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- PDB-6qzd: HLA-DR1 with SGP Influenza Matrix Peptide -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6qzd
TitleHLA-DR1 with SGP Influenza Matrix Peptide
Components
  • (HLA class II histocompatibility antigen, ...) x 2
  • Matrix protein 1
KeywordsIMMUNE SYSTEM / HLA-DR1 / Influenza / CD4 / T-Cell / Helper T-cell / Matrix
Function / homology
Function and homology information


regulation of interleukin-4 production / regulation of interleukin-10 production / positive regulation of T cell mediated immune response to tumor cell / myeloid dendritic cell antigen processing and presentation / antigen processing and presentation of endogenous peptide antigen via MHC class II / autolysosome membrane / regulation of T-helper cell differentiation / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / MHC class II receptor activity / positive regulation of CD4-positive, alpha-beta T cell activation ...regulation of interleukin-4 production / regulation of interleukin-10 production / positive regulation of T cell mediated immune response to tumor cell / myeloid dendritic cell antigen processing and presentation / antigen processing and presentation of endogenous peptide antigen via MHC class II / autolysosome membrane / regulation of T-helper cell differentiation / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / MHC class II receptor activity / positive regulation of CD4-positive, alpha-beta T cell activation / antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / positive regulation of memory T cell differentiation / positive regulation of monocyte differentiation / CD4 receptor binding / positive regulation of kinase activity / inflammatory response to antigenic stimulus / intermediate filament / transport vesicle membrane / polysaccharide binding / T-helper 1 type immune response / Translocation of ZAP-70 to Immunological synapse / Phosphorylation of CD3 and TCR zeta chains / positive regulation of insulin secretion involved in cellular response to glucose stimulus / humoral immune response / macrophage differentiation / negative regulation of type II interferon production / Generation of second messenger molecules / immunological synapse / PD-1 signaling / epidermis development / negative regulation of T cell proliferation / detection of bacterium / negative regulation of inflammatory response to antigenic stimulus / T cell receptor binding / MHC class II antigen presentation / viral budding from plasma membrane / trans-Golgi network membrane / lumenal side of endoplasmic reticulum membrane / protein tetramerization / clathrin-coated endocytic vesicle membrane / ER to Golgi transport vesicle membrane / structural constituent of cytoskeleton / cognition / positive regulation of T cell mediated cytotoxicity / peptide antigen assembly with MHC class II protein complex / MHC class II protein complex / peptide antigen binding / endocytic vesicle membrane / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / Interferon gamma signaling / positive regulation of T cell activation / Downstream TCR signaling / MHC class II protein complex binding / late endosome membrane / T cell receptor signaling pathway / early endosome membrane / positive regulation of canonical NF-kappaB signal transduction / structural constituent of virion / adaptive immune response / positive regulation of MAPK cascade / positive regulation of viral entry into host cell / lysosome / positive regulation of ERK1 and ERK2 cascade / immune response / positive regulation of protein phosphorylation / lysosomal membrane / external side of plasma membrane / Golgi membrane / host cell nucleus / virion membrane / positive regulation of DNA-templated transcription / cell surface / signal transduction / extracellular space / RNA binding / extracellular exosome / membrane / plasma membrane
Similarity search - Function
Matrix protein 1 / Influenza matrix M1, N-terminal / Influenza matrix M1, C-terminal / Influenza matrix M1, N-terminal subdomain 1 / Influenza matrix M1, N-terminal subdomain 2 / Influenza virus matrix protein M1 / Influenza Matrix protein (M1) / Influenza Matrix protein (M1) C-terminal domain / Influenza Matrix protein (M1) C-terminal domain / MHC class II, beta chain, N-terminal ...Matrix protein 1 / Influenza matrix M1, N-terminal / Influenza matrix M1, C-terminal / Influenza matrix M1, N-terminal subdomain 1 / Influenza matrix M1, N-terminal subdomain 2 / Influenza virus matrix protein M1 / Influenza Matrix protein (M1) / Influenza Matrix protein (M1) C-terminal domain / Influenza Matrix protein (M1) C-terminal domain / MHC class II, beta chain, N-terminal / Class II histocompatibility antigen, beta domain / Class II histocompatibility antigen, beta domain / MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / MHC classes I/II-like antigen recognition protein / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / HLA class II histocompatibility antigen, DR alpha chain / HLA class II histocompatibility antigen, DRB1 beta chain / Matrix protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
Influenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.66 Å
AuthorsGreenshields-Watson, A. / Rizkallah, P.J.
Funding support United Kingdom, 1items
OrganizationGrant numberCountry
Wellcome Trust United Kingdom
CitationJournal: Cell Rep / Year: 2020
Title: CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Authors: Greenshields-Watson, A. / Attaf, M. / MacLachlan, B.J. / Whalley, T. / Rius, C. / Wall, A. / Lloyd, A. / Hughes, H. / Strange, K.E. / Mason, G.H. / Schauenburg, A.J. / Hulin-Curtis, S.L. / ...Authors: Greenshields-Watson, A. / Attaf, M. / MacLachlan, B.J. / Whalley, T. / Rius, C. / Wall, A. / Lloyd, A. / Hughes, H. / Strange, K.E. / Mason, G.H. / Schauenburg, A.J. / Hulin-Curtis, S.L. / Geary, J. / Chen, Y. / Lauder, S.N. / Smart, K. / Vijaykrishna, D. / Grau, M.L. / Shugay, M. / Andrews, R. / Dolton, G. / Rizkallah, P.J. / Gallimore, A.M. / Sewell, A.K. / Godkin, A.J. / Cole, D.K.
History
DepositionMar 11, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 15, 2020Provider: repository / Type: Initial release
Revision 1.1Jul 29, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Jan 24, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: atom_type / chem_comp_atom ...atom_type / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _atom_type.pdbx_N_electrons / _atom_type.pdbx_scat_Z ..._atom_type.pdbx_N_electrons / _atom_type.pdbx_scat_Z / _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
AAA: HLA class II histocompatibility antigen, DR alpha chain
BBB: HLA class II histocompatibility antigen, DRB1-1 beta chain
CCC: Matrix protein 1
DDD: HLA class II histocompatibility antigen, DR alpha chain
EEE: HLA class II histocompatibility antigen, DRB1-1 beta chain
FFF: Matrix protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)90,08116
Polymers89,3086
Non-polymers77310
Water99155
1
AAA: HLA class II histocompatibility antigen, DR alpha chain
BBB: HLA class II histocompatibility antigen, DRB1-1 beta chain
CCC: Matrix protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,1019
Polymers44,6543
Non-polymers4466
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8580 Å2
ΔGint-28 kcal/mol
Surface area18490 Å2
MethodPISA
2
DDD: HLA class II histocompatibility antigen, DR alpha chain
EEE: HLA class II histocompatibility antigen, DRB1-1 beta chain
FFF: Matrix protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,9807
Polymers44,6543
Non-polymers3264
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8350 Å2
ΔGint-41 kcal/mol
Surface area18680 Å2
MethodPISA
Unit cell
Length a, b, c (Å)67.420, 76.730, 90.130
Angle α, β, γ (deg.)90.000, 93.500, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11Chains AAA DDD
22Chains BBB EEE
33Chains CCC FFF

NCS ensembles :
ID
1
2
3

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Components

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HLA class II histocompatibility antigen, ... , 2 types, 4 molecules AAADDDBBBEEE

#1: Protein HLA class II histocompatibility antigen, DR alpha chain / MHC class II antigen DRA


Mass: 20913.568 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DRA, HLA-DRA1 / Production host: Escherichia coli (E. coli) / References: UniProt: P01903
#2: Protein HLA class II histocompatibility antigen, DRB1-1 beta chain / MHC class II antigen DRB1*1 / DR1


Mass: 22211.859 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DRB1 / Production host: Escherichia coli (E. coli) / References: UniProt: P04229

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Protein/peptide , 1 types, 2 molecules CCCFFF

#3: Protein/peptide Matrix protein 1 / M1 / SGPLKAEIAQRLED-Peptide


Mass: 1528.706 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: Matrix (M1) Protien / Source: (synth.) Influenza A virus / References: UniProt: P05777

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Non-polymers , 5 types, 65 molecules

#4: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#5: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C2H6O2
#6: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO4
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 55 / Source method: isolated from a natural source / Formula: H2O

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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: 2.58 Å3/Da / Density % sol: 52.4 %
Crystal growTemperature: 291 K / Method: vapor diffusion / pH: 7.5 / Details: 0.1 M Tris 0.2 M NH4 SO4 25% PEG 4000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97626 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Mar 8, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97626 Å / Relative weight: 1
ReflectionResolution: 2.66→55.54 Å / Num. obs: 26304 / % possible obs: 99.1 % / Redundancy: 3.7 % / Rmerge(I) obs: 0.196 / Rpim(I) all: 0.116 / Rrim(I) all: 0.229 / Net I/σ(I): 6.3
Reflection shellResolution: 2.66→2.73 Å / Rmerge(I) obs: 1.043 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 1929 / CC1/2: 0.466 / Rpim(I) all: 0.616 / Rrim(I) all: 1.215 / % possible all: 98.7

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Processing

Software
NameVersionClassification
REFMAC5.8.0258refinement
xia2data reduction
XDSdata scaling
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1DLH

1dlh


Resolution: 2.66→55.537 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.895 / SU B: 34.311 / SU ML: 0.317 / Cross valid method: FREE R-VALUE / ESU R Free: 0.348
Details: Hydrogens have been added in their riding positions
RfactorNum. reflection% reflection
Rfree0.2539 1267 4.819 %
Rwork0.2001 --
all0.203 --
obs-26290 98.95 %
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso mean: 42.325 Å2
Baniso -1Baniso -2Baniso -3
1--2.441 Å2-0 Å20.044 Å2
2---0.072 Å2-0 Å2
3---2.489 Å2
Refinement stepCycle: LAST / Resolution: 2.66→55.537 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6262 0 49 55 6366
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.010.0126477
X-RAY DIFFRACTIONr_angle_refined_deg1.6841.6478801
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.8585764
X-RAY DIFFRACTIONr_dihedral_angle_2_deg32.35122.083384
X-RAY DIFFRACTIONr_dihedral_angle_3_deg20.234151030
X-RAY DIFFRACTIONr_dihedral_angle_4_deg21.7931548
X-RAY DIFFRACTIONr_chiral_restr0.1270.2804
X-RAY DIFFRACTIONr_gen_planes_refined0.0080.025120
X-RAY DIFFRACTIONr_nbd_refined0.2310.22414
X-RAY DIFFRACTIONr_nbtor_refined0.3170.24250
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1760.2210
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.2450.243
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.1420.23
X-RAY DIFFRACTIONr_mcbond_it1.1342.3543074
X-RAY DIFFRACTIONr_mcangle_it1.9893.5223832
X-RAY DIFFRACTIONr_scbond_it1.3732.4843403
X-RAY DIFFRACTIONr_scangle_it2.2283.6564969
X-RAY DIFFRACTIONr_lrange_it4.91330.7169073
X-RAY DIFFRACTIONr_ncsr_local_group_10.0980.055458
X-RAY DIFFRACTIONr_ncsr_local_group_20.0920.055714
X-RAY DIFFRACTIONr_ncsr_local_group_30.1640.05247
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRfactor allNum. reflection allFsc freeFsc work% reflection obs (%)WRfactor Rwork
2.66-2.7290.314830.31618430.31619540.740.75298.5670.317
2.729-2.8040.373980.32417630.32718890.7070.73398.51770.319
2.804-2.8850.335890.29517350.29718390.7350.78399.18430.287
2.885-2.9730.337860.27716940.2818040.8080.80998.66960.268
2.973-3.070.306810.27816400.2817390.8040.79998.96490.268
3.07-3.1780.275910.2415920.24216900.8660.88499.58580.224
3.178-3.2970.271720.21115440.21416280.8830.90399.26290.198
3.297-3.4320.255830.2114600.21315570.9050.90599.10080.196
3.432-3.5830.279840.19814060.20215080.8950.9298.80640.183
3.583-3.7580.271770.19213600.19614440.90.92999.51520.179
3.758-3.960.207600.18312930.18413670.9390.93798.97590.175
3.96-4.1990.262530.17212330.17512940.9290.9599.38180.163
4.199-4.4870.16520.14611700.14712330.9670.96699.10790.138
4.487-4.8440.176590.13110650.13311340.9640.97199.11820.127
4.844-5.3020.232590.1439690.14810400.9430.96198.84620.137
5.302-5.9210.233370.29140.2019590.920.93699.16580.19
5.921-6.8240.237430.1798140.1818610.9350.95199.53540.17
6.824-8.3260.289220.1746860.1787170.950.95198.74480.167
8.326-11.6450.172280.1535270.1545680.9510.96197.71130.154
11.645-55.5370.463100.2183150.2223410.7330.94195.30790.219
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)
11.8019-1.12741.67296.16091.82014.06240.11580.0067-0.29270.149-0.22090.07620.4187-0.16880.10510.0948-0.08610.02430.14120.02670.273938.211125.818861.467
21.46010.8676-2.93353.0763-0.262511.51570.0223-0.02090.3876-0.3391-0.15040.1449-0.39650.33280.12820.05550.0171-0.01370.16990.08960.302537.538134.232773.0858
310.5382-1.9288-4.17423.56122.30598.44020.2443-0.240.72380.22770.15340.0171-0.5035-0.1463-0.39770.1050.01520.00560.08480.02880.141636.409643.002566.8447
48.07024.7855-1.94178.7137-3.19861.1816-0.18880.170.6422-0.47250.1732-0.11280.1721-0.05040.01560.09720.0165-0.04530.2209-0.02110.149437.190342.9256.0606
51.3508-1.1811-1.10812.42740.1363.4757-0.1822-0.02920.28510.24990.09470.22690.1054-0.5890.08760.03060.0032-0.00540.2333-0.13720.402230.873429.729682.107
66.34172.6466-2.76834.6444-1.68674.0834-0.04090.47540.0543-0.09460.163-0.42410.1314-0.1059-0.12220.0582-0.0137-0.0690.11020.02420.166357.534638.777272.0958
73.93-0.75415.63230.1589-1.06619.0321-0.26830.11390.78380.0844-0.0967-0.14-0.2152-0.18740.3650.1862-0.1374-0.15140.43890.17550.786354.900347.628875.5032
83.5712.8601-2.30289.19130.25372.1545-0.02430.0266-0.1544-0.4662-0.34780.5352-0.1192-0.06560.37210.03160.0283-0.04810.19890.10070.215150.374335.490271.4736
911.89215.5174-3.97444.5514-2.74732.60310.197-0.26620.59840.1941-0.12260.1617-0.42880.3731-0.07450.2186-0.0112-0.09520.2013-0.06640.102160.095540.923879.8223
104.49762.4679-3.7633.2234-2.64777.2347-0.0441-0.1781-0.27660.0201-0.1622-0.1396-0.05360.58930.20630.1274-0.0103-0.01480.19650.00120.166465.655337.86877.4598
1111.5777-1.22714.25510.1969-0.30131.90150.1703-0.10730.2681-0.08030.0195-0.1579-0.08730.0004-0.18980.3103-0.00680.0380.2107-0.04020.288942.846336.107693.0414
123.27310.08842.31430.75632.478310.335-0.26890.459-0.2448-0.0111-0.00650.23970.10820.20950.27540.1387-0.0497-0.06520.0721-0.00670.255734.933423.006665.502
133.20941.79610.56222.73994.449310.0653-0.1737-0.1267-0.08430.1507-0.16910.07750.6692-0.30710.34280.1626-0.04220.06460.10950.03440.195934.79522.021876.2348
146.10932.79053.31734.3394-2.148110.4057-0.0142-0.0135-0.02250.03760.03640.00850.33420.0253-0.02220.08850.02820.00370.08720.01270.098429.583315.038971.3146
156.6248-1.31843.19133.6199-2.77135.52450.1612-0.28190.00120.2225-0.01420.01980.1539-0.2047-0.1470.13720.02560.03320.1712-0.02060.154321.396116.463576.4604
167.76064.2644-5.58287.9397-4.71625.08680.00030.91590.4033-0.13120.1970.1996-0.1423-0.3612-0.19730.0682-0.0328-0.04230.25980.03850.061528.449326.357157.3516
178.2394-2.12662.18681.0674-0.87280.7876-0.2752-0.0970.60550.01830.0951-0.1735-0.0915-0.06370.180.13750.00280.00110.1627-0.00650.134961.696433.963154.3344
183.31181.69071.12166.46451.29795.9038-0.105-0.39370.16230.8195-0.0739-0.1015-0.361-0.06460.17890.260.01940.01490.2032-0.04720.180282.914531.041467.0482
196.8905-1.39690.02261.3531-0.82620.6439-0.0490.1462-0.2872-0.1212-0.0235-0.04190.08940.04150.07260.0437-0.0619-0.01880.19130.02360.093865.146827.192256.4141
206.2777-0.99761.11110.195-0.06670.8150.04690.3604-0.0067-0.0417-0.0734-0.01870.04420.06720.02650.1563-0.01730.00050.20270.02090.147569.828828.977247.6869
214.02190.449-2.90110.27670.565617.0491-0.10230.1995-0.1097-0.19250.0525-0.01460.3238-0.08110.04980.2358-0.0083-0.02110.1315-0.03220.152227.316633.385260.9331
223.46832.26713.90645.25122.43724.5923-0.2362-0.6710.37041.2387-0.16930.014-0.1793-1.0160.40550.6424-0.0221-0.05030.4864-0.04480.287620.476925.286279.6597
231.5722-0.3021.13552.0703-3.649610.4839-0.12650.0348-0.01180.0457-0.0241-0.1445-0.10040.0290.15060.0624-0.01440.01070.044-0.0480.139753.64051.291472.0656
245.6604-2.39659.40529.3728-4.574315.7093-0.081-0.29910.0686-0.19860.06210.3161-0.0729-0.50840.01890.1312-0.0034-0.03420.1484-0.00790.197153.77-2.069967.6018
2510.6351-0.99451.97252.40411.2411.2467-0.6184-0.9209-0.6211-0.15480.61470.2497-0.24740.14270.00360.05810.02370.00470.33770.01250.203850.3529-3.955363.9137
266.4319-2.39313.88021.5509-3.34557.98790.1382-0.2071-0.6009-0.03340.06570.13020.06950.0801-0.20390.1870.0152-0.03920.1848-0.07250.235153.8709-12.447866.6085
273.0722-1.8431-3.710911.1537-3.41549.6576-0.04510.588-0.4822-0.86830.0445-0.03661.02840.29440.00070.20.2498-0.12460.8827-0.56090.416955.7738-10.570658.0555
283.5999-2.7508-2.15142.57121.65622.1053-0.0915-0.3489-0.43310.19860.23160.05850.08780.345-0.140.04-0.0015-0.08050.22150.00650.395758.02863.585683.4487
298.15374.05442.47046.48982.06117.5938-0.18980.17920.2576-0.4767-0.17590.4824-0.4479-0.63920.36560.06810.0861-0.00980.22390.03360.135129.1255-7.230266.9618
306.06033.5430.86644.92821.1741.13090.01850.1416-0.34950.23290.0449-0.20230.2554-0.0427-0.06350.07410.0178-0.01470.1923-0.00170.058839.6906-5.740576.0844
310.52241.08581.14698.76841.41662.67510.308-0.2405-0.21750.59390.1748-0.22620.7034-0.6091-0.48280.2501-0.0696-0.08780.35540.09320.172430.8043-10.61974.9953
323.6532.34584.44794.5384.106210.00510.0528-0.19640.04720.1589-0.11550.07540.1682-0.33260.06270.11560.01590.04840.17240.01210.137725.3291-5.352777.8835
331.62890.7342-3.38090.335-1.53327.0484-0.0290.0866-0.0268-0.03330.0330.0150.1161-0.2124-0.00390.27730.00520.0080.2375-0.03860.303147.1774-3.77692.8895
342.62171.1051-1.25931.6616-3.46057.8586-0.091-0.0259-0.13150.0029-0.0726-0.1302-0.09870.20690.16360.10240.0005-0.01230.0617-0.04360.162255.63584.233378.3895
353.3944-1.93013.58135.7105-2.481716.579-0.12520.15960.0407-0.07110.0033-0.0056-0.314-0.24030.12190.0427-0.0560.0040.11910.01210.144155.743111.95557.5042
363.8997-2.02162.15783.98850.43877.63020.1403-0.2229-0.0069-0.1407-0.17650.2566-0.4433-0.0730.03620.0544-0.0127-0.0280.0961-0.03670.190554.15879.640478.5995
373.234-0.3874-4.16641.83530.43510.3158-0.0092-0.09660.00980.10770.04110.0811-0.25790.0095-0.03190.10250.0029-0.02220.1047-0.00860.142660.503217.156372.5599
386.56782.55134.42014.75373.29627.41280.03240.31580.03130.07320.1699-0.22740.1030.3743-0.20230.01120.03190.01340.1190.03120.082364.5288.939263.375
3910.4198-2.1607-2.69050.52950.74461.21390.09990.2854-0.22920.0128-0.05480.0292-0.0312-0.0425-0.04510.1164-0.0161-0.00420.1173-0.00250.145327.6045-1.981454.1881
409.96730.1280.015813.1545-1.64680.210.1535-0.64090.06020.675-0.12850.2309-0.0828-0.013-0.02490.22980.01530.00880.251700.23697.33871.58866.8717
416.6326-1.91611.31312.264-0.31341.40590.0853-0.06010.369-0.1546-0.18490.0827-0.011-0.05550.09970.0267-0.02740.0120.1452-0.08810.073823.25415.194655.486
4211.33973.1478-1.41761.2401-1.23682.51130.21760.48520.29270.0129-0.03370.1874-0.03080.0724-0.1840.18430.0324-0.0340.3024-0.07230.138824.50172.433546.6677
437.4321.76995.78021.5412-0.76268.973-0.42380.3963-0.2768-0.33330.2909-0.2398-0.26070.10050.13290.4912-0.14240.07080.23960.0060.106162.2613-2.654958.5142
442.4538-2.7041-1.69743.08822.407713.269-0.1675-0.2770.2340.32120.3348-0.33260.19910.6214-0.16730.2440.0009-0.10140.18570.00040.240169.02135.891377.2602
Refinement TLS group
IDRefine-IDRefine TLS-IDSelectionAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1ALLAAA3 - 11
2X-RAY DIFFRACTION2ALLAAA12 - 30
3X-RAY DIFFRACTION3ALLAAA31 - 45
4X-RAY DIFFRACTION4ALLAAA46 - 54
5X-RAY DIFFRACTION5ALLAAA55 - 86
6X-RAY DIFFRACTION6ALLAAA87 - 123
7X-RAY DIFFRACTION7ALLAAA124 - 136
8X-RAY DIFFRACTION8ALLAAA137 - 155
9X-RAY DIFFRACTION9ALLAAA156 - 170
10X-RAY DIFFRACTION10ALLAAA171 - 182
11X-RAY DIFFRACTION11ALLBBB0 - 5
12X-RAY DIFFRACTION12ALLBBB6 - 26
13X-RAY DIFFRACTION13ALLBBB27 - 34
14X-RAY DIFFRACTION14ALLBBB35 - 51
15X-RAY DIFFRACTION15ALLBBB52 - 66
16X-RAY DIFFRACTION16ALLBBB67 - 90
17X-RAY DIFFRACTION17ALLBBB91 - 106
18X-RAY DIFFRACTION18ALLBBB107 - 112
19X-RAY DIFFRACTION19ALLBBB113 - 165
20X-RAY DIFFRACTION20ALLBBB166 - 190
21X-RAY DIFFRACTION21ALLCCC5 - 13
22X-RAY DIFFRACTION22ALLCCC14 - 18
23X-RAY DIFFRACTION23ALLDDD3 - 20
24X-RAY DIFFRACTION24ALLDDD21 - 25
25X-RAY DIFFRACTION25ALLDDD26 - 35
26X-RAY DIFFRACTION26ALLDDD36 - 45
27X-RAY DIFFRACTION27ALLDDD46 - 57
28X-RAY DIFFRACTION28ALLDDD58 - 87
29X-RAY DIFFRACTION29ALLDDD88 - 110
30X-RAY DIFFRACTION30ALLDDD111 - 147
31X-RAY DIFFRACTION31ALLDDD148 - 169
32X-RAY DIFFRACTION32ALLDDD170 - 182
33X-RAY DIFFRACTION33ALLEEE0 - 5
34X-RAY DIFFRACTION34ALLEEE6 - 13
35X-RAY DIFFRACTION35ALLEEE14 - 28
36X-RAY DIFFRACTION36ALLEEE29 - 34
37X-RAY DIFFRACTION37ALLEEE35 - 53
38X-RAY DIFFRACTION38ALLEEE54 - 91
39X-RAY DIFFRACTION39ALLEEE92 - 106
40X-RAY DIFFRACTION40ALLEEE107 - 112
41X-RAY DIFFRACTION41ALLEEE113 - 172
42X-RAY DIFFRACTION42ALLEEE173 - 190
43X-RAY DIFFRACTION43ALLFFF5 - 11
44X-RAY DIFFRACTION44ALLFFF12 - 18

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