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- PDB-7kfv: Structural basis for a germline-biased antibody response to SARS-... -

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Basic information

Entry
Database: PDB / ID: 7kfv
TitleStructural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B12 Fab)
Components
  • Heavy chain of antibody C1A-B12 Fab
  • Spike glycoprotein
  • light chain of antibody C1A-B3 Fab
KeywordsIMMUNE SYSTEM/Viral protein / COVID-19 / SARS-CoV-2 / neutralizing antibody / affinity maturation / IMMUNE SYSTEM / IMMUNE SYSTEM-Viral protein complex
Function / homology
Function and homology information


Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell ...Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell / membrane fusion / Attachment and Entry / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / host cell surface receptor binding / symbiont-mediated suppression of host innate immune response / receptor ligand activity / endocytosis involved in viral entry into host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / identical protein binding / membrane / plasma membrane
Similarity search - Function
Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, betacoronavirus / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus ...Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, betacoronavirus / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Biological speciesSevere acute respiratory syndrome coronavirus 2
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.102 Å
AuthorsPan, J. / Abraham, J. / Clark, L. / Clark, S.
Funding support United States, 1items
OrganizationGrant numberCountry
Other privateno grant number United States
CitationJournal: Biorxiv / Year: 2020
Title: Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Authors: Clark, S.A. / Clark, L.E. / Pan, J. / Coscia, A. / McKay, L.G.A. / Shankar, S. / Johnson, R.I. / Griffiths, A. / Abraham, J.
History
DepositionOct 15, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 2, 2020Provider: repository / Type: Initial release
Revision 1.1Jan 20, 2021Group: Database references / Source and taxonomy / Structure summary
Category: entity / entity_name_com ...entity / entity_name_com / entity_src_gen / struct / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _entity.pdbx_description / _entity_src_gen.gene_src_common_name ..._entity.pdbx_description / _entity_src_gen.gene_src_common_name / _entity_src_gen.pdbx_gene_src_gene / _struct.pdbx_descriptor / _struct_ref.db_code / _struct_ref.pdbx_db_accession / _struct_ref_seq.pdbx_db_accession / _struct_ref_seq_dif.pdbx_seq_db_accession_code
Revision 1.2Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / pdbx_initial_refinement_model
Item: _citation.journal_id_ISSN / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Nov 20, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Spike glycoprotein
B: Spike glycoprotein
C: Heavy chain of antibody C1A-B12 Fab
D: light chain of antibody C1A-B3 Fab
E: Spike glycoprotein
F: Heavy chain of antibody C1A-B12 Fab
G: light chain of antibody C1A-B3 Fab
H: Heavy chain of antibody C1A-B12 Fab
L: light chain of antibody C1A-B3 Fab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)218,19712
Polymers217,5339
Non-polymers6643
Water29,5811642
1
A: Spike glycoprotein
H: Heavy chain of antibody C1A-B12 Fab
L: light chain of antibody C1A-B3 Fab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,7324
Polymers72,5113
Non-polymers2211
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Spike glycoprotein
C: Heavy chain of antibody C1A-B12 Fab
D: light chain of antibody C1A-B3 Fab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,7324
Polymers72,5113
Non-polymers2211
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: Spike glycoprotein
F: Heavy chain of antibody C1A-B12 Fab
G: light chain of antibody C1A-B3 Fab
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,7324
Polymers72,5113
Non-polymers2211
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)84.834, 113.25, 268.878
Angle α, β, γ (deg.)90, 90, 90
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein Spike glycoprotein / S glycoprotein / E2 / Peplomer protein


Mass: 25467.650 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Plasmid: pHLSec / Cell (production host): epithelial / Cell line (production host): HEK-293T / Production host: Homo sapiens (human) / Tissue (production host): embryonic kidney / References: UniProt: P0DTC2
#2: Antibody Heavy chain of antibody C1A-B12 Fab


Mass: 23824.607 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Plasmid: pVRC-8400 / Cell line (production host): HEK-293T / Production host: Homo sapiens (human)
#3: Antibody light chain of antibody C1A-B3 Fab


Mass: 23218.801 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Plasmid: pVRC-8400 / Cell line (production host): HEK-293T / Production host: Homo sapiens (human)
#4: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1642 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN
Has protein modificationY

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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: 58.57 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: protein sample: 13 mg/mL in 150mM NaCl, 25 mM Tris-HCl, pH 7.5 mother liquor composition (equal volume): 0.1 M BICINE pH 8.5, 20% (w/v ) PEG 10000

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.9792 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 25, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 2.1→200 Å / Num. obs: 149225 / % possible obs: 98.9 % / Observed criterion σ(I): -3 / Redundancy: 7.01 % / CC1/2: 0.995 / Rrim(I) all: 0.257 / Χ2: 0.91 / Net I/σ(I): 8.98
Reflection shellResolution: 2.1→2.23 Å / Redundancy: 6.4 % / Mean I/σ(I) obs: 1.35 / Num. unique obs: 44734 / CC1/2: 0.397 / % possible all: 94.7

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Processing

Software
NameVersionClassification
BUSTER2.10.3refinement
PHENIX1.18.2-3874data processing
O15.1.0model building
XDS20200131data reduction
XDS20200131data scaling
PHASER2.8.3phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7BZ5

7bz5


Resolution: 2.102→134.44 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.917 / SU R Cruickshank DPI: 0.172 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.184 / SU Rfree Blow DPI: 0.156 / SU Rfree Cruickshank DPI: 0.151
RfactorNum. reflection% reflectionSelection details
Rfree0.2155 7437 5 %RANDOM
Rwork0.183 ---
obs0.1846 149225 98.7 %-
Displacement parametersBiso mean: 47.61 Å2
Baniso -1Baniso -2Baniso -3
1--4.0863 Å20 Å20 Å2
2--7.5903 Å20 Å2
3----3.504 Å2
Refine analyzeLuzzati coordinate error obs: 0.26 Å
Refinement stepCycle: LAST / Resolution: 2.102→134.44 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14511 0 42 1642 16195
Refine LS restraints
Refine-IDTypeDev idealNumberRestraint functionWeight
X-RAY DIFFRACTIONt_bond_d0.00815270HARMONIC2
X-RAY DIFFRACTIONt_angle_deg0.9720831HARMONIC2
X-RAY DIFFRACTIONt_dihedral_angle_d5093SINUSOIDAL2
X-RAY DIFFRACTIONt_gen_planes2605HARMONIC5
X-RAY DIFFRACTIONt_it15267HARMONIC10
X-RAY DIFFRACTIONt_chiral_improper_torsion1982SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies38HARMONIC1
X-RAY DIFFRACTIONt_ideal_dist_contact13068SEMIHARMONIC4
X-RAY DIFFRACTIONt_omega_torsion3.7
X-RAY DIFFRACTIONt_other_torsion15.58
LS refinement shellResolution: 2.102→2.12 Å
RfactorNum. reflection% reflection
Rfree0.2375 144 -
Rwork0.2408 --
obs--73.35 %
Refinement TLS params.

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

IDL11 (°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)
13.37371.8548-2.91041.187-2.47388.3155-0.16870.2703-0.23310.27030.0373-0.5088-0.2331-0.50880.1314-0.03170.09240.152-0.304-0.0111-0.1183-27.90188.2193101.249
20-1.1021-0.75191.4815-0.9718.3155-0.17040.5442-0.45670.54420.0754-0.3145-0.4567-0.31450.0950.17750.03330.152-0.3040.0058-0.1764-20.245692.46103.357
31.76840.88970.55610.7788-0.42920.029-0.25650.5442-0.10990.54420.28780.127-0.10990.127-0.03130.23850.10670.0956-0.26450.1026-0.2039-17.173879.5035110.433
40-0.0653-0.14545.79532.91045.68230.0750.5010.32860.501-0.1119-0.2580.3286-0.2580.0368-0.02970.00610.0546-0.22510.0431-0.168-15.68968495.5108
50.24060.2366-0.32351.02350.18570.50480.00280.41060.04530.41060.05080.05720.04530.0572-0.05360.00010.04020.0457-0.17870.0106-0.1502-13.075383.147595.2128
60-0.0138-1.83660.4158-0.46151.9442-0.2796-0.0043-0.0923-0.00430.2646-0.3042-0.0923-0.30420.015-0.05550.03830.0166-0.10710.0143-0.1223-19.836986.552182.0096
70-0.3271-1.04411.452.20421.42170.15310.0588-0.37280.05880.02960.134-0.37280.134-0.1827-0.09960.02770.0373-0.1410.0331-0.0992-8.213796.548583.5423
80.5683-1.24320.33153.01120.70470.09630.28790.1646-0.48380.1646-0.2303-0.5247-0.4838-0.5247-0.0577-0.09040.11230.0655-0.05570.063-0.1985-12.14294.538672.4916
90.03541.07140.55243.64292.7843.5156-0.10180.41320.25390.4132-0.05130.03980.25390.03980.1531-0.0376-0.02440.0832-0.17350.0047-0.1497-20.478879.813191.3149
1002.78392.910401.38316.44920.03080.1227-0.08560.12270.16710.5442-0.08560.5442-0.19790.3040.09560.1385-0.3040.0559-0.304-14.87993.078118.055
110.6854-0.65440.53562.53340.36394.0926-0.14750.54420.30430.5442-0.1615-0.24370.3043-0.24370.30910.0252-0.07780.119-0.2078-0.0751-0.243632.7693109.071109.942
1200.0916-0.41930.5520.48651.80130.02820.16860.01130.1686-0.1609-0.07660.0113-0.07660.1327-0.108-0.02590.0199-0.0993-0.0484-0.149634.4148111.56892.8787
130.7018-0.4202-0.07680.37480.81470.71820.01160.04690.03990.0469-0.03630.04660.03990.04660.0247-0.11620.0151-0.0117-0.0908-0.0271-0.126548.8448101.65770.1234
141.73650.24011.55581.4857-0.3522.096-0.1936-0.33770.0185-0.33770.19590.15390.01850.1539-0.0023-0.0497-0.0491-0.04-0.14930.0013-0.168850.440393.000138.0178
150-0.22.26261.76710.34327.6325-0.05550.31860.54420.3186-0.4333-0.48060.5442-0.48060.4888-0.233-0.07120.008-0.0764-0.152-0.089124.585690.160866.0297
1600.32190.3910.85531.39791.8237-0.0052-0.0585-0.0207-0.0585-0.3307-0.1707-0.0207-0.17070.3359-0.18820.0187-0.0318-0.0351-0.131-0.111128.42799.069367.3086
170.62410.0311-0.1710.44571.29681.4269-0.0769-0.1330.1674-0.133-0.0499-0.06830.1674-0.06830.1268-0.1229-0.012-0.0625-0.0777-0.091-0.113826.631587.862348.1048
180.7990.05910.19740.0330.66460.3286-0.0457-0.0751-0.0583-0.07510.03710.0432-0.05830.04320.0086-0.0686-0.0011-0.011-0.0970.0118-0.151245.06679.199137.8707
192.5791-0.8292-0.8420.43160.59290.5064-0.0252-0.1536-0.0224-0.15360.02480.0417-0.02240.04170.0004-0.050.0072-0.0167-0.12440.0047-0.170243.015479.27235.4966
202.29780.4121-0.12962.58582.91042.1994-0.08130.51130.3150.5113-0.1180.28570.3150.28570.1993-0.1169-0.00330.0547-0.2329-0.152-0.099122.780252.561-18.3126
217.5882.91042.910402.91044.054-0.0149-0.54420.4639-0.54420.3436-0.54420.4639-0.5442-0.3287-0.3040.0206-0.152-0.0919-0.152-0.30412.044856.2862-28.5567
220.3682-0.0051-1.54960.50032.91042.904-0.01330.0532-0.18470.0532-0.5089-0.3169-0.1847-0.31690.5222-0.13060.0262-0.0133-0.0853-0.152-0.20123.544565.5668-14.1506
2301.56441.52775.94341.69523.59470.20390.39890.12580.39890.13640.54420.12580.5442-0.3403-0.0734-0.00560.0176-0.0558-0.152-0.204340.104972.7851-2.4299
244.93651.0829-1.943402.91041.7607-0.01340.25970.25890.2597-0.5174-0.35270.2589-0.35270.5308-0.1888-0.06470.0461-0.1462-0.152-0.30416.909762.2272-9.9058
2502.9104-2.91040.74242.91045.50740.0447-0.521-0.0184-0.521-0.12830.4363-0.01840.43630.0836-0.304-0.1520.03180.1875-0.152-0.30421.724551.4334-38.0503
262.6486-1.309-0.58020.67081.50321.00430.1186-0.5268-0.4961-0.52680.13130.3994-0.49610.3994-0.24990.0873-0.08340.1002-0.20070.0031-0.274730.786294.9786-3.9514
270.5043-0.3482-0.04272.03660.462800.0893-0.3194-0.5442-0.3194-0.0437-0.0832-0.5442-0.0832-0.04560.04990.04350.0286-0.1142-0.0166-0.241222.16988.1183-3.5743
280-1.7696-0.53221.81370.63412.22350.1192-0.5442-0.5442-0.5442-0.0416-0.1279-0.5442-0.1279-0.07770.0639-0.01420.1319-0.1387-0.0019-0.294626.174592.6104-10.2333
290.6158-0.5451-0.58180.68331.25941.28960.1086-0.2649-0.3351-0.26490.05090.1135-0.33510.1135-0.15960.0618-0.00520.0523-0.14170.004-0.262223.009893.70340.5784
300.6345-0.99731.69654.43840.16820-0.15680.54420.08480.54420.3263-0.54420.0848-0.5442-0.16950.180.0801-0.0138-0.304-0.0819-0.200410.6201120.29128.8934
310.8034-0.78070.67892.54351.48432.4470.016-0.2165-0.2365-0.2165-0.02870.131-0.23650.1310.01270.0253-0.04040.0044-0.2644-0.0163-0.154219.0122115.47519.319
320.0074-0.92471.08832.67350.07132.10280.0881-0.03730.1301-0.0373-0.1448-0.17530.1301-0.17530.0567-0.0382-0.0117-0.0273-0.2255-0.0281-0.116916.8495112.51323.5817
330-0.26832.91045.16122.91043.6379-0.1579-0.085-0.0955-0.085-0.0630.327-0.09550.3270.2209-0.0657-0.09090.0083-0.24980.0153-0.073223.4746120.48721.4591
340-1.40021.85615.78062.91040-0.2814-0.1786-0.4531-0.17860.2628-0.093-0.4531-0.0930.01860.1002-0.1084-0.0721-0.304-0.0542-0.030818.2406124.94623.425
352.57920.99591.0510.57290.74933.20350.00030.0311-0.0580.0311-0.1007-0.2862-0.058-0.28620.1005-0.04290.0175-0.0656-0.1687-0.0295-0.157415.515581.242918.6149
360.1167-0.349-0.2140.68440.36232.30730.00820.06260.03330.06260.0334-0.00870.0333-0.0087-0.0416-0.0415-0.0002-0.0149-0.1291-0.0454-0.189724.048578.780411.9699
370.279-0.02080.14450.43920.92752.82690.00380.0616-0.04210.0616-0.0019-0.0965-0.0421-0.0965-0.0018-0.03760.0051-0.0196-0.1293-0.0289-0.184421.136279.718513.7412
380-1.33420.20334.0718-0.1370.9486-0.16660.2787-0.05330.27870.08150.2335-0.05330.23350.08510.0161-0.00230.0053-0.168-0.0305-0.205716.167791.902930.1855
3900.8173-0.49810.70282.21841.4866-0.06340.2038-0.54420.20380.0703-0.2901-0.5442-0.2901-0.007-0.00110.0359-0.077-0.304-0.0733-0.05646.3955119.93224.1639
401.4259-0.5596-0.22820.55920.35130-0.04110.08950.0440.0895-0.0985-0.10580.044-0.10580.13970.01240.015-0.0341-0.1813-0.0835-0.16853.8762105.26826.1313
413.9784-2.91041.27712.701-1.16130.27950.1125-0.10870.1875-0.1087-0.2426-0.09280.1875-0.09280.13010.00760.0082-0.0317-0.2047-0.0327-0.148314.1576101.56824.5853
422.0561-1.10151.07035.2953-0.53970.75050.0546-0.1401-0.0134-0.1401-0.28680.1089-0.01340.10890.2322-0.07610.019-0.0708-0.2003-0.1188-0.1266-1.1428113.55223.2059
433.6185-2.91042.53415.5521-1.76061.6865-0.27630.5442-0.26970.54420.00840.0395-0.26970.03950.2679-0.02340.03220.0617-0.1809-0.1054-0.1941-0.0795110.59733.4557
440.0654-1.3218-0.91742.48380.41711.36710.05410.0145-0.02820.01450.00230.1284-0.02820.1284-0.0565-0.18580.0168-0.029-0.0767-0.0142-0.07398.139680.974669.5143
450.7553-0.8934-0.77590.90630.45750.6194-0.09260.11970.09110.11970.03820.08220.09110.08220.0543-0.14690.0434-0.0212-0.0754-0.0227-0.11583.89875.351572.6145
460.9006-0.40480.32451.6783-1.13133.24690.0015-0.33530.4284-0.3353-0.00810.05240.42840.05240.00660.0115-0.00620.0155-0.181-0.0198-0.139814.796265.972736.79
471.0701-0.61190.80681.0953-1.58091.8684-0.1808-0.0308-0.0201-0.0308-0.0092-0.087-0.0201-0.0870.19-0.05820.0215-0.013-0.1737-0.0212-0.132614.764169.999743.4542
480-0.1417-1.01191.9199-1.20375.2111-0.1090.17760.45060.1776-0.3263-0.29040.4506-0.29040.4352-0.2038-0.0267-0.018-0.1751-0.09690.0184-17.480365.56461.4939
490.1536-0.4463-0.26150.60010.30681.76520.02910.0596-0.01360.0596-0.09620.0144-0.01360.01440.0672-0.16470.022-0.0076-0.0794-0.0641-0.0958-13.930574.53663.6264
500-0.1239-2.2021.8982.91048.3155-0.08050.02850.28560.0285-0.129-0.09080.2856-0.09080.2095-0.1260.0316-0.0947-0.0756-0.0949-0.1363-10.747463.011144.7189
511.1049-0.40930.26420.69020.35050.7495-0.0118-0.2669-0.0268-0.26690.0013-0.0754-0.0268-0.07540.0105-0.0507-0.00460.0362-0.1653-0.0177-0.13869.705856.767538.6803
522.3251-2.40360.06373.25972.45370.70970.0077-0.16190.0741-0.16190.0111-0.26290.0741-0.2629-0.0188-0.0034-0.05090.0378-0.1598-0.0001-0.149410.13548.405642.029
533.748-1.8004-0.45531.35060.20810.3961-0.0424-0.16360.0734-0.16360.0233-0.05180.0734-0.05180.0191-0.0430.00220.0387-0.2-0.0201-0.14558.525654.858436.595
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ A|334 - A|349 }A334 - 349
2X-RAY DIFFRACTION2{ A|350 - A|364 }A350 - 364
3X-RAY DIFFRACTION3{ A|365 - A|393 }A365 - 393
4X-RAY DIFFRACTION4{ A|394 - A|409 }A394 - 409
5X-RAY DIFFRACTION5{ A|410 - A|442 }A410 - 442
6X-RAY DIFFRACTION6{ A|443 - A|459 }A443 - 459
7X-RAY DIFFRACTION7{ A|460 - A|479 }A460 - 479
8X-RAY DIFFRACTION8{ A|480 - A|494 }A480 - 494
9X-RAY DIFFRACTION9{ A|495 - A|516 }A495 - 516
10X-RAY DIFFRACTION10{ A|517 - A|528 }A517 - 528
11X-RAY DIFFRACTION11{ B|334 - B|393 }B334 - 393
12X-RAY DIFFRACTION12{ B|394 - B|528 }B394 - 528
13X-RAY DIFFRACTION13{ C|1 - C|119 }C1 - 119
14X-RAY DIFFRACTION14{ C|120 - C|218 }C120 - 218
15X-RAY DIFFRACTION15{ D|1 - D|25 }D1 - 25
16X-RAY DIFFRACTION16{ D|26 - D|101 }D26 - 101
17X-RAY DIFFRACTION17{ D|102 - D|113 }D102 - 113
18X-RAY DIFFRACTION18{ D|114 - D|163 }D114 - 163
19X-RAY DIFFRACTION19{ D|164 - D|214 }D164 - 214
20X-RAY DIFFRACTION20{ E|334 - E|358 }E334 - 358
21X-RAY DIFFRACTION21{ E|359 - E|393 }E359 - 393
22X-RAY DIFFRACTION22{ E|394 - E|469 }E394 - 469
23X-RAY DIFFRACTION23{ E|470 - E|494 }E470 - 494
24X-RAY DIFFRACTION24{ E|495 - E|516 }E495 - 516
25X-RAY DIFFRACTION25{ E|517 - E|528 }E517 - 528
26X-RAY DIFFRACTION26{ F|1 - F|33 }F1 - 33
27X-RAY DIFFRACTION27{ F|34 - F|59 }F34 - 59
28X-RAY DIFFRACTION28{ F|60 - F|82 }F60 - 82
29X-RAY DIFFRACTION30{ F|120 - F|134 }F120 - 134
30X-RAY DIFFRACTION31{ F|135 - F|157 }F135 - 157
31X-RAY DIFFRACTION32{ F|158 - F|190 }F158 - 190
32X-RAY DIFFRACTION33{ F|191 - F|203 }F191 - 203
33X-RAY DIFFRACTION34{ F|204 - F|215 }F204 - 215
34X-RAY DIFFRACTION35{ G|1 - G|18 }G1 - 18
35X-RAY DIFFRACTION36{ G|19 - G|61 }G19 - 61
36X-RAY DIFFRACTION37{ G|62 - G|101 }G62 - 101
37X-RAY DIFFRACTION38{ G|102 - G|113 }G102 - 113
38X-RAY DIFFRACTION39{ G|114 - G|128 }G114 - 128
39X-RAY DIFFRACTION40{ G|129 - G|155 }G129 - 155
40X-RAY DIFFRACTION41{ G|156 - G|174 }G156 - 174
41X-RAY DIFFRACTION42{ G|175 - G|198 }G175 - 198
42X-RAY DIFFRACTION43{ G|199 - G|214 }G199 - 214
43X-RAY DIFFRACTION44{ H|1 - H|33 }H1 - 33
44X-RAY DIFFRACTION45{ H|34 - H|119 }H34 - 119
45X-RAY DIFFRACTION46{ H|120 - H|145 }H120 - 145
46X-RAY DIFFRACTION47{ H|146 - H|218 }H146 - 218
47X-RAY DIFFRACTION48{ L|1 - L|25 }L1 - 25
48X-RAY DIFFRACTION49{ L|26 - L|101 }L26 - 101
49X-RAY DIFFRACTION50{ L|102 - L|113 }L102 - 113
50X-RAY DIFFRACTION51{ L|114 - L|150 }L114 - 150
51X-RAY DIFFRACTION52{ L|151 - L|163 }L151 - 163
52X-RAY DIFFRACTION53{ L|164 - L|214 }L164 - 214

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