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- PDB-4fp8: Crystal structure of broadly neutralizing antibody C05 bound to H... -

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Basic information

Entry
Database: PDB / ID: 4fp8
TitleCrystal structure of broadly neutralizing antibody C05 bound to H3 influenza hemagglutinin, HA1 subunit
Components
  • (Antibody C05, ...) x 2
  • Hemagglutinin HA1 chain
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / viral fusion protein / immunoglobulin / virus attachment and entry / immune recognition / 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 / 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 / membrane
Similarity search - Function
Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon ...Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon / Immunoglobulins / Alpha-Beta Complex / Immunoglobulin-like / Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Biological speciesInfluenza A virus
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.947 Å
AuthorsEkiert, D.C. / Wilson, I.A.
CitationJournal: Nature / Year: 2012
Title: Cross-neutralization of influenza A viruses mediated by a single antibody loop.
Authors: Damian C Ekiert / Arun K Kashyap / John Steel / Adam Rubrum / Gira Bhabha / Reza Khayat / Jeong Hyun Lee / Michael A Dillon / Ryann E O'Neil / Aleksandr M Faynboym / Michael Horowitz / ...Authors: Damian C Ekiert / Arun K Kashyap / John Steel / Adam Rubrum / Gira Bhabha / Reza Khayat / Jeong Hyun Lee / Michael A Dillon / Ryann E O'Neil / Aleksandr M Faynboym / Michael Horowitz / Lawrence Horowitz / Andrew B Ward / Peter Palese / Richard Webby / Richard A Lerner / Ramesh R Bhatt / Ian A Wilson /
Abstract: Immune recognition of protein antigens relies on the combined interaction of multiple antibody loops, which provide a fairly large footprint and constrain the size and shape of protein surfaces that ...Immune recognition of protein antigens relies on the combined interaction of multiple antibody loops, which provide a fairly large footprint and constrain the size and shape of protein surfaces that can be targeted. Single protein loops can mediate extremely high-affinity binding, but it is unclear whether such a mechanism is available to antibodies. Here we report the isolation and characterization of an antibody called C05, which neutralizes strains from multiple subtypes of influenza A virus, including H1, H2 and H3. X-ray and electron microscopy structures show that C05 recognizes conserved elements of the receptor-binding site on the haemagglutinin surface glycoprotein. Recognition of the haemagglutinin receptor-binding site is dominated by a single heavy-chain complementarity-determining region 3 loop, with minor contacts from heavy-chain complementarity-determining region 1, and is sufficient to achieve nanomolar binding with a minimal footprint. Thus, binding predominantly with a single loop can allow antibodies to target small, conserved functional sites on otherwise hypervariable antigens.
History
DepositionJun 21, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 19, 2012Provider: repository / Type: Initial release
Revision 1.1Oct 3, 2012Group: Database references
Revision 1.2Oct 10, 2012Group: Database references
Revision 2.0Dec 25, 2019Group: Database references / Derived calculations / Polymer sequence
Category: entity_poly / pdbx_struct_mod_residue ...entity_poly / pdbx_struct_mod_residue / struct_conn / struct_ref_seq_dif
Item: _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_struct_mod_residue.parent_comp_id ..._entity_poly.pdbx_seq_one_letter_code_can / _pdbx_struct_mod_residue.parent_comp_id / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details
Revision 3.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_conn_angle / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_entity_id / _chem_comp.name / _chem_comp.type / _pdbx_entity_nonpoly.entity_id / _pdbx_entity_nonpoly.name / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 3.1May 19, 2021Group: Source and taxonomy / Structure summary / Category: chem_comp / entity_src_gen
Item: _chem_comp.pdbx_synonyms / _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_strain
Revision 3.2Sep 13, 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
Revision 3.3Nov 20, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin HA1 chain
B: Hemagglutinin HA1 chain
C: Hemagglutinin HA1 chain
D: Hemagglutinin HA1 chain
H: Antibody C05, heavy chain
L: Antibody C05, light chain
I: Antibody C05, heavy chain
M: Antibody C05, light chain
J: Antibody C05, heavy chain
N: Antibody C05, light chain
K: Antibody C05, heavy chain
O: Antibody C05, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)319,68123
Polymers318,29112
Non-polymers1,39011
Water00
1
A: Hemagglutinin HA1 chain
H: Antibody C05, heavy chain
L: Antibody C05, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)79,9907
Polymers79,5733
Non-polymers4174
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Hemagglutinin HA1 chain
I: Antibody C05, heavy chain
M: Antibody C05, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)79,6384
Polymers79,5733
Non-polymers651
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Hemagglutinin HA1 chain
J: Antibody C05, heavy chain
N: Antibody C05, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)80,1937
Polymers79,5733
Non-polymers6214
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Hemagglutinin HA1 chain
K: Antibody C05, heavy chain
O: Antibody C05, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)79,8595
Polymers79,5733
Non-polymers2872
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)90.794, 247.720, 95.380
Angle α, β, γ (deg.)90.00, 91.33, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Antibody , 2 types, 8 molecules HIJKLMNO

#2: Antibody
Antibody C05, heavy chain


Mass: 25474.379 Da / Num. of mol.: 4 / Fragment: Fab
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK 293 Freestyle / Production host: Homo sapiens (human)
#3: Antibody
Antibody C05, light chain


Mass: 23367.018 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK 293 Freestyle / Production host: Homo sapiens (human)

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Protein / Non-polymers , 2 types, 12 molecules ABCD

#1: Protein
Hemagglutinin HA1 chain / Hemagglutinin receptor binding subunit HA1


Mass: 30731.434 Da / Num. of mol.: 4 / Fragment: UNP residues 59-325
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/Hong Kong/1/1968 H3N2 / Gene: HA / Cell line (production host): High Five / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q91MA7
#6: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn

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Sugars , 2 types, 3 molecules

#4: 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.: 1
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
#5: 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.: 2
Source method: isolated from a genetically manipulated source
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 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: 3.37 Å3/Da / Density % sol: 63.49 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / pH: 4.5
Details: 10% w/v PEG3000, 200 mM zinc acetate, 100 mM sodium acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.033 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Mar 10, 2010
RadiationMonochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 2.921→50 Å / Num. obs: 84287 / % possible obs: 95.5 % / Observed criterion σ(I): -3 / Redundancy: 3.1 % / Biso Wilson estimate: 69.9 Å2 / Rsym value: 0.1 / Net I/σ(I): 10.9
Reflection shellResolution: 2.921→3.06 Å / Redundancy: 3 % / Mean I/σ(I) obs: 2.1 / Rsym value: 0.58 / % possible all: 97.2

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Processing

Software
NameVersionClassification
Blu-IceEpicsdata collection
PHASERphasing
PHENIX(phenix.refine: 1.7.2_869)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRIES 4FNK AND 4FNL

4fnk

4fnl


Resolution: 2.947→44.495 Å / SU ML: 0.77 / σ(F): 0 / Phase error: 23.66 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.241 4191 4.98 %RANDOM
Rwork0.2122 ---
obs0.2136 84209 95.1 %-
Solvent computationShrinkage radii: 0.98 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 24.708 Å2 / ksol: 0.299 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1--2.6741 Å2-0 Å2-0.9601 Å2
2--0.111 Å20 Å2
3---2.5631 Å2
Refinement stepCycle: LAST / Resolution: 2.947→44.495 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21913 0 64 0 21977
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00522984
X-RAY DIFFRACTIONf_angle_d1.10431281
X-RAY DIFFRACTIONf_dihedral_angle_d13.7058340
X-RAY DIFFRACTIONf_chiral_restr0.0673482
X-RAY DIFFRACTIONf_plane_restr0.0064069
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.947-2.980.38011230.33872435X-RAY DIFFRACTION87
2.98-3.0150.31681270.32082693X-RAY DIFFRACTION97
3.015-3.05180.35421590.30142730X-RAY DIFFRACTION97
3.0518-3.09040.34131460.2942710X-RAY DIFFRACTION97
3.0904-3.13110.28831500.2782698X-RAY DIFFRACTION97
3.1311-3.17390.27411500.27562739X-RAY DIFFRACTION97
3.1739-3.21930.28611310.26512645X-RAY DIFFRACTION96
3.2193-3.26730.2861340.27092758X-RAY DIFFRACTION97
3.2673-3.31840.33191450.26232674X-RAY DIFFRACTION97
3.3184-3.37270.28741290.25482726X-RAY DIFFRACTION96
3.3727-3.43090.28681440.24962709X-RAY DIFFRACTION97
3.4309-3.49320.24371280.23372730X-RAY DIFFRACTION96
3.4932-3.56040.24751510.23512650X-RAY DIFFRACTION96
3.5604-3.6330.28451350.23062731X-RAY DIFFRACTION96
3.633-3.7120.24611490.22992648X-RAY DIFFRACTION96
3.712-3.79830.25361580.22612701X-RAY DIFFRACTION96
3.7983-3.89320.2391170.21752662X-RAY DIFFRACTION96
3.8932-3.99840.22411490.20972714X-RAY DIFFRACTION96
3.9984-4.1160.24951420.18682654X-RAY DIFFRACTION95
4.116-4.24880.20261160.18672672X-RAY DIFFRACTION95
4.2488-4.40050.22441350.17922685X-RAY DIFFRACTION95
4.4005-4.57650.19531600.16622649X-RAY DIFFRACTION95
4.5765-4.78460.17751380.15512676X-RAY DIFFRACTION95
4.7846-5.03650.18281380.16252658X-RAY DIFFRACTION95
5.0365-5.35160.19381500.17332632X-RAY DIFFRACTION94
5.3516-5.7640.2481580.19042598X-RAY DIFFRACTION94
5.764-6.34250.25931560.2052626X-RAY DIFFRACTION93
6.3425-7.25690.23461110.21472638X-RAY DIFFRACTION93
7.2569-9.12990.21551270.18542619X-RAY DIFFRACTION92
9.1299-44.49960.21341350.19382558X-RAY DIFFRACTION90
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)
10.35541.08350.11564.0020.07271.97570.11680.321-0.977-0.63710.05780.12750.5131-0.0558-0.07340.7984-0.2264-0.21731.0613-0.43541.3884-116.4562-111.012831.357
21.88560.89691.61962.77240.04663.1461-0.13120.6511-0.1175-0.15630.12260.05280.05180.1310.10560.4804-0.0247-0.00330.4743-0.10240.727-98.2296-101.297940.9748
32.9037-0.70841.89880.1947-0.4341.2941-0.29440.0103-0.35530.04860.0750.25580.0006-0.336-0.01430.53810.02910.04090.4914-0.08070.6778-98.0386-105.353543.4344
42.6131-0.106-0.40672.5835-0.00480.9895-0.2663-0.1251-0.46130.18190.00910.35960.0534-0.1052-0.00380.46610.01080.08690.31980.08260.4982-96.8446-97.69354.6941
56.3995-0.1314-0.00534.9240.5253.354-0.17490.149-0.1870.1535-0.0447-0.3621-0.23020.2195-0.00280.3796-0.04660.01930.2890.01390.4474-83.6077-94.86953.076
66.744-0.903-0.94332.37850.24831.2015-0.3149-0.7977-0.30410.39640.17690.2317-0.1379-0.01010.07820.51910.09140.09930.3790.12320.3832-98.4504-97.262862.7042
71.47010.17060.87956.67260.11831.112-0.2698-0.4959-0.41060.39880.0033-0.86120.41570.65050.31110.47820.0333-0.10840.56270.23940.7071-75.5205-103.246861.652
83.0569-1.9592-0.39976.38731.61024.4981-0.4302-0.2399-0.93680.47190.23810.04020.3922-0.2150.62490.42950.022-0.02380.47120.15250.5691-87.4305-107.51160.0495
92.2393-0.2417-0.47072.7050.59281.95470.0785-0.3867-0.50480.27380.15970.12630.1034-0.25340.22410.45730.02860.06240.40330.18290.4386-97.0504-102.552562.5764
102.03960.3669-0.46992.80351.61333.1938-0.16730.2594-0.66280.0106-0.35220.6105-0.0456-0.4998-0.45370.41430.01710.06890.441-0.01470.5962-102.8291-102.95949.3118
115.6402-1.54720.26562.79291.19270.9658-0.59580.0254-0.1717-0.16050.4251.4640.2606-1.1150.09120.6676-0.2046-0.0681.2124-0.3371.5009-118.9452-113.483732.2799
120.51570.66020.50372.70841.07450.5912-0.00370.0191-0.4709-0.09580.0073-0.01380.3019-0.1992-0.04170.824-0.4410.15340.9325-0.36251.729-117.0172-120.211538.4751
136.9637-4.8738-0.5818.73640.04163.44590.01610.9784-0.4249-1.1720.1223-0.5745-0.02580.7788-0.03841.4669-0.05950.30321.7669-0.25420.985314.7858-49.798225.7545
144.59291.2205-0.33793.92411.23025.92270.24561.00870.1264-0.11370.2354-0.9001-0.16970.4649-0.59570.5233-0.10360.01720.78240.02480.62065.9361-39.694644.0541
152.01180.0711-0.43991.8060.12535.7671-0.37531.28080.2692-0.35410.3075-0.1491-0.160.39380.06320.4614-0.10960.03020.8343-0.00310.49693.235-43.601744.3345
164.3013-4.1372-2.13638.24464.81686.5106-0.01281.48070.4414-1.4181-0.3592-0.3747-0.40710.07430.38630.5843-0.1576-0.0690.8210.09970.4323-4.231-41.138938.4423
175.9218-2.7374-1.95075.05040.38084.84490.0026-0.00751.2734-0.20020.04860.1203-0.51490.1606-0.06820.5296-0.0354-0.07470.2368-0.0380.6103-7.6137-31.026657.5709
184.6828-0.8054-1.22533.3141-0.41197.6272-0.16670.3630.4064-0.46120.0640.6647-0.2994-0.48630.04340.4038-0.1038-0.12060.2758-0.01780.5831-14.9623-37.078653.7984
195.3234-0.7582-0.25233.8464-1.10954.39690.410.2944-0.6541-0.49470.17050.69450.2815-0.255-0.59950.4205-0.057-0.12660.3151-0.07940.5763-13.1581-44.894455.1573
203.7758-1.0719-0.51563.64850.44722.61930.01051.26470.1187-0.7244-0.07320.3211-0.19510.20070.02730.5311-0.0923-0.11940.6903-0.03110.4563-7.9999-40.512842.0735
212.9713-1.4098-2.11272.2255-0.72967.067-0.44181.1681-0.3429-1.09550.2146-0.17960.02520.39320.11451.33850.02240.28961.8527-0.41220.886713.7804-52.290723.2724
220.1699-0.1561-0.34010.42980.59610.9613-0.13610.2128-0.1581-0.62630.1982-0.13180.17050.1505-0.15111.70350.1454-0.14551.674-0.76530.91087.3284-58.857325.2584
239.7675-0.558-0.10220.0690.19630.98650.2589-0.74120.71670.54020.21021.71930.9552-1.0058-0.4481.0658-0.24510.38431.96420.04581.77332.5649-51.023589.8973
243.6075-0.6289-0.13182.502-0.6213.3785-0.1272-0.27260.14740.21330.2007-0.2865-0.10370.0043-0.0720.34770.0158-0.0420.385-0.0760.515926.2969-45.993266.1041
255.33050.49720.17823.8763-0.00782.0108-0.24-0.8832-0.23760.5570.1498-0.22820.1058-0.2960.09020.40570.092-0.05930.5771-0.03320.516427.1154-49.348674.4379
260.6061-0.13221.39450.0326-0.32083.29090.08660.1107-0.9292-0.3138-0.3611-0.45881.77670.40960.24012.30010.19090.60852.33620.15041.43682.4338-54.811492.2634
279.13186.72291.46864.94921.0810.2359-0.26470.2912-0.131-0.083-0.006-0.22940.3817-0.13380.36832.3231-0.6701-0.25592.46130.90991.96866.1867-62.512589.1084
280.754-0.8526-2.0841.0232.42345.8381-0.06790.1202-0.5871-0.7197-0.22320.24750.3178-0.50870.28891.40160.07710.13022.89350.2871.56-40.110410.642450.7833
292.92460.5485-1.2662.1558-1.12133.1540.11180.46760.21570.11840.23260.36-0.4372-0.6435-0.26320.45570.0740.10530.43470.10060.4905-17.196217.070175.0781
300.9276-0.0625-1.56723.09740.3622.74340.1010.92990.13240.07470.23780.648-0.0956-1.296-0.2250.48310.02410.07430.80730.18440.5504-25.410713.696475.6624
314.1199-1.9526-0.42541.19461.02482.5617-0.4366-0.176-0.56890.152-0.53260.31240.3688-0.57020.86081.9166-1.0707-0.52933.68940.04452.8134-42.18477.268450.564
320.0230.0019-0.00840-0.00080.00290.03410.6740.2609-0.87760.4509-1.1835-0.67591.1099-0.41453.2842-1.1958-0.07123.1632-0.46172.6737-39.1838-1.038354.8025
332.67870.6924-0.3015.0940.12230.1231-0.23150.4589-0.6594-0.17930.1121-0.04980.35350.37760.12050.5115-0.0103-0.11270.5834-0.15330.4725-56.2734-88.804145.921
342.35931.1634-0.74341.6765-0.39821.0987-0.17820.4610.384-0.35980.35160.38180.0980.10230.00480.4237-0.1056-0.07650.5490.01920.466-60.3699-82.008744.7057
356.0511-0.2686-2.44216.1812-4.07183.8187-0.1055-1.02510.27291.0966-0.04-0.9431-0.80741.49630.12990.4842-0.0416-0.00280.6161-0.17450.7328-19.3465-72.724459.3349
361.9633-0.37780.55293.407-1.09193.6598-0.3350.1352-0.4271-0.1969-0.0483-0.27280.6336-0.1255-0.12970.4255-0.04930.07150.3667-0.06120.5081-28.6497-78.640452.4482
372.66030.52350.83952.87380.04964.1544-0.0415-0.3504-0.02860.31070.3153-0.60750.53350.53-0.23660.40890.1001-0.04070.4371-0.15590.60341.0567-23.054486.1985
383.3856-0.81961.97782.67342.13425.36650.14570.3632-0.20.09250.5303-0.97080.07121.2881-0.52430.3718-0.01620.00040.5974-0.2590.76426.496-21.286679.1018
390.8090.21710.91311.2201-0.25221.6727-0.2205-0.24590.129-0.04740.5244-0.5449-0.28820.4648-0.20180.34620.0224-0.03230.5047-0.24910.65691.3255-19.985383.181
408.01993.53863.55937.4041-0.10053.1384-0.868-1.74960.95010.89020.93771.725-1.0189-1.6290.03341.0230.40520.10460.98120.36520.8742-13.5251-11.498121.1033
412.6242-1.22541.15642.5450.77153.2401-0.0347-0.2933-1.18730.25880.6090.05620.85260.0304-0.4370.64750.073-0.23660.4121-0.03241.0448-7.552-15.2898111.3621
425.0031-3.0616-3.68584.79911.23586.4831-0.478-0.3199-2.06030.15960.43520.07911.68230.4320.150.8250.2091-0.25060.6432-0.10541.4063-0.5463-22.4273112.4866
431.34322.503-0.54455.7503-3.5536.2514-0.00330.19670.1088-0.6460.07470.46620.5558-0.2607-0.04170.3622-0.02330.0150.67880.13740.603824.3838-26.396333.0271
445.96082.0228-0.16269.4187-1.55416.05060.0212-0.14370.25270.1147-0.30460.4692-0.4458-0.11490.24040.37710.07390.08070.61170.03590.648924.5082-18.563540.5246
452.2766-1.09480.22573.9553-4.02614.4726-0.04230.14850.42870.22750.04050.3873-0.2712-0.27080.04820.40180.0044-0.00120.56250.05960.772124.3635-21.941937.9984
460.23771.3174-0.66527.9339-3.56011.90320.29710.3610.33980.889-0.3124-0.3636-0.52350.53410.06090.40450.01330.09020.60310.18920.588131.8458-29.007146.922
471.08240.993-0.88421.0242-1.18152.03450.08670.36710.4119-0.2391-0.43930.2414-0.3367-0.01150.41380.57990.1079-0.14590.73550.15330.858723.8061-12.400521.2982
480.5425-0.64771.41242.6898-2.23833.83420.59521.95251.4326-0.9004-0.7273-2.1853-0.08211.68310.22040.7769-0.0950.19891.25060.03781.365943.4913-17.3338-0.5692
494.2908-0.7421-0.8254.1012-0.50612.9701-0.16770.0733-1.2267-0.43670.3731-0.16270.5629-0.1544-0.11840.4782-0.0839-0.07090.72810.06831.097136.6236-18.36969.2177
501.6735-0.2325-1.62333.30760.01952.788-0.25720.277-0.7103-0.28080.5350.84910.828-0.9422-0.26650.6513-0.103-0.07531.10780.15461.224327.1877-21.65228.3602
512.23570.5170.34730.82990.38090.24050.4058-0.1484-0.10881.0497-0.611-0.3094-0.96770.78640.09381.0647-0.4305-0.02480.66050.12020.40899.531741.098873.0561
521.121-1.03960.47091.0771-0.87161.98240.42650.02240.66320.387-0.5318-0.5869-0.53381.36220.3491.4379-0.9514-0.22071.63370.36630.881926.87150.650376.4407
530.9368-2.73422.02328.0735-5.9724.41640.5672-0.357-0.50260.25820.2132-0.10541.3797-0.5393-0.67872.3246-1.1894-0.64223.85330.82372.354546.461955.941392.3887
540.391-0.75290.01181.86560.63051.0318-0.1854-0.5782-0.2950.7578-0.3299-0.36060.81720.66490.6711.6925-0.539-0.0653.16311.20361.707436.700347.453684.8569
551.94151.7089-1.00535.40234.34977.54620.1051-0.6636-0.64050.5594-0.6538-1.25671.53592.24190.53692.1752-1.0275-0.6252.820.92581.45435.011557.549284.2799
569.03283.30156.65329.23554.27135.35830.03611.30290.3501-1.5335-0.1910.1846-1.44740.10330.23942.145-0.223-0.35192.6284-0.1381.77752.747245.246395.6814
574.6436-0.82111.16374.1814-1.69824.08310.54170.21910.2662-0.15830.1552-0.1826-0.1712-0.8293-0.66371.94810.0185-0.13432.53460.6751.325942.64447.223378.6533
588.9458-0.55343.08864.8197-0.35713.51490.1001-0.22570.53030.2142-0.00330.8235-0.0167-0.12530.32570.2970.00360.08740.5013-0.04520.6588-58.3188-64.613865.5663
591.95721.33830.63961.3524-0.21982.2261-0.1576-0.42650.9362-0.01180.01090.8144-0.2417-0.65480.61950.30980.04460.08860.5195-0.10560.9525-69.9175-67.623861.583
606.232-1.3011-2.00877.65630.17852.1470.1684-0.4404-0.5310.35190.0928-0.33020.49940.43330.2060.467-0.0222-0.00880.52530.01140.41-59.5507-78.529164.5621
612.5666-0.0760.65742.6954-0.26695.12280.0318-0.35520.21120.6308-0.03110.41120.1514-0.0135-0.06370.42440.03810.08520.4376-0.10360.5784-59.8678-71.114466.9467
621.67560.3221-0.20591.01980.42310.6591-0.2744-0.24720.42610.00390.17520.26240.0988-0.05390.02330.3445-0.0066-0.04520.4118-0.06710.431-45.0629-68.266760.7145
633.68430.9166-2.2611.7903-1.7524.4261-0.16410.05960.3532-0.08130.17850.0863-0.161-0.02420.10470.33640.0016-0.11480.3459-0.07940.4798-25.52-61.654154.4323
642.55580.2338-2.06922.12120.08813.9851-0.0512-0.23880.13380.09720.2-0.4265-0.03990.21140.08390.3520.0159-0.09180.3937-0.12540.5087-24.8544-62.161558.0107
654.4115-1.8186-1.13314.54772.30336.26530.01260.24290.0042-0.3710.08370.0520.0277-0.2486-0.14190.3345-0.0579-0.02340.26910.0060.38-15.3596-8.401679.297
660.9219-0.24520.04931.57911.04253.93830.0577-0.0471-0.198-0.00620.1214-0.10680.1248-0.1756-0.16240.294-0.01840.00050.2550.04260.5001-13.3675-6.323895.9817
676.79212.05684.70244.28772.72618.1614-0.3275-0.21180.13570.17310.38140.2702-0.26760.3717-0.00020.36970.01960.09150.3126-0.02720.5051-10.29990.735111.5652
684.83930.53712.09592.39870.63415.7697-0.1365-1.41510.00080.50480.0599-0.0793-0.0098-0.02460.07980.56080.0530.02140.7570.030.3906-10.06412.2777123.7366
695.6091.3376-1.61151.6009-0.76632.3674-0.0496-0.26490.19810.3223-0.3884-0.4436-0.2610.94920.32670.4692-0.0512-0.08880.92620.2530.8347.9009-18.538640.4332
701.21980.5099-1.76481.0171-1.20812.8730.0220.0145-0.14010.0059-0.09770.0605-0.26460.08780.00590.3616-0.0948-0.00060.7427-0.00250.75443.6768-12.028716.2208
716.7953-5.11045.41596.8907-3.37386.319-0.1650.23670.1047-0.0081-0.195-0.3609-0.3334-0.09430.33730.3428-0.08940.13930.79320.06960.764646.0696-5.2979.3412
724.5672-1.09081.33663.9314-0.49024.11770.25511.33260.157-0.4666-0.06570.162-0.4795-0.3733-0.16410.5442-0.09090.03021.2940.12170.641346.3684-3.339-2.7411
730.2727-0.0159-0.3230.3389-0.19490.53670.0988-0.61220.09541.0745-0.2384-0.0696-0.89320.5594-0.11292.4914-0.83880.26891.25960.06180.42816.509746.423394.7446
740.1078-0.12660.28240.1564-0.3420.7363-0.3170.62280.47370.031-0.4909-0.543-1.17531.17670.49792.2773-1.113-0.77283.01240.64551.358636.978559.233894.6077
750.9719-0.3164-0.52980.62380.41060.56410.1792-0.64060.32160.28850.3788-0.64730.13070.2631-0.29442.5656-1.2138-0.96032.3970.26832.062938.213471.378592.597
760.4519-0.35030.67290.3954-0.42892.739-0.19720.30610.33340.2071-0.147-0.3358-0.31510.43080.2642.7421-1.3744-1.03612.4690.84131.711733.73857.763993.4915
772.7661-0.9966-1.3980.37990.49890.72690.23110.3121-0.5514-0.57310.02440.48430.7261-1.0668-0.20372.1529-0.3554-0.39312.20880.69772.781550.337873.461486.7953
788.70030.9402-7.86140.1034-0.85487.1060.05120.30170.20370.2206-0.39980.0797-0.0139-0.08820.27922.5022-1.127-0.69463.41490.47891.817842.773467.0562101.0272
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain A and ( resseq 43:57 )A43 - 57
2X-RAY DIFFRACTION2chain A and ( resseq 58:79 )A58 - 79
3X-RAY DIFFRACTION3chain A and ( resseq 80:104 )A80 - 104
4X-RAY DIFFRACTION4chain A and ( resseq 105:136 )A105 - 136
5X-RAY DIFFRACTION5chain A and ( resseq 137:163 )A137 - 163
6X-RAY DIFFRACTION6chain A and ( resseq 164:184 )A164 - 184
7X-RAY DIFFRACTION7chain A and ( resseq 185:201 )A185 - 201
8X-RAY DIFFRACTION8chain A and ( resseq 202:228 )A202 - 228
9X-RAY DIFFRACTION9chain A and ( resseq 229:247 )A229 - 247
10X-RAY DIFFRACTION10chain A and ( resseq 248:274 )A248 - 274
11X-RAY DIFFRACTION11chain A and ( resseq 275:294 )A275 - 294
12X-RAY DIFFRACTION12chain A and ( resseq 295:309 )A295 - 309
13X-RAY DIFFRACTION13chain B and ( resseq 43:57 )B43 - 57
14X-RAY DIFFRACTION14chain B and ( resseq 58:79 )B58 - 79
15X-RAY DIFFRACTION15chain B and ( resseq 80:104 )B80 - 104
16X-RAY DIFFRACTION16chain B and ( resseq 105:122 )B105 - 122
17X-RAY DIFFRACTION17chain B and ( resseq 123:163 )B123 - 163
18X-RAY DIFFRACTION18chain B and ( resseq 164:201 )B164 - 201
19X-RAY DIFFRACTION19chain B and ( resseq 202:228 )B202 - 228
20X-RAY DIFFRACTION20chain B and ( resseq 229:274 )B229 - 274
21X-RAY DIFFRACTION21chain B and ( resseq 275:294 )B275 - 294
22X-RAY DIFFRACTION22chain B and ( resseq 295:309 )B295 - 309
23X-RAY DIFFRACTION23chain C and ( resseq 44:57 )C44 - 57
24X-RAY DIFFRACTION24chain C and ( resseq 58:228 )C58 - 228
25X-RAY DIFFRACTION25chain C and ( resseq 229:274 )C229 - 274
26X-RAY DIFFRACTION26chain C and ( resseq 275:294 )C275 - 294
27X-RAY DIFFRACTION27chain C and ( resseq 295:308 )C295 - 308
28X-RAY DIFFRACTION28chain D and ( resseq 44:57 )D44 - 57
29X-RAY DIFFRACTION29chain D and ( resseq 58:228 )D58 - 228
30X-RAY DIFFRACTION30chain D and ( resseq 229:274 )D229 - 274
31X-RAY DIFFRACTION31chain D and ( resseq 275:294 )D275 - 294
32X-RAY DIFFRACTION32chain D and ( resseq 295:309 )D295 - 309
33X-RAY DIFFRACTION33chain H and ( resseq 2:35C )H2 - 35
34X-RAY DIFFRACTION34chain H and ( resseq 35D:119 )H35 - 119
35X-RAY DIFFRACTION35chain H and ( resseq 120:139 )H120 - 139
36X-RAY DIFFRACTION36chain H and ( resseq 140:213 )H140 - 213
37X-RAY DIFFRACTION37chain I and ( resseq 2:44 )I2 - 44
38X-RAY DIFFRACTION38chain I and ( resseq 45:82 )I45 - 82
39X-RAY DIFFRACTION39chain I and ( resseq 83:119 )I83 - 119
40X-RAY DIFFRACTION40chain I and ( resseq 120:139 )I120 - 139
41X-RAY DIFFRACTION41chain I and ( resseq 140:198 )I140 - 198
42X-RAY DIFFRACTION42chain I and ( resseq 199:212 )I199 - 212
43X-RAY DIFFRACTION43chain J and ( resseq 2:35C )J2 - 35
44X-RAY DIFFRACTION44chain J and ( resseq 35D:75 )J35 - 75
45X-RAY DIFFRACTION45chain J and ( resseq 76:100E )J76 - 100
46X-RAY DIFFRACTION46chain J and ( resseq 100F:103 )J100 - 103
47X-RAY DIFFRACTION47chain J and ( resseq 104:119 )J104 - 119
48X-RAY DIFFRACTION48chain J and ( resseq 120:139 )J120 - 139
49X-RAY DIFFRACTION49chain J and ( resseq 140:198 )J140 - 198
50X-RAY DIFFRACTION50chain J and ( resseq 199:212 )J199 - 212
51X-RAY DIFFRACTION51chain K and ( resseq 2:100O )K2 - 100
52X-RAY DIFFRACTION52chain K and ( resseq 100P:124 )K100 - 124
53X-RAY DIFFRACTION53chain K and ( resseq 125:144 )K125 - 144
54X-RAY DIFFRACTION54chain K and ( resseq 145:164 )K145 - 164
55X-RAY DIFFRACTION55chain K and ( resseq 165:184 )K165 - 184
56X-RAY DIFFRACTION56chain K and ( resseq 185:193 )K185 - 193
57X-RAY DIFFRACTION57chain K and ( resseq 194:212 )K194 - 212
58X-RAY DIFFRACTION58chain L and ( resseq 1:18 )L1 - 18
59X-RAY DIFFRACTION59chain L and ( resseq 19:32 )L19 - 32
60X-RAY DIFFRACTION60chain L and ( resseq 33:61 )L33 - 61
61X-RAY DIFFRACTION61chain L and ( resseq 62:90 )L62 - 90
62X-RAY DIFFRACTION62chain L and ( resseq 91:121 )L91 - 121
63X-RAY DIFFRACTION63chain L and ( resseq 122:161 )L122 - 161
64X-RAY DIFFRACTION64chain L and ( resseq 162:212 )L162 - 212
65X-RAY DIFFRACTION65chain M and ( resseq 1:61 )M1 - 61
66X-RAY DIFFRACTION66chain M and ( resseq 62:141 )M62 - 141
67X-RAY DIFFRACTION67chain M and ( resseq 142:181 )M142 - 181
68X-RAY DIFFRACTION68chain M and ( resseq 182:212 )M182 - 212
69X-RAY DIFFRACTION69chain N and ( resseq 1:90 )N1 - 90
70X-RAY DIFFRACTION70chain N and ( resseq 91:141 )N91 - 141
71X-RAY DIFFRACTION71chain N and ( resseq 142:181 )N142 - 181
72X-RAY DIFFRACTION72chain N and ( resseq 182:212 )N182 - 212
73X-RAY DIFFRACTION73chain O and ( resseq 1:101 )O1 - 101
74X-RAY DIFFRACTION74chain O and ( resseq 102:143 )O102 - 143
75X-RAY DIFFRACTION75chain O and ( resseq 144:163 )O144 - 163
76X-RAY DIFFRACTION76chain O and ( resseq 164:183 )O164 - 183
77X-RAY DIFFRACTION77chain O and ( resseq 184:193 )O184 - 193
78X-RAY DIFFRACTION78chain O and ( resseq 194:212 )O194 - 212

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