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- PDB-5xv4: Crystal structure of ATG101-ATG13HORMA -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5xv4
TitleCrystal structure of ATG101-ATG13HORMA
Components
  • Autophagy-related protein 101
  • Autophagy-related protein 13
KeywordsPROTEIN BINDING / AUTOPHAGY / ATG101 / ATG13 / HORMA
Function / homology
Function and homology information


regulation of protein lipidation / Atg1/ULK1 kinase complex / response to mitochondrial depolarisation / protein localization to phagophore assembly site / phagophore assembly site membrane / piecemeal microautophagy of the nucleus / protein kinase regulator activity / phagophore assembly site / positive regulation of protein targeting to mitochondrion / Macroautophagy ...regulation of protein lipidation / Atg1/ULK1 kinase complex / response to mitochondrial depolarisation / protein localization to phagophore assembly site / phagophore assembly site membrane / piecemeal microautophagy of the nucleus / protein kinase regulator activity / phagophore assembly site / positive regulation of protein targeting to mitochondrion / Macroautophagy / mitophagy / autophagosome assembly / autophagosome / positive regulation of autophagy / protein serine/threonine kinase activator activity / negative regulation of cell population proliferation / protein-containing complex binding / endoplasmic reticulum membrane / protein kinase binding / mitochondrion / identical protein binding / cytoplasm / cytosol
Similarity search - Function
Autophagy-related protein 101 / Autophagy-related protein 101 / Autophagy-related protein 13, N-terminal / Autophagy-related protein 13 / Autophagy-related protein 13 / Cell Cycle, Spindle Assembly Checkpoint Protein; Chain A / HORMA domain / HORMA domain superfamily / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Autophagy-related protein 13 / Autophagy-related protein 101
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.95 Å
AuthorsKim, B.-W. / Song, H.K.
CitationJournal: Autophagy / Year: 2018
Title: The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation.
Authors: Kim, B.-W. / Jin, Y. / Kim, J. / Kim, J.H. / Jung, J. / Kang, S. / Kim, I.Y. / Kim, J. / Cheong, H. / Song, H.K.
History
DepositionJun 26, 2017Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jul 4, 2018Provider: repository / Type: Initial release
Revision 1.1Jan 16, 2019Group: 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 1.2Nov 22, 2023Group: 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Autophagy-related protein 13
B: Autophagy-related protein 101
C: Autophagy-related protein 13
D: Autophagy-related protein 101
E: Autophagy-related protein 13
F: Autophagy-related protein 101
G: Autophagy-related protein 13
H: Autophagy-related protein 101
I: Autophagy-related protein 13
J: Autophagy-related protein 101
K: Autophagy-related protein 13
L: Autophagy-related protein 101
M: Autophagy-related protein 13
N: Autophagy-related protein 101
O: Autophagy-related protein 13
P: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)369,45716
Polymers369,45716
Non-polymers00
Water00
1
A: Autophagy-related protein 13
B: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)46,1822
Polymers46,1822
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2550 Å2
ΔGint-12 kcal/mol
Surface area18780 Å2
MethodPISA
2
C: Autophagy-related protein 13
D: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)46,1822
Polymers46,1822
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2530 Å2
ΔGint-11 kcal/mol
Surface area19460 Å2
MethodPISA
3
E: Autophagy-related protein 13
F: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)46,1822
Polymers46,1822
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2480 Å2
ΔGint-14 kcal/mol
Surface area18950 Å2
MethodPISA
4
G: Autophagy-related protein 13
H: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)46,1822
Polymers46,1822
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2610 Å2
ΔGint-11 kcal/mol
Surface area19450 Å2
MethodPISA
5
I: Autophagy-related protein 13
J: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)46,1822
Polymers46,1822
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2600 Å2
ΔGint-13 kcal/mol
Surface area19120 Å2
MethodPISA
6
K: Autophagy-related protein 13
L: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)46,1822
Polymers46,1822
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2560 Å2
ΔGint-12 kcal/mol
Surface area19290 Å2
MethodPISA
7
M: Autophagy-related protein 13
N: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)46,1822
Polymers46,1822
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2580 Å2
ΔGint-12 kcal/mol
Surface area19700 Å2
MethodPISA
8
O: Autophagy-related protein 13
P: Autophagy-related protein 101


Theoretical massNumber of molelcules
Total (without water)46,1822
Polymers46,1822
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2520 Å2
ΔGint-12 kcal/mol
Surface area19320 Å2
MethodPISA
Unit cell
Length a, b, c (Å)101.287, 125.356, 174.618
Angle α, β, γ (deg.)90.000, 95.690, 90.000
Int Tables number3
Space group name H-MP121

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Components

#1: Protein
Autophagy-related protein 13


Mass: 21319.652 Da / Num. of mol.: 8 / Fragment: UNP residues 1-190
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ATG13, KIAA0652 / Production host: Escherichia coli (E. coli) / References: UniProt: O75143
#2: Protein
Autophagy-related protein 101


Mass: 24862.424 Da / Num. of mol.: 8 / Mutation: K40A/K41A/E42A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ATG101, C12orf44, PP894 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9BSB4

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.97 Å3/Da / Density % sol: 58.65 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 0.1M HEPES (pH7.5), 0.2M MgCl2, 6-8% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NE3A / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 4, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.95→50 Å / Num. obs: 89076 / % possible obs: 97.6 % / Redundancy: 3.6 % / Rmerge(I) obs: 0.089 / Rpim(I) all: 0.054 / Rrim(I) all: 0.104 / Χ2: 1.124 / Net I/av σ(I): 16.467 / Net I/σ(I): 5.6 / Num. measured all: 317835
Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allCC1/2Rpim(I) allRrim(I) allΧ2% possible all
2.95-33.40.57942830.9560.3550.6820.56794.4
3-3.063.60.50442990.9670.30.5890.56794.4
3.06-3.113.60.4343410.9750.2570.5030.56195.6
3.11-3.183.60.36642970.9760.2180.4280.60795
3.18-3.253.50.29643840.9840.1780.3470.66996.2
3.25-3.323.50.22743550.9880.1360.2660.71696.3
3.32-3.413.50.20444070.990.1240.240.71596.5
3.41-3.53.50.18544340.9880.1120.2180.80396.8
3.5-3.63.50.14843870.9920.0890.1740.76897
3.6-3.723.50.12344390.9940.0750.1450.93397.1
3.72-3.853.40.11344320.9930.070.1331.01997.9
3.85-43.20.09944300.9940.0650.1191.28897.7
4-4.193.40.08645470.9950.0550.1031.28499
4.19-4.413.40.07945140.9950.050.0941.54199.2
4.41-4.683.80.07645690.9960.0460.0891.58599.8
4.68-5.043.90.07445620.9950.0440.0861.65799.8
5.04-5.553.90.06845700.9960.0410.0791.50399.7
5.55-6.353.80.07545660.9950.0450.0871.50599.8
6.35-83.40.0646110.9960.0380.0711.66299.8
8-503.80.04846490.9970.0280.0562.04798.9

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Processing

Software
NameVersionClassification
HKL-2000data scaling
PHENIX1.10.1_2155refinement
PDB_EXTRACT3.2data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5XUY
Resolution: 2.95→35.782 Å / SU ML: 0.47 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 43.79
RfactorNum. reflection% reflection
Rfree0.3128 1959 2.24 %
Rwork0.2861 --
obs0.2867 87494 95.32 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 150.09 Å2 / Biso mean: 76.7525 Å2 / Biso min: 41.37 Å2
Refinement stepCycle: final / Resolution: 2.95→35.782 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23827 0 0 0 23827
Num. residues----3124
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00324231
X-RAY DIFFRACTIONf_angle_d0.58532872
X-RAY DIFFRACTIONf_chiral_restr0.0423884
X-RAY DIFFRACTIONf_plane_restr0.0034165
X-RAY DIFFRACTIONf_dihedral_angle_d15.12314494
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.9473-3.0210.43491250.4075475560086
3.021-3.10260.40541390.37635979611893
3.1026-3.19380.37471380.37256005614394
3.1938-3.29690.36751400.3556060620095
3.2969-3.41460.31371390.33276009614895
3.4146-3.55120.35681380.33096049618795
3.5512-3.71270.3581400.31056140628095
3.7127-3.90820.35841420.29526183632597
3.9082-4.15270.29751390.27426166630597
4.1527-4.47280.28861380.26796238637697
4.4728-4.92190.25511470.25356274642198
4.9219-5.63170.32551470.25776368651599
5.6317-7.08630.33681460.27776303644998
7.0863-35.7850.2191410.22246286642796
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.4114-1.324-0.07382.83241.58454.7490.13690.0483-0.3156-0.4209-0.3205-0.9888-0.46850.0779-0.04850.4598-0.13690.29660.3584-0.0810.9852-80.76016.115261.1263
24.5586-1.2024-0.45524.93222.72594.89760.0459-1.1301-1.04940.74140.0996-0.5040.5899-0.46860.23470.4464-0.0530.03230.81620.09571.1445-89.32345.596378.6575
36.6787-5.8296-0.47817.68270.5461.2413-0.2574-0.8357-0.42881.2308-0.2424-0.6864-0.06810.0638-0.03930.6566-0.15050.20770.3967-0.06371.0439-81.893512.495670.6359
42.9266-0.99970.24243.3477-0.89123.36050.21260.2521-1.2092-0.0497-0.2949-0.01290.37270.55260.050.5090.00470.20060.689-0.0961.518-77.043-3.241660.7161
57.81735.48-3.43963.9337-2.99185.2422-0.1368-0.9132-2.2631-0.0715-0.3847-0.57312.22630.27390.60280.9661-0.11480.22080.6320.0391.6564-89.441-17.234869.7432
62.1239-0.659-0.01990.45490.68052.78020.11540.71540.1108-0.4685-0.14280.0178-0.7182-0.35540.03130.84870.0185-0.00740.5709-0.19031.0432-87.28765.037152.5024
72.74371.1461-1.07514.3354-0.89464.21510.1509-0.0957-0.38070.0835-0.10030.42180.0032-0.3921-0.03290.4413-0.02310.18440.365-0.03191.1634-93.17753.622766.2093
83.21910.14850.52273.5892-0.01890.0853-0.2904-0.5374-1.32810.6937-0.0579-0.0750.6493-0.13150.27030.7242-0.17870.30450.57630.17061.4825-86.877-12.215473.6533
91.0155-0.0689-0.68610.4385-0.41510.962-0.60190.3742-0.4526-1.03650.6534-0.69160.0732-0.22610.21971.6192-0.00180.1610.5779-0.21171.5472-89.5008-13.468856.7437
106.07554.7314-3.27836.8398-5.62567.33-0.37040.4535-0.4398-0.6510.15790.38120.3955-0.23820.28550.6226-0.05490.19370.7527-0.22471.3008-92.8981-0.717455.8242
116.66511.08280.74933.8383-0.01436.2915-0.1295-0.12131.0107-0.52480.29340.82610.4109-0.1915-0.18360.4996-0.1131-0.02040.6275-0.26641.7176-112.51238.292468.8812
122.55031.47760.6043.42890.2861.89070.014-0.3485-0.20830.06980.0525-0.03280.03060.0855-0.08960.4917-0.07770.22460.3954-0.13771.1231-96.101314.151971.8242
131.2016-0.69350.75142.14350.44910.90760.3852-0.14360.38040.5013-0.22581.03860.1754-0.074-0.22180.6639-0.11080.21530.6503-0.14351.5856-112.67618.753970.0677
146.93783.4381-3.50187.2834-4.86044.0761-0.284-0.4131-0.69020.2683-0.17880.42440.7088-0.71980.50750.7503-0.14650.23050.506-0.05791.296-109.0152-1.542970.0539
152.70770.66780.33943.3375-0.86323.0617-0.35430.390.9721-0.2243-0.3456-0.1553-0.04230.05550.60620.6045-0.05550.19510.3923-0.04811.4481-97.96725.207664.8307
169.13156.09195.64015.47366.5669.03650.0328-0.05610.91820.26230.29751.33870.7896-0.4759-0.01490.8784-0.1607-0.00940.69720.06942.2039-127.18328.627862.6845
173.30870.90740.16547.68791.96178.2421-0.05910.38570.188-0.60080.23690.92710.3835-0.3614-0.16930.4539-0.2112-0.08670.4410.18181.4337-80.32946.972760.7407
182.87672.21830.36143.2246-0.2850.6040.1711-0.27090.48440.1727-0.255-0.5373-0.25010.22020.1580.8787-0.58490.44520.8947-0.20611.2244-70.875947.538879.0036
194.2201-1.27552.28373.11980.00984.0344-0.4724-0.66720.88310.7886-0.12541.2529-0.1329-0.59510.13050.5453-0.04520.19580.52750.00111.2627-81.431647.478269.532
202.76880.5491-0.21793.1464-0.22981.4133-0.08840.00261.6918-0.45980.16710.377-0.9674-0.10020.1580.8336-0.0621-0.00590.690.2172.194-75.58564.437662.8397
211.3832-0.70861.00410.61140.24084.68530.03690.60.5625-0.5301-0.1599-0.13140.10860.20210.0820.7565-0.02210.24560.60590.26271.2695-73.230948.295152.8165
223.48821.50310.20043.3957-1.35874.47470.1883-0.09990.0156-0.0726-0.2077-0.07420.04110.21120.01090.5331-0.09880.19490.3469-0.01611.0154-69.128944.836262.9319
232.27290.81391.85762.1099-0.00921.7737-0.54530.22051.6558-0.47860.01320.6143-0.69640.40530.45620.7607-0.15490.14990.62420.16011.7459-68.890260.132962.8261
245.91933.24192.533.42120.11584.6952-0.08711.1952-0.6834-0.80620.7831-0.6713-0.21430.7976-0.32720.43420.0740.26740.8683-0.00031.372-47.970342.753360.8995
253.16922.83870.61145.58721.26511.92890.4046-0.70470.05430.5652-0.4870.1043-0.053-0.0149-0.09750.5207-0.13860.28990.50670.06441.0438-61.375640.720273.1503
265.18880.15530.61444.71171.73973.45420.5572-0.9876-0.81921.0637-0.4008-1.0268-0.0650.3264-0.15220.7067-0.16410.09880.8140.29151.2463-48.056437.655479.8512
271.65640.6308-0.14563.87610.71671.91290.13530.579-0.72430.4060.0314-0.66170.19420.448-0.24010.59150.01060.20310.73130.0711.5156-47.665333.127365.3484
288.90556.02077.70148.33456.6588.625-0.00130.30640.7432-0.09390.0608-0.2164-0.24590.7322-0.05030.6329-0.09060.28580.4981-0.01941.32-51.462554.818470.2601
292.84020.79721.26493.77072.33134.197-0.05410.1788-1.40260.0071-0.3373-0.66950.7455-0.03530.06630.5507-0.05010.10080.41920.02431.3569-62.348728.140664.9708
306.82255.2181-2.69144.0097-2.18991.8627-0.39720.2233-1.1121-0.52320.5716-0.56420.02380.1593-0.290.8818-0.01870.04150.7371-0.28812.0133-33.429144.923562.756
314.5855-1.5350.02524.89371.33364.9630.0278-0.27630.04770.631-0.04770.7909-0.6294-0.3139-0.14020.54480.08450.43220.36750.05530.956-130.448868.853469.2345
323.7861-0.4731-0.45265.5255-0.3152.80580.44490.8570.111-0.3215-0.38240.689-0.1651-0.1793-0.12150.3329-0.02920.12520.4536-0.00990.9911-126.566472.742956.7525
333.40840.11920.73.1511-0.79173.94520.01650.2743-1.18370.2274-0.06470.54150.7822-0.76130.06540.6274-0.15820.20490.47680.00371.1753-129.544254.232566.2399
342.68160.13580.65630.5808-1.50474.28940.0537-0.65490.17060.6898-0.1663-0.2474-0.7834-0.40450.14690.906-0.14550.02790.48010.03760.8726-123.876167.785377.8424
355.13-2.4058-1.13279.07731.8034.73920.075-0.0483-0.67820.204-0.2445-0.83510.21120.29380.13270.3561-0.03440.11710.33430.06110.5409-118.022666.32764.2285
367.148-3.4804-4.78224.63843.52086.2601-0.47780.354-1.1148-0.4538-0.2461-0.14740.66660.10020.51990.5085-0.08350.24410.3542-0.16731.2371-123.628250.26456.4095
371.6473-0.7478-0.67932.6639-1.161.6141-0.4993-0.345-0.17410.86380.19870.81080.19170.24350.32841.0459-0.10410.26730.64140.30191.4746-122.086949.320873.4528
384.0947-3.06-1.81055.18244.48386.4387-0.0136-0.4322-0.55080.7867-0.0234-0.39840.4019-0.00570.01910.4634-0.0250.16010.65910.35210.9245-118.479862.037374.4721
395.5925-3.5969-1.73665.23920.53914.0299-0.3689-0.69281.14240.80530.6497-0.2922-0.27290.0681-0.30.46280.0670.11010.80730.12931.4776-98.201372.422267.8424
402.8416-0.1242-0.44242.2416-0.86872.23450.00240.19130.29-0.09990.01840.10190.01110.0948-0.0050.3278-0.04750.14270.42150.05370.834-112.545375.571257.6365
414.6111-0.02941.22042.3066-0.19631.65640.54621.30710.61510.0786-0.6288-1.13080.05220.2328-0.11620.58330.05590.39440.73530.17131.545-96.678977.361452.7665
421.58140.0045-0.38281.3004-1.38561.66860.1181-0.30940.53750.5588-0.1061-0.7784-0.1312-0.02760.0120.5158-0.19390.04740.632-0.03321.5101-99.853284.566566.2793
435.1565-2.7717-2.22057.53914.65194.9007-0.29320.202-1.1765-0.0864-0.197-0.72171.10010.72470.38760.64880.12540.21090.48260.13721.239-100.940459.333858.0836
443.9226-0.14250.45412.13790.33495.8607-0.0503-0.291.33880.1384-0.5042-0.3018-0.4697-0.14630.31830.5495-0.05370.11810.3351-0.0281.2424-112.874686.28866.4264
455.6096-2.90673.70383.1368-1.16875.3991-0.32410.08850.93060.42730.2395-0.92180.25190.48330.07140.9163-0.007-0.02160.7319-0.10262.0549-84.08571.248267.8296
463.9749-0.32751.23987.1262-1.87738.09760.0501-0.1910.79080.57350.1089-1.10310.37180.2824-0.2680.39580.02270.0560.4976-0.26061.3792-30.181-15.335569.0201
473.1570.4161-0.12021.2813-0.45284.0052-0.03840.13541.0264-0.1874-0.1747-0.577-0.5893-0.00440.31350.5727-0.03950.20880.5272-0.0461.4721-30.4972-13.155662.4802
482.7960.03770.90.94691.50422.6428-0.35930.56311.29740.3174-0.4798-1.0413-1.30410.50620.83391.1023-0.06840.03220.73510.14392.6102-38.77128.142760.2181
492.54420.43821.00030.9171-1.0314.9526-0.1646-0.55240.40971.1345-0.5341-0.34850.5279-0.3680.64020.994-0.09350.05450.6548-0.25331.4582-36.6942-14.246877.5444
502.5219-0.68052.24542.5709-1.63673.0406-0.2677-0.52331.16930.41140.1743-0.3421-0.623-0.4580.23430.71040.01850.25120.5762-0.20371.6111-40.998-6.374467.4657
516.2056-1.87561.72414.1842-2.49548.16150.7154-0.5226-0.31210.12880.33370.7412-0.6417-0.3875-0.86560.3736-0.06240.1280.7847-0.26531.2832-62.076-17.631561.2783
524.5521-2.78620.23033.22690.03221.67940.44350.58520.0502-0.3865-0.3911-0.4956-0.0045-0.0246-0.15520.5587-0.02540.24890.3968-0.08081.047-45.6022-23.350558.3514
537.1763-2.73930.3143.8791-0.30172.52750.79211.3136-0.8448-1.0041-0.5920.8149-0.003-0.2451-0.2460.74750.1817-0.07590.756-0.30471.2489-61.7874-24.982750.378
541.50390.3071-0.6042.1922-0.12961.77190.127-0.3883-0.64550.0027-0.06270.76840.3295-0.2667-0.14790.5946-0.17490.19330.6618-0.16591.5207-62.2575-29.528664.9104
555.8733-2.84334.52014.6379-3.19257.3246-0.1371-0.27210.71970.40380.08870.2043-0.8721-0.828-0.04520.60560.04060.33860.5548-0.09261.2252-58.4179-7.755860.0076
561.9302-0.02020.72165.6925-0.31032.2504-0.0645-0.316-1.4219-0.0831-0.29730.55860.2819-0.1870.20590.4864-0.10460.03930.53680.03451.508-46.1356-34.87165.9897
575.6898-4.8172-1.66764.1910.94922.2119-0.055-0.5281-1.11990.82130.18390.5934-0.1095-0.452-0.09840.7468-0.15080.11770.8398-0.02111.5398-73.7673-18.35468.2802
582.5099-0.69230.74572.4436-0.38944.470.1990.4122-0.0159-0.082-0.20890.5955-0.6102-0.1122-0.15140.26080.17950.07080.29670.03291.2059-119.81617.79219.7323
593.5215-1.94120.08952.5417-1.90882.3559-0.034-0.0798-0.98390.1654-0.10630.15120.358-0.06650.07980.42920.1768-0.05830.3570.10431.7695-118.7591-4.039726.6845
601.8409-0.26580.13732.64311.15381.9115-0.0098-0.1229-1.29180.2449-0.14450.39070.86360.09660.01020.36050.284-0.08540.20350.07541.6752-110.7967-3.259223.9461
614.7351-1.7380.10543.5709-1.24460.5180.17730.10020.51330.53330.3693-0.5213-0.0742-0.0096-0.35250.58020.2754-0.01990.59420.14811.2262-89.69218.086717.8166
621.1540.25950.38061.5030.28431.05050.49930.74840.0458-0.5381-0.2102-0.43770.04340.1274-0.12970.19930.68290.18320.03580.20931.2652-99.481714.25912.7155
630.770.2731-0.21710.7058-0.92141.21970.2028-0.22470.7662-0.2527-0.0414-0.7127-0.10490.1344-0.09840.39110.1240.0890.47740.02451.583-91.041221.810822.5304
643.9343-1.4861-1.53884.40861.67874.0361-0.14130.0506-0.2584-0.00750.1405-0.34471.02630.7509-0.27290.53420.31330.03920.2205-0.15181.1253-93.3777-1.6116.6546
652.1606-1.09410.01062.40891.1050.7776-0.2698-0.22390.60380.2524-0.0488-0.2495-0.00710.0375-0.25990.45620.34730.14230.16190.09221.4565-104.435325.089221.9558
664.4114-4.87432.46345.3939-2.84462.544-0.0026-0.23880.32140.29610.5815-0.55790.17980.2012-0.45040.97590.21060.00270.6672-0.01472.3361-75.31968.599723.9995
671.12180.5758-0.64341.39550.84971.6454-0.1087-0.3351-0.25860.56960.099-0.4760.46550.2973-0.05730.02880.7893-0.4068-0.0072-0.04680.5305-21.35547.081925.7251
682.3861-0.52970.42712.6233-0.06341.12830.10560.35950.386-0.2644-0.1261-0.63330.02860.30750.2020.12020.31490.06980.33270.08431.0802-22.459147.157414.8647
692.30520.5111-0.23531.72091.84952.2683-0.4007-0.05061.12450.0787-0.0306-0.8873-0.56040.08360.55950.46420.15580.01550.2526-0.07481.4134-25.313664.027324.1444
703.4078-0.8626-0.62561.64761.97933.7381-0.0393-0.7007-0.81691.0568-0.2346-0.04771.08190.28220.05060.7319-0.007-0.00430.2939-0.14690.8991-27.825148.229334.1802
713.1516-0.69620.63412.34260.22183.3688-0.0633-0.08310.29880.42740.10220.1628-0.1964-0.42870.01060.25520.2022-0.02680.1390.26710.643-33.801349.543820.6461
725.333-0.27884.1191.1816-1.61276.0506-0.28310.19220.7138-0.46290.31590.8891-0.7267-0.5625-0.19730.54740.0546-0.1250.39190.1871.4351-28.239765.707512.6816
730.31320.2769-0.25310.4925-1.10093.2879-0.6392-0.1614-0.06750.6847-0.2608-0.3377-0.8582-1.03810.84320.79060.1677-0.07960.5444-0.40381.3005-29.859166.48529.7466
743.6256-1.89340.55665.993-1.26584.19-0.3241-0.38380.31860.92480.49770.164-0.2995-0.1891-0.12390.34960.2388-0.07790.4191-0.45260.8725-33.413453.905630.8775
755.6739-3.93783.37823.2305-1.0615.4092-0.3642-1.0141-0.70570.59871.00920.3665-0.1111-0.9054-0.19230.3325-0.06090.20050.8869-0.26461.484-53.4343.556124.5051
761.353-0.6265-0.36722.52140.18361.27540.12220.2456-0.4917-0.0551-0.160.26570.20750.0164-0.1884-0.2730.6203-0.0118-0.2754-0.08210.8571-39.288940.368814.0719
773.6095-1.16680.76291.736-1.29412.30290.34630.47160.0699-0.2639-0.25260.6668-0.2575-0.5201-0.24540.25010.4178-0.03450.705-0.32991.2859-53.070537.59117.2112
780.37560.1074-0.18461.04511.11211.4319-0.09970.034-0.38610.29310.09090.65880.4882-0.2323-0.13510.5346-0.01030.00930.31390.06281.5702-52.30126.204523.1378
793.23220.3166-0.60231.546-0.16692.1422-0.0852-0.3904-0.30110.05970.13850.6601-0.1649-0.3864-0.06910.25810.02320.24160.4503-0.10111.2315-54.755441.203520.0248
802.5261-1.16140.7632.9377-0.84992.6313-0.09140.00070.334-0.15260.03770.6187-0.5451-0.5934-0.17540.13090.6141-0.07230.1929-0.21610.879-49.582754.919616.7997
811.91790.45230.92793.4533-0.52584.3531-0.749-0.2514-0.76360.4660.00360.3090.2336-0.55630.55960.56390.14220.32750.70160.3281.4122-37.121826.672927.9272
822.5004-0.93590.95844.7038-1.99920.98370.24180.2983-0.6967-0.751-0.46490.00510.42350.02750.03070.41360.1547-0.04920.0283-0.1060.9674-37.622728.981616.7061
836.6366-4.6383-2.09584.13361.01332.057-0.176-0.6232-0.68370.49570.40910.1665-0.2018-0.6512-0.21840.40850.23340.14640.84960.09611.4453-64.781543.788124.5886
844.0096-1.21950.12182.9750.68632.72550.0614-0.20720.0364-0.24490.0162-0.8676-0.44350.1204-0.40920.0589-0.0660.29990.22840.02171.1387-73.593370.818123.2412
854.4131-0.8560.60312.22691.24592.2683-0.2206-0.0473-0.7645-0.3465-0.0839-0.24270.18080.34120.20110.3550.16080.14990.3287-0.0941.3047-74.838758.832416.706
862.6393-0.3223-0.24584.56610.56821.56840.29620.1385-0.6783-0.23820.10410.4495-0.0758-0.2938-0.10430.3880.13950.13750.08840.03640.6132-84.440366.352322.7802
872.1203-0.8932-1.11090.7729-0.28772.8694-0.22980.2242-0.823-0.3995-0.1901-0.34020.1393-0.42030.26310.47670.14630.29020.3518-0.231.1388-81.760355.639217.3591
883.04751.0473-0.95131.7230.03491.41090.045-0.07760.50620.042-0.09050.4427-0.1716-0.18710.00970.07320.21480.18220.2491-0.13231.0573-92.563775.029427.3525
897.57770.55062.83063.49291.71452.93840.4582-0.8288-0.14490.4492-0.19870.66430.1202-0.52640.1830.31290.10050.47460.4948-0.21871.3137-105.779577.415434.1303
902.0354-1.53490.30562.34650.1381.26930.13970.24060.5593-0.2528-0.28080.2952-0.2241-0.129-0.02230.37870.2964-0.14640.50680.03071.344-102.569184.510820.5582
916.09763.0611-2.40715.8115-2.53776.4373-0.0505-0.0497-0.94520.4558-0.17040.55820.6246-0.32680.03530.4982-0.06180.19910.3225-0.07261.1668-101.096759.468928.6832
920.68480.6217-1.39024.4026-0.35273.024-0.71170.4480.8436-0.6639-0.33560.90520.0411-0.12320.22450.50820.02510.03410.54620.23321.3975-89.226782.084713.2203
932.9684-2.26060.69992.8307-0.27420.3254-0.435-0.21010.68310.2501-0.04490.1114-0.337-0.2367-0.37340.26640.41680.20630.117-0.21021.353-88.234689.241724.752
941.18691.8676-0.46633.6821-1.27342.21360.15490.0636-0.2233-0.34750.456-0.05080.3509-0.48880.09330.30680.24470.10520.4736-0.07871.537-116.269369.945717.4767
952.3543-1.35670.31422.78940.20161.46040.0318-0.13370.31010.30430.11470.59120.22190.1776-0.07560.25150.15960.15970.17150.10011.3147-69.0975-17.142823.7136
963.3566-1.0923-0.55721.3056-1.03692.3489-0.0928-0.08011.0701-0.0646-0.35080.0851-0.1496-0.26960.30190.38680.18810.16240.40050.15481.5792-68.026-5.156816.8989
975.78190.77212.77291.7284-0.7784.83320.59010.27270.0798-0.2540.0245-0.52630.39620.7136-0.31840.31580.10440.17860.2252-0.04860.8668-60.2932-17.697519.4232
981.295-0.10981.10222.25121.63753.4569-0.09110.07341.2005-0.396-0.2409-0.3843-1.08080.1808-0.0620.63660.16620.27970.25140.18231.7532-60.0496-2.329319.3784
995.26952.37120.08351.79240.03712.45250.2898-0.2743-0.11190.1416-0.0931-0.1337-0.36110.3195-0.25460.30280.10650.06640.2270.08761.1009-50.3003-21.565927.6244
1001.4694-1.3529-1.24953.3969-0.34432.06440.5092-0.1341-0.54490.0845-0.4258-1.2033-0.02920.141-0.03190.4390.1256-0.13540.4859-0.00971.4744-39.6723-31.050528.2658
1012.64231.25030.84483.03630.35631.65350.07940.02480.12830.2213-0.3069-0.3488-0.26450.41820.09020.48840.07420.18210.40120.12121.1873-40.6782-13.230725.6203
1021.5872-1.6317-0.17132.27190.56361.4397-0.09780.0884-0.5304-0.119-0.20770.0410.0853-0.00480.14390.39760.23840.00090.16250.02991.4765-53.7147-34.484421.5988
1031.56281.1586-0.9241.457-0.28931.11120.2860.12750.1791-0.22150.1687-0.6676-0.05570.131-0.42160.8020.32050.07080.95480.14992.3571-24.8258-18.121619.3708
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 7 through 32 )A7 - 32
2X-RAY DIFFRACTION2chain 'A' and (resid 33 through 42 )A33 - 42
3X-RAY DIFFRACTION3chain 'A' and (resid 43 through 58 )A43 - 58
4X-RAY DIFFRACTION4chain 'A' and (resid 59 through 81 )A59 - 81
5X-RAY DIFFRACTION5chain 'A' and (resid 82 through 96 )A82 - 96
6X-RAY DIFFRACTION6chain 'A' and (resid 97 through 115 )A97 - 115
7X-RAY DIFFRACTION7chain 'A' and (resid 116 through 142 )A116 - 142
8X-RAY DIFFRACTION8chain 'A' and (resid 143 through 154 )A143 - 154
9X-RAY DIFFRACTION9chain 'A' and (resid 155 through 168 )A155 - 168
10X-RAY DIFFRACTION10chain 'A' and (resid 169 through 190 )A169 - 190
11X-RAY DIFFRACTION11chain 'B' and (resid 1 through 22 )B1 - 22
12X-RAY DIFFRACTION12chain 'B' and (resid 23 through 69 )B23 - 69
13X-RAY DIFFRACTION13chain 'B' and (resid 70 through 133 )B70 - 133
14X-RAY DIFFRACTION14chain 'B' and (resid 134 through 161 )B134 - 161
15X-RAY DIFFRACTION15chain 'B' and (resid 162 through 192 )B162 - 192
16X-RAY DIFFRACTION16chain 'B' and (resid 193 through 207 )B193 - 207
17X-RAY DIFFRACTION17chain 'C' and (resid 6 through 32 )C6 - 32
18X-RAY DIFFRACTION18chain 'C' and (resid 33 through 42 )C33 - 42
19X-RAY DIFFRACTION19chain 'C' and (resid 43 through 69 )C43 - 69
20X-RAY DIFFRACTION20chain 'C' and (resid 70 through 96 )C70 - 96
21X-RAY DIFFRACTION21chain 'C' and (resid 97 through 115 )C97 - 115
22X-RAY DIFFRACTION22chain 'C' and (resid 116 through 133 )C116 - 133
23X-RAY DIFFRACTION23chain 'C' and (resid 134 through 190 )C134 - 190
24X-RAY DIFFRACTION24chain 'D' and (resid 1 through 12 )D1 - 12
25X-RAY DIFFRACTION25chain 'D' and (resid 13 through 69 )D13 - 69
26X-RAY DIFFRACTION26chain 'D' and (resid 70 through 90 )D70 - 90
27X-RAY DIFFRACTION27chain 'D' and (resid 91 through 133 )D91 - 133
28X-RAY DIFFRACTION28chain 'D' and (resid 134 through 161 )D134 - 161
29X-RAY DIFFRACTION29chain 'D' and (resid 162 through 192 )D162 - 192
30X-RAY DIFFRACTION30chain 'D' and (resid 193 through 207 )D193 - 207
31X-RAY DIFFRACTION31chain 'E' and (resid 7 through 32 )E7 - 32
32X-RAY DIFFRACTION32chain 'E' and (resid 33 through 58 )E33 - 58
33X-RAY DIFFRACTION33chain 'E' and (resid 59 through 96 )E59 - 96
34X-RAY DIFFRACTION34chain 'E' and (resid 97 through 115 )E97 - 115
35X-RAY DIFFRACTION35chain 'E' and (resid 116 through 142 )E116 - 142
36X-RAY DIFFRACTION36chain 'E' and (resid 143 through 154 )E143 - 154
37X-RAY DIFFRACTION37chain 'E' and (resid 155 through 168 )E155 - 168
38X-RAY DIFFRACTION38chain 'E' and (resid 169 through 190 )E169 - 190
39X-RAY DIFFRACTION39chain 'F' and (resid 1 through 13 )F1 - 13
40X-RAY DIFFRACTION40chain 'F' and (resid 14 through 69 )F14 - 69
41X-RAY DIFFRACTION41chain 'F' and (resid 70 through 99 )F70 - 99
42X-RAY DIFFRACTION42chain 'F' and (resid 100 through 133 )F100 - 133
43X-RAY DIFFRACTION43chain 'F' and (resid 134 through 157 )F134 - 157
44X-RAY DIFFRACTION44chain 'F' and (resid 158 through 192 )F158 - 192
45X-RAY DIFFRACTION45chain 'F' and (resid 193 through 207 )F193 - 207
46X-RAY DIFFRACTION46chain 'G' and (resid 7 through 32 )G7 - 32
47X-RAY DIFFRACTION47chain 'G' and (resid 33 through 81 )G33 - 81
48X-RAY DIFFRACTION48chain 'G' and (resid 82 through 96 )G82 - 96
49X-RAY DIFFRACTION49chain 'G' and (resid 97 through 115 )G97 - 115
50X-RAY DIFFRACTION50chain 'G' and (resid 116 through 190 )G116 - 190
51X-RAY DIFFRACTION51chain 'H' and (resid 1 through 22 )H1 - 22
52X-RAY DIFFRACTION52chain 'H' and (resid 23 through 69 )H23 - 69
53X-RAY DIFFRACTION53chain 'H' and (resid 70 through 90 )H70 - 90
54X-RAY DIFFRACTION54chain 'H' and (resid 91 through 133 )H91 - 133
55X-RAY DIFFRACTION55chain 'H' and (resid 134 through 161 )H134 - 161
56X-RAY DIFFRACTION56chain 'H' and (resid 162 through 189 )H162 - 189
57X-RAY DIFFRACTION57chain 'H' and (resid 190 through 210 )H190 - 210
58X-RAY DIFFRACTION58chain 'I' and (resid 7 through 58 )I7 - 58
59X-RAY DIFFRACTION59chain 'I' and (resid 59 through 115 )I59 - 115
60X-RAY DIFFRACTION60chain 'I' and (resid 116 through 190 )I116 - 190
61X-RAY DIFFRACTION61chain 'J' and (resid 1 through 22 )J1 - 22
62X-RAY DIFFRACTION62chain 'J' and (resid 23 through 99 )J23 - 99
63X-RAY DIFFRACTION63chain 'J' and (resid 100 through 133 )J100 - 133
64X-RAY DIFFRACTION64chain 'J' and (resid 134 through 161 )J134 - 161
65X-RAY DIFFRACTION65chain 'J' and (resid 162 through 192 )J162 - 192
66X-RAY DIFFRACTION66chain 'J' and (resid 193 through 207 )J193 - 207
67X-RAY DIFFRACTION67chain 'K' and (resid 7 through 32 )K7 - 32
68X-RAY DIFFRACTION68chain 'K' and (resid 33 through 69 )K33 - 69
69X-RAY DIFFRACTION69chain 'K' and (resid 70 through 96 )K70 - 96
70X-RAY DIFFRACTION70chain 'K' and (resid 97 through 115 )K97 - 115
71X-RAY DIFFRACTION71chain 'K' and (resid 116 through 142 )K116 - 142
72X-RAY DIFFRACTION72chain 'K' and (resid 143 through 154 )K143 - 154
73X-RAY DIFFRACTION73chain 'K' and (resid 155 through 168 )K155 - 168
74X-RAY DIFFRACTION74chain 'K' and (resid 169 through 190 )K169 - 190
75X-RAY DIFFRACTION75chain 'L' and (resid 1 through 13 )L1 - 13
76X-RAY DIFFRACTION76chain 'L' and (resid 14 through 69 )L14 - 69
77X-RAY DIFFRACTION77chain 'L' and (resid 70 through 90 )L70 - 90
78X-RAY DIFFRACTION78chain 'L' and (resid 91 through 114 )L91 - 114
79X-RAY DIFFRACTION79chain 'L' and (resid 115 through 133 )L115 - 133
80X-RAY DIFFRACTION80chain 'L' and (resid 134 through 161 )L134 - 161
81X-RAY DIFFRACTION81chain 'L' and (resid 162 through 176 )L162 - 176
82X-RAY DIFFRACTION82chain 'L' and (resid 177 through 189 )L177 - 189
83X-RAY DIFFRACTION83chain 'L' and (resid 190 through 209 )L190 - 209
84X-RAY DIFFRACTION84chain 'M' and (resid 6 through 58 )M6 - 58
85X-RAY DIFFRACTION85chain 'M' and (resid 59 through 115 )M59 - 115
86X-RAY DIFFRACTION86chain 'M' and (resid 116 through 142 )M116 - 142
87X-RAY DIFFRACTION87chain 'M' and (resid 143 through 190 )M143 - 190
88X-RAY DIFFRACTION88chain 'N' and (resid 1 through 69 )N1 - 69
89X-RAY DIFFRACTION89chain 'N' and (resid 70 through 99 )N70 - 99
90X-RAY DIFFRACTION90chain 'N' and (resid 100 through 133 )N100 - 133
91X-RAY DIFFRACTION91chain 'N' and (resid 134 through 157 )N134 - 157
92X-RAY DIFFRACTION92chain 'N' and (resid 158 through 171 )N158 - 171
93X-RAY DIFFRACTION93chain 'N' and (resid 172 through 189 )N172 - 189
94X-RAY DIFFRACTION94chain 'N' and (resid 190 through 212 )N190 - 212
95X-RAY DIFFRACTION95chain 'O' and (resid 7 through 58 )O7 - 58
96X-RAY DIFFRACTION96chain 'O' and (resid 59 through 115 )O59 - 115
97X-RAY DIFFRACTION97chain 'O' and (resid 116 through 133 )O116 - 133
98X-RAY DIFFRACTION98chain 'O' and (resid 134 through 190 )O134 - 190
99X-RAY DIFFRACTION99chain 'P' and (resid 1 through 69 )P1 - 69
100X-RAY DIFFRACTION100chain 'P' and (resid 70 through 114 )P70 - 114
101X-RAY DIFFRACTION101chain 'P' and (resid 115 through 161 )P115 - 161
102X-RAY DIFFRACTION102chain 'P' and (resid 162 through 192 )P162 - 192
103X-RAY DIFFRACTION103chain 'P' and (resid 193 through 207 )P193 - 207

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