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- PDB-8uwa: VH1-18 QxxV class antibody 09-1B12 bound to A/Perth/16/2009 H3N2 ... -

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Basic information

Entry
Database: PDB / ID: 8uwa
TitleVH1-18 QxxV class antibody 09-1B12 bound to A/Perth/16/2009 H3N2 hemagglutinin
Components
  • 09-1B12 heavy chain
  • 09-1B12 light chain
  • Hemagglutinin
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / antibody / stem / influenza / hemagglutinin / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / apical plasma membrane / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane
Similarity search - Function
Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein
Similarity search - Domain/homology
Biological speciesHomo sapiens (human)
Influenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4.02 Å
AuthorsMaurer, D.P.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) United States
CitationJournal: Immunity / Year: 2024
Title: Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Authors: Rashmi Ray / Faez Amokrane Nait Mohamed / Daniel P Maurer / Jiachen Huang / Berk A Alpay / Larance Ronsard / Zhenfei Xie / Julianna Han / Monica Fernandez-Quintero / Quynh Anh Phan / Rebecca ...Authors: Rashmi Ray / Faez Amokrane Nait Mohamed / Daniel P Maurer / Jiachen Huang / Berk A Alpay / Larance Ronsard / Zhenfei Xie / Julianna Han / Monica Fernandez-Quintero / Quynh Anh Phan / Rebecca L Ursin / Mya Vu / Kathrin H Kirsch / Thavaleak Prum / Victoria C Rosado / Thalia Bracamonte-Moreno / Vintus Okonkwo / Julia Bals / Caitlin McCarthy / Usha Nair / Masaru Kanekiyo / Andrew B Ward / Aaron G Schmidt / Facundo D Batista / Daniel Lingwood /
Abstract: Broadly neutralizing antibodies (bnAbs) targeting the hemagglutinin (HA) stem of influenza A viruses (IAVs) tend to be effective against either group 1 or group 2 viral diversity. In rarer cases, ...Broadly neutralizing antibodies (bnAbs) targeting the hemagglutinin (HA) stem of influenza A viruses (IAVs) tend to be effective against either group 1 or group 2 viral diversity. In rarer cases, intergroup protective bnAbs can be generated by human antibody paratopes that accommodate the conserved glycan differences between the group 1 and group 2 stems. We applied germline-engaging nanoparticle immunogens to elicit a class of cross-group bnAbs from physiological precursor frequency within a humanized mouse model. Cross-group protection depended on the presence of the human bnAb precursors within the B cell repertoire, and the vaccine-expanded antibodies enriched for an N55T substitution in the CDRH2 loop, a hallmark of the bnAb class. Structurally, this single mutation introduced a flexible fulcrum to accommodate glycosylation differences and could alone enable cross-group protection. Thus, broad IAV immunity can be expanded from the germline repertoire via minimal antigenic input and an exceptionally simple antibody development pathway.
History
DepositionNov 6, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 8, 2024Provider: repository / Type: Initial release
Revision 1.1May 22, 2024Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
D: 09-1B12 light chain
E: 09-1B12 light chain
G: 09-1B12 light chain
A: Hemagglutinin
B: Hemagglutinin
C: Hemagglutinin
F: 09-1B12 heavy chain
H: 09-1B12 heavy chain
U: 09-1B12 heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)338,42837
Polymers321,5649
Non-polymers16,86428
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area50960 Å2
ΔGint131 kcal/mol
Surface area125050 Å2
MethodPISA
Unit cell
Length a, b, c (Å)158.040, 158.040, 417.206
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Space group name HallP312"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+1/3
#3: -x+y,-x,z+2/3
#4: x-y,-y,-z+2/3
#5: -x,-x+y,-z+1/3
#6: y,x,-z

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Components

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Protein , 1 types, 3 molecules ABC

#2: Protein Hemagglutinin /


Mass: 57695.562 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (A/Perth/16/2009(H3N2))
Strain: Influenza A virus (A/Perth/16/2009(H3N2)) / Gene: HA / Production host: Homo sapiens (human) / References: UniProt: C6KNH7

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Antibody , 2 types, 6 molecules DEGFHU

#1: Antibody 09-1B12 light chain


Mass: 23881.535 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Antibody 09-1B12 heavy chain


Mass: 25610.791 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Sugars , 8 types, 28 molecules

#4: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#5: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1235.105 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpa1-6[DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-e1_e3-f1_e6-g1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#6: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#7: Polysaccharide
alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3/a4-b1_b4-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#8: Polysaccharide alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#9: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#10: Polysaccharide alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D- ...alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1072.964 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpa1-6[DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3/a4-b1_b4-c1_c3-d1_c6-e1_e3-f1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#11: 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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 9 / 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

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Details

Has ligand of interestN

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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: 4.68 Å3/Da / Density % sol: 73.7 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop
Details: 15% v/v 2-propanol, 0.1 M sodium citrate tribasic dihydrate, pH 5.0, 10% w/v PEG10000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 14, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 4.02→50.21 Å / Num. obs: 51070 / % possible obs: 99.69 % / Redundancy: 20.5 % / Biso Wilson estimate: 106.79 Å2 / CC1/2: 0.995 / Net I/σ(I): 7
Reflection shellResolution: 4.021→4.164 Å / Num. unique obs: 4940 / CC1/2: 0.654 / CC star: 0.889

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entries 5KVN & 5K9Q

5kvn

5k9q


Resolution: 4.02→50.21 Å / SU ML: 0.4841 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.5167
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2544 2003 3.92 %
Rwork0.2297 49046 -
obs0.2307 51049 99.77 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 113.41 Å2
Refinement stepCycle: LAST / Resolution: 4.02→50.21 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21861 0 1120 0 22981
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004623454
X-RAY DIFFRACTIONf_angle_d0.721231836
X-RAY DIFFRACTIONf_chiral_restr0.06323797
X-RAY DIFFRACTIONf_plane_restr0.00583991
X-RAY DIFFRACTIONf_dihedral_angle_d13.52583756
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
4.02-4.120.37291360.30093329X-RAY DIFFRACTION97.33
4.12-4.230.29611420.28063460X-RAY DIFFRACTION99.94
4.23-4.360.2761390.25183472X-RAY DIFFRACTION100
4.36-4.50.26761420.24553481X-RAY DIFFRACTION100
4.5-4.660.22441380.23273458X-RAY DIFFRACTION100
4.66-4.840.27351430.22473469X-RAY DIFFRACTION100
4.84-5.060.30011420.22143478X-RAY DIFFRACTION100
5.06-5.330.21881450.21633469X-RAY DIFFRACTION99.97
5.33-5.670.26521390.22953531X-RAY DIFFRACTION100
5.67-6.10.28081440.2373508X-RAY DIFFRACTION100
6.1-6.710.25061440.25153510X-RAY DIFFRACTION100
6.71-7.680.28311470.2313547X-RAY DIFFRACTION100
7.69-9.670.20021470.1913582X-RAY DIFFRACTION99.97
9.67-50.210.22011550.21033752X-RAY DIFFRACTION99.54
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)
11.420737103860.1551610325380.5983785329610.1358804737610.3122618783220.5004157489180.2496566426920.1121671218390.01092888686730.027593411823-0.6381594063630.3195458176560.689985009559-0.07108752922580.0002134877291031.08542052348-0.0472788279257-0.05563778172930.9005810450140.05941696922650.91350805078451.684-71.486-28.528
20.795055722384-0.618716986060.1670054994980.9044441740880.4686514350010.754497883735-0.002931126845240.06480752379790.362452049323-0.3074496144630.09433577887940.0863320325776-0.485659265255-0.2215054863220.0001612392758080.7370371694310.0387435755911-0.225624476920.9876272183290.1269547648141.0316936066955.501-62.826-24.993
31.4580016495-0.659763583403-0.7974882558870.1055699888560.04063387159071.505770247470.04349112110910.3988463487750.149523961403-0.00518257986694-0.180317616817-0.013809270398-0.290565959734-0.257627175885-0.000161187855880.7705056996870.015102082264-0.03491531669840.696706338543-0.0335878011381.0436711658864.635-73.521-24.819
42.283988476130.454008756255-0.2551576844521.447780592160.8431225704662.48688692478-0.319488047556-0.0571273768569-0.267671360609-0.1502620283230.1442637059570.01335145451110.4295327495740.3076646787656.40210796871E-61.01896546553-0.01222839685880.01866036174530.9346151759-0.02721623455690.88369087774682.588-92.312-24.199
50.7248734795690.988438976799-0.3430230819361.34297549383-0.7023043706370.6695966134710.009947779913510.96189151198-0.115555167065-0.671551917155-0.347655564212-0.0177195575394-0.0629602517663-0.4350597962880.000847810531031.202694302940.022727946067-0.02952942648281.363573761540.07378939255010.997386175951-4.878-90.021-33.176
60.7755718146060.395158981161-0.2042203259380.108397353223-0.06546223504070.9866021106790.2340290163320.706004989544-0.0290170121001-0.6979564999250.1203243045390.235324395124-0.2095292028610.4819823711990.004370013015251.1477590043-0.05241604430130.2325683320121.006858791720.3177051712211.11338662461.146-96.64-31.052
71.143660040310.408451906513-0.3571223332350.37329000914-0.5330840540450.8299027038770.7574537502650.376448815777-0.339220010079-0.264941152055-0.546500316185-1.02191977091-0.278137332335-0.5795473883930.001380883722581.07773183057-0.10008052539-0.04416891851740.971171498603-0.002505255679891.13253721208-4-96.453-30.086
80.5026962656410.5710529127560.1132794591560.467507162470.04775373339110.00704292987425-0.261106679597-0.494812207162-1.4307376881-0.6576651151070.0836374620727-1.14606925408-0.614637507135-0.8239760459320.0005795647480790.975558261916-0.1063081046410.0943700220661.09069656540.02420689314361.15397814924-12.718-97.085-33.539
90.9351516845640.01511697242680.6784367246840.5056915474250.1334809606720.324087605770.3374625090611.120698143920.279228071353-0.269098152811-0.09405009601610.00303970954491-0.294450174992-1.15821740007-0.0002411119029351.15638813159-0.0605755160954-0.02189584706011.506070742710.07796215674671.04005924975-38.248-106.969-35.272
100.593614530584-0.891674648438-0.7373640789871.198939387350.7069164162820.997261762599-0.07247354799770.145886884080.315876281035-0.112537580432-0.579924493871-0.815843218379-0.4007836318640.07956770889050.0003426903917631.03355898358-0.09110320721090.1003416008291.123185327580.04680644776061.203699616827.045-29.913-30.757
110.585128481140.6506309287090.1798363280521.124418703090.6345046719940.426839748050.5530666711271.238577762070.131031669521-0.077771818323-0.28244040645-0.1881308099390.7818732570620.140150925677-0.0004902064538741.076323439260.2558614537910.06309332088451.02645508873-0.09750445654241.12176570551-1.788-32.098-29.916
120.5701573723840.505542780756-0.1098766695561.516045876630.9794615233070.9722916434960.2130079367670.758928846464-0.5830618563020.0124009218368-0.2731450142120.572889410223-0.2253824225840.281876257589-0.0003322519756930.9305391411420.137534928670.1787748991530.609452269530.06627054878951.107741807362.482-29.116-25.559
130.155643962001-0.208788235715-0.01296466231560.2233458445070.02328268137480.08980592725730.09000517841660.0453938402341-0.100777560963-0.35917756249-0.672470430203-0.58941533239-0.657360529650.3053063030710.000394499358351.20949717242-0.0158218779272-0.1609299592590.9913394288570.0549049250451.377281952643.489-5.701-32.774
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162.285294109240.916237053975-0.2150084858271.6002711619-0.7601308158293.266390926240.01130776566560.145150672433-0.0296807868473-0.196370586288-0.0917917097032-0.01776911014330.0195551435230.03969569265638.91169603729E-60.8841714559680.0263579935445-0.0159247252240.8549077710160.05199617714810.9973347083527.675-47.354-71.333
172.07106642258-0.4837960195880.6420181424340.1991333455570.1480626968840.7610979614710.161848036701-0.194894516052-0.02501940168320.233066096049-0.1032532585040.1002432920750.04797599676950.4373380396540.0002736077490861.114081923390.0101521763245-0.1183323138410.837810078578-0.06342171136641.077657958920.148-60.967-22.244
180.337757522598-0.189922059512-0.2276437577080.09691224735690.1283505868910.103524839958-1.341149583540.1801113816230.5465992688690.0804093831732-0.3831436803840.752923551585-1.26062992148-0.387696052692-0.0006952259937941.42764458181-0.015197527099-0.08510332629191.318700084860.1044851815111.27188346041-7.125-56.4065.637
190.824712275948-0.483775663424-1.205712430870.110827137559-0.08889257088591.04734178958-0.143458672158-0.0879086677909-0.1047308945120.2293998366760.06698740077720.1413789657830.0110481823147-0.3190181031212.14532441049E-51.08183948257-0.05299493694610.1003122151420.9435500616480.03210345462490.9634600815737.066-58.418-9.493
200.9323429652580.4564409365140.5506350151171.28828695895-0.02867594588760.644528419247-0.169093137781-0.082640730363-0.302673729850.2865605192-0.526878923728-0.3454796738330.379711745275-0.5878092161070.000465670085691.029124035080.162034102385-0.04235729244791.29464416130.1012529530981.0109612988525.33-80.651-9.72
211.140424193290.09414266933310.7325452439750.649338517246-0.2517619757563.448848788640.05254231715450.0836126715464-0.179551747961-0.214319108401-0.1720764719850.02740770674470.526194907460.02588711360271.55446982262E-51.074276727820.08138641057730.09565224170360.884563691506-0.03862585418451.0969803553916.716-82.148-66.242
220.189373089451-0.335532540975-0.07667009671230.5672084869830.2037006611010.05838325471350.27668936609-0.7965620159870.3035714089950.493728846136-0.07771578117360.817698895517-0.158581859856-0.0234183013837-0.00010544552711.38996575751-0.05623241494150.1152628366471.51939741077-0.05763688960041.3864532091526.351-80.3242.224
230.0539830743930.02166098346650.1016261040230.237075763949-0.1313490695330.165208913643-0.8881904994570.0755592832067-1.18317365470.254226799085-0.485030529717-0.3046912887510.665074224620.2321217781770.001002619325291.220595374980.191291128354-0.202139178681.395220614680.1162435010521.4675896113218.645-87.5687.36
24-0.1680030752620.06870711119040.9810495671640.534023715874-0.5052370533231.576333686750.0476471876983-0.161334261593-0.03911379215380.2216463145510.0049613446318-0.08699575272430.48324921854-0.423253660655-4.70853286597E-51.087723363540.002106159502150.01904490317251.018719051730.06320332731681.0143010418216.204-74.684-9.721
251.485578916721.49943015650.215268136691.40712764711-0.1427001440460.39552163383-0.422559197599-0.6817583697590.3413825010860.4117762651520.1837819435010.378274683821-0.9681239091320.577515191597-0.0002077745664131.140187836550.2650829920730.06455979077691.18391257941-0.01859578427530.99599130275924.808-48.03-4.233
261.62725948970.746280979155-0.3872020784161.595782355631.080289318274.20991363026-0.0420594085860.02134851602080.1466288781750.005944400987040.0344738588504-0.08642777901270.4275666827480.377092710874-7.14071950127E-50.9170702147330.0980117966060.02629327344031.244400039970.1256721132181.0581171869841.737-57.132-66.798
271.664806641250.3484727432270.06295677460260.362251033482-0.3967547801710.730704377284-0.1331378790480.3340834786180.1492561176460.00109908668140.1068170043710.0895493395699-0.4405852238080.0664146453652-0.000207337566511.10766774721-0.113328438499-0.03401859352561.204480662770.04742801818841.0645132509529.311-49.904-22.116
280.2131074334830.210723309196-0.09270050575320.4509146043260.2429446710550.302477553571-0.1134399466940.195666109991.208690879440.339246238648-0.6509352896240.563183144208-0.519381992272-0.2432088301760.001468605266491.571148667840.01734914577540.07762089907511.45095051822-0.01500323276351.5311758231730.441-49.1118.624
290.809375951168-0.0181625064614-0.4885404642010.1996381712241.366276530971.74780425617-0.0754513818689-0.3199633094010.1432228887570.1027260289540.02228396890130.07903372159610.3716765519380.04830696040890.000143917836370.933816749537-0.0237910769603-0.03383733054370.938614907813-0.03544663922941.0592959969325.737-58.831-7.766
301.981670330481.428107612790.03732213632191.173188552560.0418603162511.719551521120.0614774712744-0.25485379578-0.1412208694230.558119758698-0.0294363004622-0.120988435303-0.166236821436-0.0312109335114.46726253838E-50.989351628537-0.08565997872550.04147864409081.018151310510.05588049829581.08728818389-7.807-94.098-8.002
311.24052119471-0.0955956467436-0.5772429927161.63280131114-0.7724269466760.7304102078980.06767400695150.1211140222190.135478976244-0.500751450026-0.1357614007830.413359935972-0.00689703539515-0.323586952701-0.7092082505281.032859299370.0473573388465-0.02231566402331.04738076094-0.02624047155730.852873298253-23.135-108.598-21.294
320.1422146810450.261636191848-0.1937498603430.25727647548-0.2983979704380.3573923923830.1333855692940.525597139879-0.5843348258050.3405218716370.4095537470030.8846427515730.720024739801-0.416732112601-0.001400349110981.47918663824-0.212305112342-0.01526627311541.31932632390.1440378113231.0847841832-36.732-121.35-19.803
330.368764095166-0.7698278412860.1165016771141.56632080297-0.2107866838190.449464792615-0.450189507337-0.8348177201890.7972223626050.23299912022-0.2071127622881.367247998670.188242315521-0.384868808895-0.0005393655070840.954802701671-0.02014285469080.1121228344640.850243097612-0.02341222407231.29632969036-2.03-25.627-6.173
340.928787694148-0.3718975709970.6579038295560.61334671112-0.1546776122810.4001248788880.0327747862406-0.211542930114-0.2818152674830.634871082426-0.432625742679-0.2143901946860.3460967391170.5062171771830.0005836168786191.170547519530.02857304470820.04362096357920.889538586719-0.0224940959181.143154297285.561-30.281-4.955
350.593719408865-0.5177450074270.4214845378660.796407549209-0.2306552590980.33544280382-0.2829355817840.2119961355110.3670498556871.031206275630.1754712664660.5372823585640.6391515783741.203758939810.0003824675452861.006770537050.2035504838950.1775624982590.9896253044710.0698814143510.9603223242651.268-30.952-12.607
361.962520054290.787883729586-0.15898968651.285031211750.4014752837180.537399550886-0.2158388727470.8544255098010.447531154153-0.756121444866-0.343181314133-0.377200235225-0.2635620914230.4256681785490.006179595001381.026764112030.0524112185737-0.04231614959180.7869481077080.04603869544081.146538715330.5075.829-18.663
370.247163201125-0.29847723229-0.4223709852690.744560031040.9838779470891.10139962771-0.2301848664780.3838866231780.216630055995-0.01616549822620.2897655165430.000622148927219-0.3468707951520.008090452493070.000218353364471.07864876934-0.0122979061758-0.1956452542430.9102284464390.1203736309191.08683911585-3.1292.97-19.97
380.2946610094440.3785956747050.09309397452370.311949565158-0.002385919588340.0752105839938-0.0306296334508-0.02813079038580.217430339574-0.06942291562580.753962659189-0.2690451178640.710981551107-0.903164132719-0.0005710412061371.3439342501-0.03006760283540.08361544977890.972350572606-0.01194897046471.34480345796-8.67.339-13.446
390.232187218388-0.2065879569160.1020445888670.170713982799-0.03989792544370.0800906844645-0.501602738906-1.4022286829-0.222966637561-0.2934660696370.388777279229-0.100021781179-1.15124821649-0.812922252307-0.002061580669351.517447133980.152621267922-0.2594454139121.35470484672-0.08220004512511.38404224941-3.92928.855-20.647
401.807164927920.393125102451-0.1424809941320.7903912165180.2453792113410.46612512276-0.0361628762451-0.1058792343590.744996455190.243868994843-0.00819368096504-1.131517641970.294281655676-0.420363043885-0.0006300398708120.9151084934410.0563731752662-0.02344629963331.108226461930.04440356209661.0380150300758.208-67.225-1.82
411.01335920723-0.360696633006-0.06898472954930.428722216279-0.7014174480431.42843841483-0.334856690573-0.07806875793560.3499548676240.53809493809-0.0393794994691-0.4045861943480.27539222446-0.2614326487420.0004695843958390.8336117098880.0323867359504-0.03045087375451.05569579722-0.02798179828641.0227774443450.403-71.634-1.873
421.72013452106-0.4125444113430.30079437678-0.1925998702620.1429642759451.11007594808-0.222848121973-0.772525126663-0.194961418310.465360759840.3321224414310.1920313336180.238373961017-0.446225870897-6.36216520074E-50.911136139416-0.203556537712-0.05036135581411.077813869220.004362008009160.95693833899160.066-71.942-7.373
430.3665259840050.2372886900850.103862945820.9091982183450.1073286093930.0831274507352-0.1933531466131.01683831359-0.384899287029-1.205430303660.4004270856730.03913572122360.697112371511-0.000894728649465-0.0005486929171.329366722150.120574072936-0.03953644623271.1900586395-0.02165287616970.79262217729793.327-85.694-22.986
441.140625566-1.10852387858-0.2664261634330.9418536102420.09868203646171.48937384746-0.0941265409017-0.271692695895-0.157339292746-0.1377798987590.0210151314984-0.531583281080.1424760721980.191415512614-0.0002338513516380.745412772043-0.05852461626760.02765677955540.8658186566470.1088878283870.88863548329486.412-79.551-13.674
450.6327635975930.617764902272-0.06780546705860.86258712241-0.5830819603890.8366758319290.4945443010390.8697358583530.109519383597-0.164135707603-0.381203825094-0.310346016945-0.4063318974010.5470274643140.0003281602603891.057019636820.236730299951-0.1189399705111.08356974631-0.01583397596051.2063951046293.159-82.64-7.981
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN D AND RESID 1:35 )D1 - 35
2X-RAY DIFFRACTION2( CHAIN D AND RESID 36:76 )D36 - 76
3X-RAY DIFFRACTION3( CHAIN D AND RESID 77:123 )D77 - 123
4X-RAY DIFFRACTION4( CHAIN D AND RESID 124:216 )D124 - 216
5X-RAY DIFFRACTION5( CHAIN E AND RESID 1:39 )E1 - 39
6X-RAY DIFFRACTION6( CHAIN E AND RESID 40:76 )E40 - 76
7X-RAY DIFFRACTION7( CHAIN E AND RESID 77:95 )E77 - 95
8X-RAY DIFFRACTION8( CHAIN E AND RESID 96:115 )E96 - 115
9X-RAY DIFFRACTION9( CHAIN E AND RESID 116:216 )E116 - 216
10X-RAY DIFFRACTION10( CHAIN G AND RESID 1:39 )G1 - 39
11X-RAY DIFFRACTION11( CHAIN G AND RESID 40:76 )G40 - 76
12X-RAY DIFFRACTION12( CHAIN G AND RESID 77:99 )G77 - 99
13X-RAY DIFFRACTION13( CHAIN G AND RESID 100:123 )G100 - 123
14X-RAY DIFFRACTION14( CHAIN G AND RESID 124:216 )G124 - 216
15X-RAY DIFFRACTION15( CHAIN A AND RESID 8:57 )A8 - 57
16X-RAY DIFFRACTION16( CHAIN A AND RESID 58:285 )A58 - 285
17X-RAY DIFFRACTION17( CHAIN A AND RESID 286:342 )A286 - 342
18X-RAY DIFFRACTION18( CHAIN A AND RESID 343:366 )A343 - 366
19X-RAY DIFFRACTION19( CHAIN A AND RESID 367:501 )A367 - 501
20X-RAY DIFFRACTION20( CHAIN B AND RESID 8:49 )B8 - 49
21X-RAY DIFFRACTION21( CHAIN B AND RESID 50:317 )B50 - 317
22X-RAY DIFFRACTION22( CHAIN B AND RESID 318:343 )B318 - 343
23X-RAY DIFFRACTION23( CHAIN B AND RESID 344:366 )B344 - 366
24X-RAY DIFFRACTION24( CHAIN B AND RESID 367:499 )B367 - 499
25X-RAY DIFFRACTION25( CHAIN C AND RESID 8:41 )C8 - 41
26X-RAY DIFFRACTION26( CHAIN C AND RESID 42:284 )C42 - 284
27X-RAY DIFFRACTION27( CHAIN C AND RESID 285:336 )C285 - 336
28X-RAY DIFFRACTION28( CHAIN C AND RESID 337:366 )C337 - 366
29X-RAY DIFFRACTION29( CHAIN C AND RESID 367:501 )C367 - 501
30X-RAY DIFFRACTION30( CHAIN F AND RESID 1:83 )F1 - 83
31X-RAY DIFFRACTION31( CHAIN F AND RESID 84:214 )F84 - 214
32X-RAY DIFFRACTION32( CHAIN F AND RESID 215:230 )F215 - 230
33X-RAY DIFFRACTION33( CHAIN H AND RESID 1:40 )H1 - 40
34X-RAY DIFFRACTION34( CHAIN H AND RESID 41:83 )H41 - 83
35X-RAY DIFFRACTION35( CHAIN H AND RESID 84:120 )H84 - 120
36X-RAY DIFFRACTION36( CHAIN H AND RESID 121:157 )H121 - 157
37X-RAY DIFFRACTION37( CHAIN H AND RESID 158:205 )H158 - 205
38X-RAY DIFFRACTION38( CHAIN H AND RESID 206:225 )H206 - 225
39X-RAY DIFFRACTION39( CHAIN H AND RESID 226:239 )H226 - 239
40X-RAY DIFFRACTION40( CHAIN U AND RESID 1:40 )U1 - 40
41X-RAY DIFFRACTION41( CHAIN U AND RESID 41:83 )U41 - 83
42X-RAY DIFFRACTION42( CHAIN U AND RESID 84:138 )U84 - 138
43X-RAY DIFFRACTION43( CHAIN U AND RESID 139:157 )U139 - 157
44X-RAY DIFFRACTION44( CHAIN U AND RESID 158:214 )U158 - 214
45X-RAY DIFFRACTION45( CHAIN U AND RESID 215:230 )U215 - 230

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