	-0.2355	0.7611	-0.2249	-0.0089	1.3941	0.3157	1.116	40.3049	-2.3772	66.1557
42	0.3768	0.4933	-0.2799	3.2857	0.4869	1.0145	0.9978	0.3136	-0.7917	-0.6988	0.5124	0.1537	-0.5622	0.3642	-0.9485	1.2154	-0.2037	0.1774	2.0691	0.2597	1.5826	54.3896	8.6867	36.1352
43	0.3558	0.6345	-1.1522	3.8556	-3.0328	6.7147	-0.208	0.3156	0.356	-0.5628	0.5975	0.837	0.4053	-1.9325	-0.1081	1.4455	-0.3376	0.0391	2.0382	0.5209	1.1876	50.1123	11.2756	38.5301
44	3.9224	0.8996	1.9858	6.1601	-2.461	2.4068	0.5801	1.6435	-0.9594	-2.3489	0.1755	0.7351	-0.8346	0.2458	0.5872	1.379	0.6124	0.0131	2.2628	-0.242	0.8144	54.543	-100.901	-6.6568
45	6.0351	0.0933	3.7373	3.0736	0.4023	3.6448	0.3034	0.5278	-0.6255	1.217	-1.4671	-0.9484	-0.8144	0.4404	-0.2017	-0.4713	0.3782	-0.2295	1.9688	0.1608	0.7411	60.1587	-99.8562	12.4132
46	2.6689	-0.9712	-1.0891	1.2336	-0.6818	1.7997	0.492	0.2813	-0.1903	0.9174	-1.052	-0.229	0.158	1.6382	0.0711	0.5244	0.1736	-0.3276	1.3366	0.3592	0.93	64.2236	-93.4075	13.81
47	4.4499	3.1838	5.2495	4.5534	4.539	7.1825	0.595	1.4269	-2.2617	-0.991	-0.1127	1.3385	0.5066	0.1464	-0.8852	1.3389	0.3261	-0.4736	1.3623	-0.2129	1.3739	56.8908	-106.7021	-0.856
48	1.0208	1.1095	1.9392	5.7594	3.3964	4.2084	-0.4436	1.6384	-0.4415	-0.0352	-0.0275	-0.6529	0.5845	-0.371	-0.3394	0.9086	0.3527	0.0516	2.663	-0.0748	0.7454	65.9044	-98.7453	-3.8089
49	4.6195	-0.0565	-2.2184	3.698	0.5277	3.3841	-0.324	1.853	0.3512	-0.4978	0.6968	-0.3985	-1.2801	0.7636	-0.3788	1.2998	0.2841	0.4	2.5112	0.4283	1.5271	62.4928	-87.1002	-2.7672
50	3.368	-0.9138	-0.0674	1.2608	-0.2905	3.6251	0.0795	1.2545	0.0909	-1.1797	-0.622	-0.5893	-0.6603	1.9704	-0.4576	-2.5209	0.836	-0.6603	2.0298	0.6452	1.0681	57.0997	-94.3295	10.1989
51	0.137	-0.2432	-0.1469	3.7976	-1.6192	2.0981	0.5136	0.8509	0.591	-0.0187	-0.0398	1.1883	-0.5567	0.1164	-0.1808	0.8562	0.0061	-0.2775	1.2741	0.4713	1.4374	50.7045	-86.6473	17.1764
52	0.2007	0.4155	0.0017	0.8268	-0.229	1.1996	0.4122	1.3527	1.0424	0.439	-0.2065	0.8591	-0.5824	0.824	0.5927	0.0605	0.3096	-0.5955	2.1245	0.7507	1.0252	61.7458	-93.8742	12.6003
53	1.7523	-1.5124	0.5812	5.4441	1.46	1.8881	-0.3717	1.0634	-0.6999	-0.9812	-0.5493	0.0187	0.0245	0.3527	0.8682	0.5888	-0.0036	-0.0787	1.9085	0.1818	0.5585	52.9156	-94.1941	3.4169
54	0.5567	0.8484	-0.1549	2.9441	-1.3013	0.7265	0.37	0.8694	-1.2605	-0.1768	0.1772	-1.5785	1.981	1.1353	-0.6981	1.0009	0.5316	-0.7412	1.2813	-0.7591	2.3511	40.5222	-113.1459	5.4836
55	0.9618	-0.5652	-0.645	0.3211	0.2779	0.6156	0.3971	-0.1119	-0.6712	1.0751	1.0336	1.129	-0.7548	-0.7333	-0.4369	0.291	0.2849	0.2111	1.1999	0.3974	1.9587	32.4646	-91.916	12.3606
56	5.5426	-0.4021	1.8816	3.0875	-2.5447	3.8067	-0.0988	0.9567	-1.8851	-0.8194	0.9944	1.7274	1.0579	-1.2921	-0.5336	0.6674	0.0956	-0.1207	1.1027	0.1276	1.2873	32.9065	-102.2388	3.3578
57	0.395	-0.1562	0.0534	1.3023	-1.3008	1.4107	0.405	-0.1678	-1.3392	-0.0925	0.336	-0.5521	0.2492	0.3776	0.1109	1.0195	-0.1227	-0.1654	1.2018	0.2265	2.7024	33.6243	-113.9071	12.2089
58	6.3716	-1.1054	-0.1018	2.8065	-0.4351	3.5117	0.5944	-0.9238	-0.9804	1.1615	0.433	1.1853	-0.7803	-1.451	-0.4345	0.6289	-0.038	-0.2392	1.1657	0.5593	1.7451	33.207	-102.2592	18.3943
59	3.2698	0.1694	0.2166	3.2797	0.4578	7.6269	0.1744	0.483	0.6947	0.3695	1.1632	1.5529	0.0238	0.3478	-0.8051	0.5096	0.2402	0.178	1.0762	0.1117	1.2479	43.1428	-88.5296	12.0166
60	1.3149	-1.1725	-0.3985	1.065	0.507	0.7481	0.5815	-1.0156	-1.1828	0.5815	-0.2391	1.4698	-0.06	-0.2145	-0.3868	0.6119	-0.0171	-0.0028	0.9826	0.2626	1.5636	35.7258	-96.2704	12.7617
61	3.4892	1.637	-0.1703	5.1179	-3.2019	3.6507	0.2648	-0.7166	0.5555	-0.2951	0.2742	0.9401	-0.1514	0.515	-0.3298	1.5512	0.3269	0.1478	1.0455	-0.0075	1.3369	53.2934	-103.0028	49.2231
62	3.8803	-2.1948	1.0156	4.5294	-0.9603	1.7089	-0.0775	-2.4351	0.4679	0.568	0.7448	-0.6039	-0.1894	0.1027	-0.6619	1.0436	0.3772	0.2581	1.6549	0.5648	1.0225	52.9684	-107.8442	40.9634
63	4.2786	-1.1598	0.3953	5.2562	-1.5687	2.7057	-0.4542	-1.0345	-1.1695	0.5433	0.9143	2.1195	0.7036	0.0574	-0.5757	1.2543	0.4423	0.6886	1.2422	1.29	2.0705	44.6182	-110.421	42.4423
64	3.087	-3.3582	3.8938	5.5508	-2.9639	5.7887	0.6503	-0.9713	-1.9465	0.0339	-0.379	0.0847	0.809	-0.9895	-0.2977	1.4927	0.3292	0.0378	1.6431	0.9183	1.3627	52.3121	-113.4615	51.8632
65	1.9671	0.6517	-1.4524	0.3298	-0.2506	3.1724	-0.4374	-0.6269	0.1074	0.84	-0.5122	0.3379	-0.4161	0.0209	-0.4364	0.7869	0.2324	0.4941	1.464	0.7051	1.9947	57.3368	-104.2478	33.8148
66	0.9786	0.1065	1.2795	0.1003	-0.222	2.5121	-1.5227	-0.1294	-0.8266	1.6966	0.6984	0.2064	-0.6226	0.3997	0.4407	2.7318	0.3674	0.5792	2.4412	0.8782	0.9583	56.972	-112.1806	63.1485
67	4.7362	-1.7456	-0.0364	1.2379	0.7382	0.8861	-0.5715	0.1022	0.0364	0.4741	0.9548	0.3815	-0.8793	0.7132	0.291	1.6499	-0.3714	-0.4363	2.7688	0.6465	1.5869	84.6897	-126.2362	67.3446
68	1.8951	-0.4226	-0.252	2.1455	0.6047	0.3506	0.7254	-1.8194	0.1923	0.0304	0.0737	-0.251	-0.5269	-0.9051	0.2471	2.953	0.5466	-0.2522	2.4059	0.8723	1.3098	76.741	-115.1803	67.0917
69	5.7562	-2.3221	2.1962	1.7689	-0.4917	1.3603	0.1668	-1.1935	-0.957	1.2836	0.02	0.3965	-1.0489	0.8121	-0.9232	2.9893	0.7189	-0.3555	2.7409	0.4998	1.2204	81.2797	-117.6691	77.6353
70	4.3677	-1.7013	1.6809	2.4049	-1.0138	1.9613	0.1017	-0.116	-1.7382	-0.0153	-0.0567	0.0985	-0.0616	0.6802	-0.1934	0.8668	0.4144	0.0457	1.3737	0.6094	1.2097	69.0302	-117.7781	32.3427
71	2.4245	-1.2127	0.5716	1.7392	-0.2539	1.3005	0.3628	1.3273	0.1193	-0.4505	-0.067	0.6513	0.791	-0.105	-0.3014	0.6137	0.4639	0.079	1.6755	0.3715	1.346	64.1352	-111.2297	23.9148
72	2.3017	-0.6502	1.6772	2.8451	-1.6187	3.9988	0.0281	0.3728	-0.6799	-0.0257	0.2367	0.4174	0.4145	0.2845	-0.3238	0.739	0.177	0.1003	1.4145	0.5282	1.2296	70.6524	-115.7903	35.7343
73	8.37	5.7198	-7.6889	7.254	-4.786	7.7557	0.4479	-0.5231	-0.465	-0.4336	-0.0525	1.2381	-0.0776	-0.6846	-0.303	1.885	-0.0072	-0.1528	1.5264	0.5907	1.4958	77.8191	-126.2586	61.7713
74	4.0884	4.0696	-0.7034	5.966	-2.132	4.3597	0.1862	-0.5445	-1.1831	1.0364	-0.048	0.3156	0.1227	-0.7177	-0.6675	1.2645	0.3627	-0.2673	2.0033	0.5978	1.5959	72.8075	-128.0834	54.0859
75	0.8162	-0.8732	2.3923	4.0658	-0.8962	7.8211	0.0988	-0.1744	-1.3377	0.3171	0.3408	0.4333	-0.0335	-0.427	-0.3797	1.2437	0.403	-0.078	1.7985	0.6207	1.6187	78.3829	-129.2003	58.7336
76	0.7747	0.7173	0.2327	4.6601	-0.6214	2.7538	-0.2202	0.3992	0.6356	0.4874	-0.0631	-0.9263	-0.4272	0.3635	0.3165	1.3937	-0.3248	-0.3788	1.3386	0.182	1.5935	42.9989	-62.4635	4.8126
77	2.6403	-0.0174	0.9423	3.9691	-1.1113	3.2399	-0.3731	-0.1996	1.2036	-0.6273	-0.4052	-0.2774	-0.8971	0.2785	0.4239	0.8809	-0.1488	-0.2596	1.1721	0.7787	1.7444	39.3412	-63.6123	-8.2127
78	5.1403	2.3622	-3.4116	3.3854	-1.6091	2.0637	0.052	1.5778	1.0661	-0.1149	-0.6515	-0.4604	-1.0358	1.6533	0.2766	1.0019	-0.3995	-0.4739	1.7896	0.821	1.5307	44.8397	-63.6789	-2.8408
79	0.0789	-0.141	0.1416	0.1501	-0.0194	0.1927	-0.5647	0.7	0.4581	0.4149	0.1987	-0.0769	-0.9664	0.236	0.3511	1.9167	-0.0818	-0.5691	1.2236	0.7188	2.742	21.4632	-40.5251	-13.1353
80	0.6698	0.6516	0.7391	0.9002	1.1503	2.3285	0.1077	-1.8309	-0.8198	1.2167	0.2727	-0.6736	-1.0526	-0.1726	0.092	2.4611	-0.0568	-0.3649	1.3903	0.529	2.2867	15.7035	-36.9629	-8.0944
81	5.0089	-2.0468	1.4499	4.5788	-1.4427	3.0593	0.4479	1.2355	-0.6024	-0.6564	-0.211	0.4509	-0.1802	0.2733	0.0099	0.7784	0.0614	-0.3344	1.4144	0.2696	1.3191	27.39	-76.4202	-8.2358
82	1.4571	0.3004	-1.5049	0.8383	1.6045	4.8719	0.7612	0.3125	0.0718	-0.4854	-0.462	-0.0257	-0.9629	-0.152	0.4919	1.2713	0.2063	-0.38	1.3665	0.7588	2.039	13.3021	-46.462	-19.4489
83	-0.046	0.0615	-0.0001	6.6562	-3.879	1.9043	0.2902	0.68	-0.0601	0.2562	-0.8525	-0.8336	-0.3931	1.0757	0.3026	1.2653	0.0266	-0.2673	1.4568	0.5804	1.9465	17.696	-48.797	-21.8042

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 459 through 469 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 470 through 481 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 482 through 501 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 502 through 511 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 512 through 521 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 522 through 531 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 532 through 554 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 555 through 564 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 565 through 594 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 595 through 605 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 459 through 469 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 470 through 491 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 492 through 515 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 516 through 525 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 526 through 545 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 546 through 563 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 564 through 582 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 583 through 605 )
19	X-RAY DIFFRACTION	19	chain 'L' and (resid 1 through 18 )
20	X-RAY DIFFRACTION	20	chain 'L' and (resid 19 through 34 )
21	X-RAY DIFFRACTION	21	chain 'L' and (resid 35 through 48 )
22	X-RAY DIFFRACTION	22	chain 'L' and (resid 49 through 75 )
23	X-RAY DIFFRACTION	23	chain 'L' and (resid 76 through 88 )
24	X-RAY DIFFRACTION	24	chain 'L' and (resid 89 through 101 )
25	X-RAY DIFFRACTION	25	chain 'L' and (resid 102 through 113 )
26	X-RAY DIFFRACTION	26	chain 'L' and (resid 114 through 128 )
27	X-RAY DIFFRACTION	27	chain 'L' and (resid 129 through 187 )
28	X-RAY DIFFRACTION	28	chain 'L' and (resid 188 through 212 )
29	X-RAY DIFFRACTION	29	chain 'H' and (resid 1 through 42 )
30	X-RAY DIFFRACTION	30	chain 'H' and (resid 43 through 58 )
31	X-RAY DIFFRACTION	31	chain 'H' and (resid 59 through 144 )
32	X-RAY DIFFRACTION	32	chain 'H' and (resid 145 through 155 )
33	X-RAY DIFFRACTION	33	chain 'H' and (resid 156 through 175 )
34	X-RAY DIFFRACTION	34	chain 'H' and (resid 176 through 223 )
35	X-RAY DIFFRACTION	35	chain 'C' and (resid 1 through 33 )
36	X-RAY DIFFRACTION	36	chain 'C' and (resid 34 through 49 )
37	X-RAY DIFFRACTION	37	chain 'C' and (resid 50 through 101 )
38	X-RAY DIFFRACTION	38	chain 'C' and (resid 102 through 139 )
39	X-RAY DIFFRACTION	39	chain 'C' and (resid 140 through 186 )
40	X-RAY DIFFRACTION	40	chain 'C' and (resid 187 through 211 )
41	X-RAY DIFFRACTION	41	chain 'D' and (resid 1 through 119 )
42	X-RAY DIFFRACTION	42	chain 'D' and (resid 120 through 145 )
43	X-RAY DIFFRACTION	43	chain 'D' and (resid 146 through 223 )
44	X-RAY DIFFRACTION	44	chain 'E' and (resid 459 through 469 )
45	X-RAY DIFFRACTION	45	chain 'E' and (resid 470 through 481 )
46	X-RAY DIFFRACTION	46	chain 'E' and (resid 482 through 501 )
47	X-RAY DIFFRACTION	47	chain 'E' and (resid 502 through 511 )
48	X-RAY DIFFRACTION	48	chain 'E' and (resid 512 through 521 )
49	X-RAY DIFFRACTION	49	chain 'E' and (resid 522 through 531 )
50	X-RAY DIFFRACTION	50	chain 'E' and (resid 532 through 554 )
51	X-RAY DIFFRACTION	51	chain 'E' and (resid 555 through 564 )
52	X-RAY DIFFRACTION	52	chain 'E' and (resid 565 through 594 )
53	X-RAY DIFFRACTION	53	chain 'E' and (resid 595 through 605 )
54	X-RAY DIFFRACTION	54	chain 'F' and (resid 459 through 469 )
55	X-RAY DIFFRACTION	55	chain 'F' and (resid 470 through 491 )
56	X-RAY DIFFRACTION	56	chain 'F' and (resid 492 through 515 )
57	X-RAY DIFFRACTION	57	chain 'F' and (resid 516 through 525 )
58	X-RAY DIFFRACTION	58	chain 'F' and (resid 526 through 545 )
59	X-RAY DIFFRACTION	59	chain 'F' and (resid 546 through 563 )
60	X-RAY DIFFRACTION	60	chain 'F' and (resid 564 through 605 )
61	X-RAY DIFFRACTION	61	chain 'K' and (resid 1 through 18 )
62	X-RAY DIFFRACTION	62	chain 'K' and (resid 19 through 48 )
63	X-RAY DIFFRACTION	63	chain 'K' and (resid 49 through 75 )
64	X-RAY DIFFRACTION	64	chain 'K' and (resid 76 through 88 )
65	X-RAY DIFFRACTION	65	chain 'K' and (resid 89 through 101 )
66	X-RAY DIFFRACTION	66	chain 'K' and (resid 102 through 113 )
67	X-RAY DIFFRACTION	67	chain 'K' and (resid 114 through 128 )
68	X-RAY DIFFRACTION	68	chain 'K' and (resid 129 through 187 )
69	X-RAY DIFFRACTION	69	chain 'K' and (resid 188 through 212 )
70	X-RAY DIFFRACTION	70	chain 'J' and (resid 1 through 42 )
71	X-RAY DIFFRACTION	71	chain 'J' and (resid 43 through 58 )
72	X-RAY DIFFRACTION	72	chain 'J' and (resid 59 through 144 )
73	X-RAY DIFFRACTION	73	chain 'J' and (resid 145 through 155 )
74	X-RAY DIFFRACTION	74	chain 'J' and (resid 156 through 175 )
75	X-RAY DIFFRACTION	75	chain 'J' and (resid 176 through 223 )
76	X-RAY DIFFRACTION	76	chain 'G' and (resid 1 through 33 )
77	X-RAY DIFFRACTION	77	chain 'G' and (resid 34 through 49 )
78	X-RAY DIFFRACTION	78	chain 'G' and (resid 50 through 101 )
79	X-RAY DIFFRACTION	79	chain 'G' and (resid 102 through 139 )
80	X-RAY DIFFRACTION	80	chain 'G' and (resid 140 through 211 )
81	X-RAY DIFFRACTION	81	chain 'I' and (resid 1 through 119 )
82	X-RAY DIFFRACTION	82	chain 'I' and (resid 120 through 145 )
83	X-RAY DIFFRACTION	83	chain 'I' and (resid 146 through 223 )

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