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- PDB-6pte: Crystal Structure of ILNAMITKI peptide bound to HLA-A2 -

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Basic information

Entry
Database: PDB / ID: 6pte
TitleCrystal Structure of ILNAMITKI peptide bound to HLA-A2
Components
  • Beta-2-microglobulinBeta-2 microglobulin
  • HAUS augmin-like complex subunit 3
  • HLA class I histocompatibility antigen, A-2 alpha chain
KeywordsIMMUNE SYSTEM / MHC class I / HLA A2 / immune system complex / neoantigen
Function / homology
Function and homology information


HAUS complex / regulation of microtubule nucleation / mitotic spindle microtubule / centrosome cycle / T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-dependent / positive regulation of memory T cell activation / TAP complex binding / antigen processing and presentation of exogenous peptide antigen via MHC class I / Golgi medial cisterna ...HAUS complex / regulation of microtubule nucleation / mitotic spindle microtubule / centrosome cycle / T cell mediated cytotoxicity directed against tumor cell target / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-dependent / positive regulation of memory T cell activation / TAP complex binding / antigen processing and presentation of exogenous peptide antigen via MHC class I / Golgi medial cisterna / positive regulation of CD8-positive, alpha-beta T cell activation / CD8-positive, alpha-beta T cell activation / positive regulation of CD8-positive, alpha-beta T cell proliferation / CD8 receptor binding / spindle assembly / endoplasmic reticulum exit site / beta-2-microglobulin binding / TAP binding / protection from natural killer cell mediated cytotoxicity / Loss of Nlp from mitotic centrosomes / Loss of proteins required for interphase microtubule organization from the centrosome / Recruitment of mitotic centrosome proteins and complexes / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent / antigen processing and presentation of endogenous peptide antigen via MHC class Ib / Recruitment of NuMA to mitotic centrosomes / Anchoring of the basal body to the plasma membrane / detection of bacterium / T cell receptor binding / AURKA Activation by TPX2 / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / early endosome lumen / positive regulation of receptor binding / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / negative regulation of receptor binding / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / cellular response to iron(III) ion / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / response to molecule of bacterial origin / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / mitotic spindle / cellular response to iron ion / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / MHC class I protein complex / multicellular organismal-level iron ion homeostasis / positive regulation of T cell mediated cytotoxicity / peptide antigen assembly with MHC class II protein complex / negative regulation of neurogenesis / MHC class II protein complex / positive regulation of receptor-mediated endocytosis / cellular response to nicotine / recycling endosome membrane / phagocytic vesicle membrane / specific granule lumen / peptide antigen binding / positive regulation of cellular senescence / antigen processing and presentation of exogenous peptide antigen via MHC class II / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / Interferon gamma signaling / positive regulation of immune response / Regulation of PLK1 Activity at G2/M Transition / negative regulation of epithelial cell proliferation / Modulation by Mtb of host immune system / positive regulation of T cell activation / Interferon alpha/beta signaling / positive regulation of type II interferon production / sensory perception of smell / negative regulation of neuron projection development / E3 ubiquitin ligases ubiquitinate target proteins / tertiary granule lumen / DAP12 signaling / MHC class II protein complex binding / late endosome membrane / T cell differentiation in thymus / positive regulation of protein binding / ER-Phagosome pathway / antibacterial humoral response / iron ion transport / T cell receptor signaling pathway / protein refolding / early endosome membrane / protein homotetramerization / intracellular iron ion homeostasis / amyloid fibril formation / learning or memory / defense response to Gram-positive bacterium / immune response / Amyloid fiber formation / cell division
Similarity search - Function
HAUS augmin-like complex subunit 3 / HAUS augmin-like complex subunit 3, N-terminal / HAUS augmin-like complex subunit 3 / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin ...HAUS augmin-like complex subunit 3 / HAUS augmin-like complex subunit 3, N-terminal / HAUS augmin-like complex subunit 3 / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / 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 / Immunoglobulins / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
HLA class I histocompatibility antigen, A alpha chain / HLA class I histocompatibility antigen, A alpha chain / Beta-2-microglobulin / HAUS augmin-like complex subunit 3
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.901 Å
AuthorsSmith, A.R. / Arbuiso, A. / Keller, G.L.J. / Baker, B.M.
CitationJournal: Front Immunol / Year: 2019
Title: Structure Based Prediction of Neoantigen Immunogenicity.
Authors: Riley, T.P. / Keller, G.L.J. / Smith, A.R. / Davancaze, L.M. / Arbuiso, A.G. / Devlin, J.R. / Baker, B.M.
History
DepositionJul 15, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 4, 2019Provider: repository / Type: Initial release
Revision 1.1Sep 18, 2019Group: Data collection / Derived calculations
Category: pdbx_struct_assembly_gen / pdbx_struct_assembly_prop
Item: _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.value
Revision 1.2Oct 9, 2019Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.3Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HLA class I histocompatibility antigen, A-2 alpha chain
B: Beta-2-microglobulin
C: HAUS augmin-like complex subunit 3
E: HLA class I histocompatibility antigen, A-2 alpha chain
F: Beta-2-microglobulin
D: HAUS augmin-like complex subunit 3
H: HLA class I histocompatibility antigen, A-2 alpha chain
I: Beta-2-microglobulin
G: HAUS augmin-like complex subunit 3
K: HLA class I histocompatibility antigen, A-2 alpha chain
L: Beta-2-microglobulin
J: HAUS augmin-like complex subunit 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)180,20128
Polymers179,00312
Non-polymers1,19716
Water27,3111516
1
A: HLA class I histocompatibility antigen, A-2 alpha chain
B: Beta-2-microglobulin
C: HAUS augmin-like complex subunit 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,0507
Polymers44,7513
Non-polymers2994
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5370 Å2
ΔGint-35 kcal/mol
Surface area18840 Å2
MethodPISA
2
E: HLA class I histocompatibility antigen, A-2 alpha chain
F: Beta-2-microglobulin
D: HAUS augmin-like complex subunit 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,0507
Polymers44,7513
Non-polymers2994
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5350 Å2
ΔGint-35 kcal/mol
Surface area18790 Å2
MethodPISA
3
H: HLA class I histocompatibility antigen, A-2 alpha chain
I: Beta-2-microglobulin
G: HAUS augmin-like complex subunit 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,0507
Polymers44,7513
Non-polymers2994
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5390 Å2
ΔGint-37 kcal/mol
Surface area18720 Å2
MethodPISA
4
K: HLA class I histocompatibility antigen, A-2 alpha chain
L: Beta-2-microglobulin
J: HAUS augmin-like complex subunit 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,0507
Polymers44,7513
Non-polymers2994
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5360 Å2
ΔGint-36 kcal/mol
Surface area18730 Å2
MethodPISA
Unit cell
Length a, b, c (Å)58.429, 84.106, 85.363
Angle α, β, γ (deg.)90.010, 90.060, 90.020
Int Tables number1
Space group name H-MP1
Symmetry operation#1: x,y,z

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Components

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Protein , 2 types, 8 molecules AEHKBFIL

#1: Protein
HLA class I histocompatibility antigen, A-2 alpha chain / MHC class I antigen A*2


Mass: 31854.203 Da / Num. of mol.: 4 / Fragment: UNP residues 25-299
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-A, HLAA / Plasmid: pHN1 / Production host: Escherichia coli (E. coli) / Strain (production host): XL1-Blue / References: UniProt: P01892, UniProt: P04439*PLUS
#2: Protein
Beta-2-microglobulin / Beta-2 microglobulin


Mass: 11879.356 Da / Num. of mol.: 4 / Fragment: UNP residues 21-119
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Plasmid: pHN1 / Production host: Escherichia coli (E. coli) / Strain (production host): XL1-Blue / References: UniProt: P61769

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Protein/peptide , 1 types, 4 molecules CDGJ

#3: Protein/peptide
HAUS augmin-like complex subunit 3


Mass: 1017.306 Da / Num. of mol.: 4 / Fragment: UNP residues 154-162 / Source method: obtained synthetically
Details: Processed peptide fragment from full-length protein containing SNP, derived from 2098 MEL cell line
Source: (synth.) Homo sapiens (human) / References: UniProt: Q68CZ6

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Non-polymers , 3 types, 1532 molecules

#4: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C3H8O3
#5: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1516 / 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: 2.34 Å3/Da / Density % sol: 47.51 %
Crystal growTemperature: 296 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 20% v/v PEG3350, 100 mM HEPES, pH 7.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 18, 2019
RadiationMonochromator: Double crystal cryo-cooled Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 1.901→41.822 Å / Num. obs: 123624 / % possible obs: 96.7 % / Redundancy: 3.2 % / Biso Wilson estimate: 15.11 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.096 / Rpim(I) all: 0.062 / Rrim(I) all: 0.114 / Net I/σ(I): 10.8
Reflection shellResolution: 1.901→1.97 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.29 / Mean I/σ(I) obs: 4.33 / Num. unique obs: 11774 / CC1/2: 0.902 / Rpim(I) all: 0.193 / Rrim(I) all: 0.35 / % possible all: 92.6

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Processing

Software
NameVersionClassification
PHENIX1.15.2_3472refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 1TVH

1tvh


Resolution: 1.901→41.822 Å / SU ML: 0.17 / Cross valid method: FREE R-VALUE / σ(F): 2 / Phase error: 18.89
RfactorNum. reflection% reflectionSelection details
Rfree0.1855 12476 10.1 %Random
Rwork0.1593 ---
obs0.162 123541 96.71 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 74.28 Å2 / Biso mean: 20.8491 Å2 / Biso min: 6.14 Å2
Refinement stepCycle: final / Resolution: 1.901→41.822 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12616 0 76 1516 14208
Biso mean--26.56 27.72 -
Num. residues----1536
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
1.9015-1.92310.2413820.2005330588
1.9231-1.94570.23653910.1863372295
1.9457-1.96940.2144140.175355695
1.9694-1.99440.21833910.173367695
1.9944-2.02060.18964060.1618368095
2.0206-2.04830.21384160.1665365195
2.0483-2.07750.20544120.1615362396
2.0775-2.10850.20634050.1697369696
2.1085-2.14150.20294380.1731365996
2.1415-2.17660.20193930.1656367696
2.1766-2.21410.20474030.1702372596
2.2141-2.25440.24600.1673366397
2.2544-2.29770.23574250.1716368697
2.2977-2.34460.18674210.1606372297
2.3446-2.39560.20054020.169368497
2.3956-2.45130.20784290.1666370997
2.4513-2.51260.20594210.1729375797
2.5126-2.58060.2284020.1708371897
2.5806-2.65650.21244360.1704378898
2.6565-2.74220.21754240.1659367998
2.7422-2.84020.2124000.1739379498
2.8402-2.95390.17754190.164374298
2.9539-3.08830.18134180.1669376198
3.0883-3.25110.1934250.1612377298
3.2511-3.45470.18064240.1646375099
3.4547-3.72120.15364250.1473377399
3.7212-4.09540.14674310.1348379699
4.0954-4.68740.13454430.1259377399
4.6874-5.90290.15224110.1387377999
5.9029-41.820.15784090.1554375097
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)
11.52771337503-0.6447677563670.05251512641962.13166843747-0.1301262145691.085952193020.08039935922280.0916674203064-0.257596326607-0.167309407111-0.0716480104577-0.1014705362480.1490348611980.0357279265628-0.006138424202010.103331937103-0.0144529703480.006658552243070.096128019113-0.01248493119020.210561974272-15.234630161-20.5768098-19.7120074165
21.70088477024-0.685239799551-0.02211862425751.1576885207-0.1759163207990.384619307149-0.0624524293231-0.0816529322215-0.130195070150.1071775098580.05064534970410.0175745973090.00136720294299-0.05797871225130.01687097043350.0836992492886-0.00617484122629-0.008230390910840.1018684155190.009844812620790.103011933589-26.3053584007-12.5428633275-12.0468873725
32.509184238290.80709071305-0.0315498281770.8897123695730.02079207281830.024495814647-0.0100841203347-0.167062227754-0.423739991785-0.0906485052081-0.0195612653995-0.1057201598440.0303286020901-0.0198626458553-0.01385284758180.180748791063-0.00664841813405-0.005276487761170.1129618593780.0409123136620.1386443514211.00973101826-15.5180897985-8.66631126692
41.342359445430.1045214365710.05177869813411.802583045670.4418246043270.8800231698830.0137526454271-0.09651791701690.06877746646120.258736894432-0.09494014359480.1014438227830.00458683856082-0.02990423299420.06683006343620.123099368526-0.007076936145980.009943637127850.08667847902470.0005792224885130.06104121773958.71421281062-0.371992529159-9.29186985385
53.4586683874-2.77002032619-1.550729546623.92732372635-0.4199374606914.980844079110.101049408859-0.435378102296-0.08419244482580.103409040318-0.01269982886290.29130426697-0.0264115039022-0.346838994225-0.08039965215750.1559234985030.006282368322510.005261459483770.1444124217620.004949024606450.129266168516-15.02154517512.17625691981-24.4964221166
61.75179123899-0.00300285531066-0.4728050797451.57341705533-0.08131233970742.28591179374-0.06941971737570.069682413155-0.1147258492230.135453767769-0.0239538307399-0.1874325030690.0454632912190.2446479610580.05547483040080.09230585012610.0222140976701-0.003577184587820.123211460004-0.02939025805150.1603014610578.9005309519-10.9138855011-24.4620447463
75.50492339538-2.80168831788-1.15991935252.227340038970.8558287263171.635324806650.01621090552880.196045030354-0.240957521157-0.0279957165019-0.0661599735372-0.07531834192670.129937208617-0.07334998275640.04533239614420.09555332455580.0129026841778-0.01233418225640.0823624809713-0.00921256138020.1200395185420.649031106347-10.7846783268-25.1462725197
86.89925996222-3.45263912425-5.17552543911.830224277222.529822614013.919266651780.108332785810.363999507821-0.228505505055-0.187826327047-0.2087907725590.0798768489494-0.016149443898-0.04746878651360.08668158749640.1622147323160.0276678786595-0.0009748425295910.159977386401-0.004880867369680.102991588685-6.91721155737-7.36685494924-32.1364018538
94.503964939012.39106224948-4.071619461671.79424931961-2.211636197833.68500165519-0.4730630986650.733360649236-0.467047868232-0.7327072034980.0883078399443-0.1614451891640.75603754206-0.4037148015210.2931256403260.264547198770.01797044103140.03588301422730.283016585755-0.0869061235230.2352350261220.689836879939-14.8930009431-36.6206604039
105.47453114294-1.2076046075-1.594877912571.313494423320.2929851512371.75469002865-0.02662164667580.00680435050338-0.02385113332170.02185648737680.0546784111494-0.006492368950760.1768719915830.080795631193-0.07096572268880.108015720985-0.00455256448124-0.0417215046610.0873300211548-0.008732327331660.117846806234-6.60177671902-11.573153928-22.6479809601
114.71404804421-1.422101633150.2534062376411.911016223780.6058505784758.84661992460.127582591470.3952988162390.485547197745-0.185301073884-0.0158174754699-0.362290542466-0.2877697030810.548005040259-0.2189454886650.1880129146270.02924512323010.09139723438950.427111014432-0.06742495894670.26196541123216.0435632252-9.52402034966-35.6329719882
123.36949370929-0.78402098246-0.6435151876890.1820617983770.1496371966560.1226909671910.3819225965650.693264642670.244074837572-0.435917731219-0.279759478491-0.141930137892-0.0654363029585-0.0728552907672-0.08449132033990.1965278662610.06828175577930.03865275210930.2516130648550.03670818229720.11645319841-4.53542274015-1.5219502518-33.8131854831
134.602288689850.9317044095583.17998484361.247768527730.1648360075254.5157518998-0.2230279533440.1450502413780.0840758728965-0.1535650823240.169749550758-0.0794849400342-0.344123553540.08794227001550.06173888211590.14875425791-0.009040484851020.03519367701230.156612103254-0.01111791216190.1296212754158.99346700797-3.12856802747-28.5477281054
148.3238437254-6.916845248271.906406288097.71806206843-2.243571547722.595152769490.116396111422-0.136116060429-0.521515859351-0.190422110028-0.03850043405010.09978054194760.0704603635214-0.205683473682-0.05179848081830.136129312395-0.019306327825-0.005882532119050.1127862060360.02600381693360.193133609507-28.8906752177-19.2626002706-12.9941868676
151.325760718660.5771686246870.01098356060362.09085378346-0.229264981950.536565825375-0.05120453543740.03951460534250.119794017437-0.03301678065910.0336747986667-0.22041797458-0.0511950179766-0.07947192909180.02177538184620.08973616609210.0164574929276-0.009192364321660.105667317219-0.004713522176830.103790553871-50.9750440053-45.5282445143-20.7294206063
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426.28690051493-1.543035218632.597393339761.38296533072-0.9798883074992.58587949661-0.0633699215680.1441560537230.108941167967-0.0346605569936-0.005996942088330.0965503011044-0.227245847965-0.2158198429540.07660582294810.112938476180.02057890612150.02944268014830.1259030105130.01360146617290.141878888654-52.0646497074-33.2206382836-69.4368693432
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493.327166252883.939494202330.7864765311084.706699574280.755175065720.925796685721-0.1308370594540.0362249533949-0.0423466373876-0.04830562389280.1425259266470.009867302033970.02340421856170.04905226532260.008366583324430.120113602062-0.006251731694180.01587285877690.112956458969-0.002501087121910.110086315881-17.238888513512.7588857314-52.8443219435
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587.860201268715.690697679552.437058961976.935304526912.555493291163.102454757620.05012419023290.0426112993305-0.4897308298950.1943188044020.100791679679-0.1556019469260.174576440030.316668929565-0.1178104237450.1262510757230.0008267512465710.0294895589910.12140713917-0.01203168912610.1046538172865.16998966154-4.64603468052-64.2733144078
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 56 )
2X-RAY DIFFRACTION2chain 'A' and (resid 57 through 162 )
3X-RAY DIFFRACTION3chain 'A' and (resid 163 through 197 )
4X-RAY DIFFRACTION4chain 'A' and (resid 198 through 275 )
5X-RAY DIFFRACTION5chain 'B' and (resid 1 through 6 )
6X-RAY DIFFRACTION6chain 'B' and (resid 7 through 20 )
7X-RAY DIFFRACTION7chain 'B' and (resid 21 through 31 )
8X-RAY DIFFRACTION8chain 'B' and (resid 32 through 42 )
9X-RAY DIFFRACTION9chain 'B' and (resid 43 through 52 )
10X-RAY DIFFRACTION10chain 'B' and (resid 53 through 72 )
11X-RAY DIFFRACTION11chain 'B' and (resid 73 through 78 )
12X-RAY DIFFRACTION12chain 'B' and (resid 79 through 91 )
13X-RAY DIFFRACTION13chain 'B' and (resid 92 through 100 )
14X-RAY DIFFRACTION14chain 'C' and (resid 1 through 9 )
15X-RAY DIFFRACTION15chain 'E' and (resid 1 through 174 )
16X-RAY DIFFRACTION16chain 'E' and (resid 175 through 275 )
17X-RAY DIFFRACTION17chain 'F' and (resid 1 through 6 )
18X-RAY DIFFRACTION18chain 'F' and (resid 7 through 12 )
19X-RAY DIFFRACTION19chain 'F' and (resid 13 through 20 )
20X-RAY DIFFRACTION20chain 'F' and (resid 21 through 31 )
21X-RAY DIFFRACTION21chain 'F' and (resid 32 through 42 )
22X-RAY DIFFRACTION22chain 'F' and (resid 43 through 52 )
23X-RAY DIFFRACTION23chain 'F' and (resid 53 through 72 )
24X-RAY DIFFRACTION24chain 'F' and (resid 73 through 78 )
25X-RAY DIFFRACTION25chain 'F' and (resid 79 through 91 )
26X-RAY DIFFRACTION26chain 'F' and (resid 92 through 100 )
27X-RAY DIFFRACTION27chain 'D' and (resid 1 through 9 )
28X-RAY DIFFRACTION28chain 'H' and (resid 1 through 37 )
29X-RAY DIFFRACTION29chain 'H' and (resid 38 through 56 )
30X-RAY DIFFRACTION30chain 'H' and (resid 57 through 85 )
31X-RAY DIFFRACTION31chain 'H' and (resid 86 through 103 )
32X-RAY DIFFRACTION32chain 'H' and (resid 104 through 118 )
33X-RAY DIFFRACTION33chain 'H' and (resid 119 through 174 )
34X-RAY DIFFRACTION34chain 'H' and (resid 175 through 197 )
35X-RAY DIFFRACTION35chain 'H' and (resid 198 through 275 )
36X-RAY DIFFRACTION36chain 'I' and (resid 1 through 12 )
37X-RAY DIFFRACTION37chain 'I' and (resid 13 through 20 )
38X-RAY DIFFRACTION38chain 'I' and (resid 21 through 31 )
39X-RAY DIFFRACTION39chain 'I' and (resid 32 through 42 )
40X-RAY DIFFRACTION40chain 'I' and (resid 43 through 52 )
41X-RAY DIFFRACTION41chain 'I' and (resid 53 through 62 )
42X-RAY DIFFRACTION42chain 'I' and (resid 63 through 72 )
43X-RAY DIFFRACTION43chain 'I' and (resid 73 through 78 )
44X-RAY DIFFRACTION44chain 'I' and (resid 79 through 91 )
45X-RAY DIFFRACTION45chain 'I' and (resid 92 through 100 )
46X-RAY DIFFRACTION46chain 'G' and (resid 1 through 9 )
47X-RAY DIFFRACTION47chain 'K' and (resid 1 through 174 )
48X-RAY DIFFRACTION48chain 'K' and (resid 175 through 275 )
49X-RAY DIFFRACTION49chain 'L' and (resid 1 through 12 )
50X-RAY DIFFRACTION50chain 'L' and (resid 13 through 20 )
51X-RAY DIFFRACTION51chain 'L' and (resid 21 through 31 )
52X-RAY DIFFRACTION52chain 'L' and (resid 32 through 42 )
53X-RAY DIFFRACTION53chain 'L' and (resid 43 through 52 )
54X-RAY DIFFRACTION54chain 'L' and (resid 53 through 72 )
55X-RAY DIFFRACTION55chain 'L' and (resid 73 through 78 )
56X-RAY DIFFRACTION56chain 'L' and (resid 79 through 91 )
57X-RAY DIFFRACTION57chain 'L' and (resid 92 through 100 )
58X-RAY DIFFRACTION58chain 'J' and (resid 1 through 9 )

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