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- PDB-7ssh: Single chain trimer HLA-A*02:01 (Y108A) with HPV.16 E7 peptide YM... -

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Basic information

Entry
Database: PDB / ID: 7ssh
TitleSingle chain trimer HLA-A*02:01 (Y108A) with HPV.16 E7 peptide YMLDLQPETTDLYC
Components
  • Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
  • VHH
KeywordsIMMUNE SYSTEM / HLA / VHH / HPV / SCT
Function / homology
Function and homology information


symbiont-mediated suppression of host JAK-STAT cascade via inhibition of host IRF9 activity / symbiont-mediated suppression of host cGAS-STING signal transduction / symbiont-mediated perturbation of host transcription / symbiont-mediated perturbation of host cell cycle progression / symbiont-mediated suppression of host apoptosis / positive regulation of actin filament polymerization / cadmium ion binding / symbiont-mediated perturbation of host cell cycle G1/S transition checkpoint / antigen processing and presentation of peptide antigen via MHC class I / viral process ...symbiont-mediated suppression of host JAK-STAT cascade via inhibition of host IRF9 activity / symbiont-mediated suppression of host cGAS-STING signal transduction / symbiont-mediated perturbation of host transcription / symbiont-mediated perturbation of host cell cycle progression / symbiont-mediated suppression of host apoptosis / positive regulation of actin filament polymerization / cadmium ion binding / symbiont-mediated perturbation of host cell cycle G1/S transition checkpoint / antigen processing and presentation of peptide antigen via MHC class I / viral process / lumenal side of endoplasmic reticulum membrane / ER to Golgi transport vesicle membrane / MHC class I protein complex / phagocytic vesicle membrane / recycling endosome membrane / early endosome membrane / DNA-binding transcription factor binding / host cell cytoplasm / immune response / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / DNA-binding transcription factor activity / protein domain specific binding / DNA-templated transcription / host cell nucleus / cell surface / DNA binding / extracellular region / zinc ion binding
Similarity search - Function
Papillomavirus E7 / E7 protein, Early protein / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / 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 ...Papillomavirus E7 / E7 protein, Early protein / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / 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 / Immunoglobulin-like fold
Similarity search - Domain/homology
MHC class I antigen / Protein E7 / Beta-2-microglobulin
Similarity search - Component
Biological speciesHuman papillomavirus type 16
Pongo pygmaeus (Bornean orangutan)
Homo sapiens (human)
Lama glama (llama)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.73 Å
AuthorsFinton, K.A.K. / Rupert, P.B.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Cancer Institute (NIH/NCI) United States
CitationJournal: Front Immunol / Year: 2023
Title: Effects of HLA single chain trimer design on peptide presentation and stability.
Authors: Finton, K.A.K. / Rupert, P.B. / Friend, D.J. / Dinca, A. / Lovelace, E.S. / Buerger, M. / Rusnac, D.V. / Foote-McNabb, U. / Chour, W. / Heath, J.R. / Campbell, J.S. / Pierce, R.H. / Strong, R.K.
History
DepositionNov 11, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 23, 2022Provider: repository / Type: Initial release
Revision 1.1May 31, 2023Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
B: VHH
C: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
D: VHH
E: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
F: VHH
G: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
H: VHH
I: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
J: VHH
K: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
L: VHH
M: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
N: VHH
O: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
P: VHH
Q: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
R: VHH
S: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
T: VHH
U: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
V: VHH
W: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
X: VHH
Y: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
Z: VHH
a: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
b: VHH
c: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
d: VHH
e: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
f: VHH


Theoretical massNumber of molelcules
Total (without water)972,02832
Polymers972,02832
Non-polymers00
Water5,080282
1
A: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
B: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
D: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
F: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
H: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
I: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
J: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
K: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
L: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
M: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
N: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
O: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
P: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
Q: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
R: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
S: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
T: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
11
U: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
V: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
12
W: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
X: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
13
Y: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
Z: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
14
a: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
b: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
15
c: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
d: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
16
e: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera
f: VHH


Theoretical massNumber of molelcules
Total (without water)60,7522
Polymers60,7522
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)117.681, 118.924, 274.991
Angle α, β, γ (deg.)77.598, 77.597, 89.947
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z

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Components

#1: Protein
Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera


Mass: 48214.949 Da / Num. of mol.: 16 / Mutation: Y108A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human papillomavirus type 16, (gene. exp.) Pongo pygmaeus (Bornean orangutan), (gene. exp.) Homo sapiens (human)
Gene: E7, B2M, HLA-A / Production host: Homo sapiens (human)
References: UniProt: P03129, UniProt: P16213, UniProt: A0A678ZGP6
#2: Antibody
VHH


Mass: 12536.822 Da / Num. of mol.: 16
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Homo (humans)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 282 / Source method: isolated from a natural source / Formula: H2O
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: 3.77 Å3/Da / Density % sol: 70.67 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop
Details: 200 mM NaCl, 100 mM HEPES, pH 7.0, 1.45 M (NH4)2SO4

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Data collection

DiffractionMean temperature: 93 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 13, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.73→50 Å / Num. obs: 331873 / % possible obs: 89.7 % / Redundancy: 2.3 % / Biso Wilson estimate: 48.77 Å2 / CC1/2: 0.986 / Net I/σ(I): 15.9
Reflection shellResolution: 2.73→2.83 Å / Mean I/σ(I) obs: 2.33 / Num. unique obs: 28511 / CC1/2: 0.51

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Processing

SoftwareName: PHENIX / Version: 1.19.1_4122 / Classification: refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7SQP

7sqp


Resolution: 2.73→49.19 Å / SU ML: 0.4164 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 29.7146
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2942 -5.11 %
Rwork0.2531 314740 -
obs0.2552 331873 88.26 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 55.94 Å2
Refinement stepCycle: LAST / Resolution: 2.73→49.19 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms56601 0 0 282 56883
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003958052
X-RAY DIFFRACTIONf_angle_d0.523879195
X-RAY DIFFRACTIONf_chiral_restr0.04138560
X-RAY DIFFRACTIONf_plane_restr0.004310308
X-RAY DIFFRACTIONf_dihedral_angle_d4.63938267
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.73-2.760.34833470.33475894X-RAY DIFFRACTION49.68
2.76-2.80.34595590.316810443X-RAY DIFFRACTION87.94
2.8-2.830.36946700.31610522X-RAY DIFFRACTION88.99
2.83-2.870.34265830.307110560X-RAY DIFFRACTION89.12
2.87-2.910.33365310.300510636X-RAY DIFFRACTION89.16
2.91-2.940.36075050.291410540X-RAY DIFFRACTION88.56
2.94-2.990.33465920.28710605X-RAY DIFFRACTION88.98
2.99-3.030.31076220.287910643X-RAY DIFFRACTION90.09
3.03-3.080.34615350.29210727X-RAY DIFFRACTION90.42
3.08-3.130.34416660.295410873X-RAY DIFFRACTION91.35
3.13-3.180.34255680.290810897X-RAY DIFFRACTION92.03
3.18-3.240.31896390.274710955X-RAY DIFFRACTION92.49
3.24-3.30.33355710.271911015X-RAY DIFFRACTION92.53
3.3-3.370.30176320.258810914X-RAY DIFFRACTION92.45
3.37-3.440.30236340.254110901X-RAY DIFFRACTION92.04
3.44-3.520.30455450.25911026X-RAY DIFFRACTION92.41
3.52-3.610.27875970.255611031X-RAY DIFFRACTION92.2
3.61-3.710.29356480.252110790X-RAY DIFFRACTION91.04
3.71-3.820.28715460.244310646X-RAY DIFFRACTION89.51
3.82-3.940.27755610.233610536X-RAY DIFFRACTION89.04
3.94-4.080.26275970.23310796X-RAY DIFFRACTION90.35
4.08-4.250.25355270.225210652X-RAY DIFFRACTION89.74
4.25-4.440.26874720.225610688X-RAY DIFFRACTION89.2
4.44-4.670.28015670.223310551X-RAY DIFFRACTION88.55
4.67-4.970.25065980.222310418X-RAY DIFFRACTION88.05
4.97-5.350.29345670.23110396X-RAY DIFFRACTION87.36
5.35-5.890.26724630.250510258X-RAY DIFFRACTION85.84
5.89-6.740.31785090.260910469X-RAY DIFFRACTION87.62
6.74-8.480.27975770.236810368X-RAY DIFFRACTION87.13
8.48-49.190.26445100.25319990X-RAY DIFFRACTION84.04
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)
12.543787869711.52942935555-0.9945190271373.86477034962-1.553739181982.519658925310.237419070923-0.308243951973-0.1902864257040.485243670855-0.236510701633-0.479524666199-0.1150762875040.00319796777562-0.01408236309190.321469445311-0.0681402321789-0.1350510957920.2590454365950.07968032313080.302702979706-88.9076466158-66.1902483872-119.99993911
21.889213928721.01596493132-0.2481683040083.809714091210.000609832034051.75511774090.00559471000101-0.0166080490502-0.403398866861-0.251210802769-0.121323535145-0.6440988776370.2141576884110.07693306136540.1149582234360.278917755395-0.009741150162780.05329087751660.2210660746390.05840577178250.449275825565-79.4548879896-55.7497442754-133.822433681
31.13881169885-0.154799586027-0.70111998961.595990822140.5908897806021.25131014772-0.161785646971-0.4382561231370.1047507837930.6720454787650.0993395925568-0.8727925873640.005708129990440.8182034778010.2952192953841.19198884737-0.284007343792-0.9914148260910.6774174513371.033229591231.45219678725-65.9678588415-63.8648596255-106.4586545
43.16537457674-0.1219322584490.3332027083524.54644125577-0.1835920868113.512750924810.407763592476-0.702191510325-0.6620123865090.775184381827-0.349318660924-0.2082072808940.954264366536-0.344110534205-0.083678188160.340333794113-0.107015643519-0.02729101036850.3238693186860.1090388594560.490164621704-108.698675626-88.7712948721-118.788712079
57.50608255153-3.057565406772.666179755937.193439647232.552248427223.208410587940.01139567618130.07819393158690.2380704691470.0362558898802-0.03058910510410.111784028858-0.1832788535350.01736696614080.04731053554650.343078907316-0.08002494392140.02475616840670.112411086040.07359707883290.245856695409-105.683824777-79.5620248917-122.724754879
63.649240088771.337742548351.395453932875.279749340444.240112874133.524040127520.142193094881-0.06906116813970.03541424860770.331201548163-0.0528649614403-0.4000570616770.07277710536030.131524198858-0.1154406320290.301811761851-0.0767274504902-0.02897965886790.1561961001290.05917913879960.231543146687-104.748823241-85.5905276094-122.732778158
72.021322914691.0947118165-0.454014244112.78859129635-0.6228594505170.8406007493410.28018410075-0.215528496942-0.155254558620.447423871059-0.419798754295-0.173746086249-0.2416682915260.1361093087760.113612603070.363582903796-0.115358455531-0.08876795005380.2915100165580.1008998771530.306761483964-145.639075152-8.29192614689-122.805479469
81.713494877440.0935340108824-1.178273067776.057544928833.310424107325.52397777962-0.0211338973849-0.0516988856817-0.002040234690810.0758563642579-0.4080554294381.033370949730.319060218578-0.5280181091720.4290555921610.21179307301-0.0147869934391-0.006613918002190.335975466390.07981481063680.426708997862-148.2079397682.95096680305-137.780759262
91.623037585930.733553220006-1.087994847857.464834603861.233664189243.17556896385-0.1846067609450.238022065394-0.157182933564-0.6373265806030.197108922196-0.7270296031310.3147450505350.2130514961080.00156821320780.2942692203570.03892159272630.01278661518280.2815174622350.09327372805040.394651992181-133.4696054181.44173630615-143.322627025
101.611692507880.07259693497990.1570609459570.542710608855-0.07466320716091.370823810870.26700460271-0.839093456772-0.4966788535930.464545546152-0.471631114553-1.03853388902-0.1143186539090.43185673250.233827177950.643099530015-0.320452003272-0.4709530833790.8687679032660.404413836110.950028844569-128.328803684-3.88218547411-111.189732907
113.841553699890.9166624424160.1768968469984.164628042610.9047218885751.259719920950.66494852184-0.751856279163-0.7306607277980.790349018724-0.2588289775560.07499933368390.713735254884-0.294038947701-0.3213123247380.501962043771-0.131234617485-0.09035414528410.2840192549790.07819665153740.60237206195-166.127446286-31.9925806187-117.250814236
128.11923396258-1.56329125706-0.08843114574465.094110877491.859878746532.462868603240.377059221322-0.04835833740760.2545318857650.217786076465-0.4050585097170.330617604644-0.214139657725-0.1387244893940.04821901036980.337771911864-0.111803930747-0.03283213905590.1667496312670.0005104608479770.277090317301-163.68025196-22.6777242755-121.765851413
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1051.9334105154-0.720762074834-0.9851005617981.280104284971.867578875013.895235501690.347072878873-0.3893203438540.5394518014170.924074967367-0.5397299972251.20466399404-0.0121226457531-0.1450341403310.1133922175570.720166931185-0.2786520475830.286868246040.600563272293-0.129039360340.896109737337-104.414780004-107.4523894-240.704886596
1061.986750365150.0149851365661-0.8384659109130.4617045279240.2161114209251.86304162670.234868604736-0.2550834661020.1945897594550.315949855154-0.2334772716840.991953161161-0.0895849782238-0.6379877195660.02609463496430.815889283597-0.5731879540120.5240915477180.894840129507-0.2900147978521.13596774013-109.965736744-102.382978053-240.049902577
1075.10810448914-2.833803249532.510297644937.690419668491.402469243962.511347901990.0136979728053-0.9269749005080.1159025260690.7006161619620.3320563453690.600940671884-0.405050721261-1.06460272865-0.3638232939780.749058301669-0.2063690527020.3224803740190.7997623895260.03923827870470.623042348575-73.2601646611-74.3434839671-245.376833139
1082.491967068190.58154889799-0.9231047207482.33158187282-0.5406264018314.027597529030.2228576407120.04706587223-0.02704766159520.00113849838342-0.183896751313-0.1799536355830.266018968345-0.751863706694-0.06570362533920.465744865956-0.1903181007680.1557418036970.6137707151840.03960969402980.694530956671-72.3453963657-82.6083626839-254.551046149
1095.805826985723.190185289671.764021921278.577467997592.685029254536.249019117630.55339391221-0.490479506579-0.2761601664270.391286530212-0.0905093664156-0.3756195664140.02917537232040.0151973204411-0.4344958992780.290030680369-0.04788939525840.1373831658120.4649345425880.06547089386070.7125609201-65.9581284851-85.3177515207-253.504961698
1101.594240502710.72940449177-0.5779207290385.09937229204-2.698271197384.80712349810.119527567747-0.1052976895580.1990771261370.615940185633-0.637852016591-0.394591569621-0.0213965778504-0.1069877179420.5165142481230.344875822478-0.207170501746-0.0524658972780.666904716869-0.008248491192210.51046476648-75.4905426952-80.139445485-254.503928544
1110.643405018432-0.753615340346-0.1791401838271.005294157140.3639192433750.3737226155080.160521524894-0.0893383331056-0.212722185636-0.339017078423-0.542791540919-0.266429045273-0.127611453458-0.03012102112240.3470485104910.566829671931-0.2694170005380.1259416000640.6182189988460.12329797060.704645431581-153.931618457-41.5414277146-265.686974675
1121.67845114922-0.6176610178251.870573715191.988718605230.2891669860162.652175393370.352290345108-0.0793512168853-0.09420167401260.60592590607-0.528482658760.0004996236968190.08923102072270.07355007016270.2003592609640.570837872795-0.3792368251840.08045294749120.833323910954-0.1089734611090.558979731134-147.620884584-36.9771984217-248.911078895
1132.659952532380.8012883360040.13375328717.39370768722-2.868243531074.625350125080.002112943922850.06408259236740.15470448982-0.129890112683-0.5852045037720.0101250678393-0.1934710632960.4574002957880.5755891487890.323435303449-0.0396866106514-0.003695728667810.583212427875-0.1401018804020.365674236149-153.203708283-48.0496359523-269.845347276
1141.645812035460.86458099302-0.3400970782245.9235299684-1.937116669675.27228675383-0.06272082314180.08782330044740.56705572919-0.456573976524-0.09562107821630.615967362719-0.7370537697260.2965198780510.1677173000040.478013452438-0.107835587013-0.03720212111520.396752631123-0.1014301833560.711378718098-161.859165436-54.0771908572-275.429827954
1150.3126133027610.5120270176950.628969750341.281824992280.7211156315661.589878994270.38466913069-0.3363351958110.4235879907450.654503714588-0.4169653231130.6199483365720.316201931776-0.4141433784650.02308726675820.722710941237-0.5226206081870.3339671207610.859178679967-0.1194456559070.987278005689-165.201794956-46.2777941191-244.200988689
1164.5244307892-0.899938268489-3.570757329863.25031644044-1.458375577834.620310060320.494537799099-0.5593024201030.3989792214350.283863211814-0.1748660868240.2906657661210.226921653658-0.252204078926-0.320318337740.458562987644-0.2350375088440.1020843346980.517788792111-0.0284574442690.558006570576-127.930070471-13.9436536602-250.624147462
1176.64129148747-0.980949799453-6.320061094797.93103356699-3.923905200699.047605670940.0582282976211-1.62036021454-0.4402531882932.026870603150.1391530309140.1946255613220.5523057421661.25293836926-0.1682442480291.20620050647-0.2780745302260.269097968481.056821941620.4060802776440.823318086278-134.058892508-22.5707844235-235.234357393
1182.117938548510.1154083064220.3608408180583.76524456003-0.7522471949327.54264752710.333884448376-0.387369878763-0.2163099495820.07722059933560.1336150326660.0946944681999-0.0451233332537-0.85397742244-0.3885681734150.354436881396-0.1808358018670.03081609978450.641497991150.01195270945730.285944677137-135.294369957-21.1585338736-253.03742781
1192.22121731349-0.5899079338340.2225193091243.29854110846-1.176460272663.356877665850.4219214128020.0658194980714-0.299422030752-0.0743028151329-0.2106846757810.133711280290.153623237109-0.504216324747-0.242546585270.297871410565-0.0855171120060.003950554976610.8687403327830.1258697145960.803280576936-135.06798238-25.6851402049-252.470169776
1204.406817543881.352092125811.053047353743.29298914997-2.372994670512.77683722771-0.0191682377738-0.0252541298189-0.404731424827-0.1844511435360.160721350173-0.4884578203310.2794099544690.378744203513-0.07401879089150.319583156624-0.04465029817760.1641721689830.479341426660.1106526526170.745562657409-125.904150353-25.5648538954-251.800200859
1210.07381464238920.4512518253540.1128585354392.82378288876-0.3938061881941.579451230720.102458525788-0.389863754092-0.1428773740810.0896996685294-0.314316856620.0583710724910.1696278089120.03503857652580.2726661655780.336871651425-0.179743112465-0.02880346122180.6301299640380.1654445262140.618143317206-132.523629087-18.7435704164-252.16129079
1223.22165985725-1.217009605960.845973015525.48199563477-0.9640686521971.318946994850.440829239561-0.1396816425550.215672980323-0.216314365799-0.70373797702-0.5400613997590.0584072736794-0.09176769356070.251245948680.3132956972890.0382615163230.1005537841860.5544474362720.1192026855760.479350183431-88.7196323015-41.6206810898-269.841173696
1232.02680460304-2.14846599043-0.6384540666666.08074953141.948476171643.634770077930.1202664679710.04390386399880.1021161260580.38021935188-0.4068934045-0.092892331484-0.0691124655106-0.02900567429370.2990906038090.315836333525-0.138258719614-0.02391160698040.5846118347280.07886526438180.519509722396-84.5195856144-53.4285717973-256.552204283
1246.022479301040.3735992349514.394734772570.16520823438-0.3596864395035.89267760105-0.2699738195110.048812717891-0.04115220373070.5912964500220.310676186268-1.52058146962-0.05229193256950.2868959378740.02002138409470.588758157073-0.0185594375856-0.3954542974350.8041140582940.06727574488941.31222566301-71.5248686952-42.8641412074-248.589502337
1252.476347617931.875279759512.050695139096.445825991137.427651400218.554282528580.371089605653-0.2155579834280.1726321949930.841783626212-0.0689091343037-1.0174707720.399957662779-0.233222603186-0.3828575137020.736961850062-0.0906543406735-0.18831590220.3684333626180.2488157464580.765663844034-74.1545490846-56.3523617464-250.603835802
1260.1522798824480.0861034433750.1759816776050.02826315780770.05047643074340.1193025628470.5165188071770.1552468028350.333676618411-0.746278268978-0.54072388036-0.804597855005-0.134940259348-0.13093331065-0.006010666126220.7540118634570.3141084263770.4404343776740.7842757408240.4609838834861.3295701553-74.2141524786-50.4233675602-280.016815098
1275.39402340238-2.53410347716-2.464533420186.329451069730.0623602847668.470415792290.9016373986850.6052834993920.484890513134-0.295745448775-0.454919562025-0.119432340999-0.7371272005010.226815680538-0.4077038387120.3312659009210.001923295404690.1005245480260.387400547905-0.04357964298270.58545354632-107.14976296-19.0063706532-271.656327118
1285.23166501207-0.418380755934-1.84244758764.74433865768-0.1216582232532.524083236930.577158458339-1.000624906560.2442420231760.235402780415-0.5896549620210.604830989555-0.1503304916330.1198050072720.06408710427740.353547120964-0.0183404726630.1326547468040.810308797898-0.2614565294740.606426471969-102.161606024-27.7321713081-270.60924038
1293.80104931869-2.74819405734-2.612929852192.06173787606-4.293050841686.32469324609-0.01602317280580.438693681247-0.936721318847-0.2005661666960.04125446204480.2925309508090.300834719739-0.778926781667-0.00774130929760.485423173297-0.07853978349770.1025720032890.478189002299-0.02859214551770.591651192869-112.057169237-26.1935029995-270.696196729
1300.187352280025-0.206556536545-0.8079966120875.726034652713.735790959178.018936359390.3352238771050.532680331894-0.223545444149-0.479268405506-0.6280294413520.0441654472037-0.1605453003750.1070416986490.2455548797530.2927822952830.1663122346250.00420875488370.777233637867-0.1215347887180.369256947816-102.477430606-20.6312945146-269.872272029
1310.3890893638510.6894373977050.389991355271.421825761090.7145338674260.3502955587170.279688488255-0.06220550278830.343035856276-0.0604227935383-0.710478906197-0.166932515039-0.0919761299688-0.09963428949070.418548640610.5366587206630.2016896049790.1323355555440.8755552346610.2068606493260.549248380989-141.358957726-100.957607192-258.001536634
1323.490239643550.301260225862-3.161799961575.03519910241-0.1114663994732.856036189670.4186098297540.618891002952-0.109154637421-0.742714228553-0.42337250276-0.1670694178240.265092206649-0.01426555299110.1027167208130.7237528662290.4598963654640.2816004181010.9777451247110.3681126075130.516524014632-145.613522768-102.439337517-281.977041494
1330.8229800128330.8200701374391.157896898882.609908228320.420549067692.042008331930.263553334115-0.2161588585930.181337242994-0.850511317908-0.868699563903-0.421166511356-0.13142288298-0.3068068581610.570863968620.5968266684070.4223839267240.1142213145611.02133808570.1560288604430.516871590515-149.122170492-97.0349359441-272.957234206
1341.44867626086-0.2702901187941.682459774134.06193604052-1.715499187392.511948989430.3753780267370.1551890876110.2830443224960.10962683713-0.569865769976-0.3012077490670.0674111299325-0.2354123878750.1780584925320.229742418660.09058545440260.09715693758620.8377329736080.154994173220.577397703441-145.355983555-98.4495568703-263.523406352
1354.06376162754-1.94565383433-0.4105769520768.016470276392.98096112366.929166981740.289563359733-0.192601897407-0.215156819054-0.0240908142031-0.9394256781670.2311575600460.00269825642487-1.090527340580.7002281125690.3150278198270.01812522488440.05957935843420.5400053403940.006822356760690.651720261933-148.409895531-111.351460251-260.806774711
1361.345359188870.6303096090330.2475587047577.416689346393.738752908643.16196962630.397129417856-0.0516045704114-0.1888691495370.284699490377-1.319207664270.6140305440760.136798994805-0.9614338672010.8419955045170.3252864194140.003800703370760.04353235552060.9526698834620.1254643134610.563134678634-147.548142386-111.253925659-252.505868959
1372.24574031125-1.751815184071.857131338116.24019639869-0.2175148531491.760235216810.00843772495213-0.2076888746420.5973152305540.3081608265590.0661782719173-1.37796166420.0210176809776-0.0476433828239-0.04040008316370.257299128023-0.01441793503210.004426831673840.6695860752010.2459101554340.679211985421-135.271501766-106.319617553-253.418608341
1383.59828443656-1.998241323212.112169387255.39577370737-0.5593510789161.74937327394-0.423895786678-0.3109928020930.9193647098841.049210794560.0857792254988-2.05800623375-0.0896780676621-0.1110482034150.2682898569040.548747308743-0.0483327007247-0.2853994983990.6716383874390.1146115915210.950846975282-131.694003655-100.071302846-245.939100695
1392.61069079222-0.933606223513-0.07088143022449.265460499847.208129526838.484408364410.03627829946760.1439973640750.3305755222940.636719050559-0.271847385105-0.9746117797420.201605723303-0.07775772900230.2217548035190.423452381105-0.0310085148319-0.03294300007170.5557599029910.3135455129970.639434260655-133.606413557-113.440377119-247.98471211
1400.7868720663360.0224923716091-0.9029964844610.647091464257-0.9613642268413.215380170910.1657525496710.4425577418820.18651510061-0.332849833939-0.494503272742-0.568145042302-0.1460595639890.4268990780850.3220868738190.7985603765240.3353178254830.3261045152081.009337850670.4658297700890.856793339425-129.391336062-107.297099342-279.608675754
1411.4913055199-1.50899471607-0.2861011726571.78134596734-0.2812619777631.551276187690.3434224293690.3818578688060.219711592038-0.516494878219-0.251859869318-0.5080498233440.09162082737020.673441245660.0871393605120.888282827140.7545761417080.393021915241.304376371540.9366587199681.06098184543-128.360043397-102.683126545-280.566168881
1426.30756215108-2.59350823566-1.574491725114.924990579330.8929046123271.246020744660.7148355618560.535090948360.245315367466-0.646898476225-0.5176365900880.0755044143493-0.214013512808-0.0483958589561-0.1244377030740.4959702079230.03535472666710.1718317174730.3406857542680.02169144088670.52538339191-164.472888229-76.3075160814-274.413838826
1433.5325193841.562251900242.624605714112.95257241127-0.4220886676113.069447790360.425497701936-0.4215761211691.021653787550.0256241215303-0.603446599893-0.1622380727760.158920930240.3193118197580.1329636122190.3530361707020.08482599137580.03897879930880.972967699549-0.3087923722010.724581127673-160.252218702-84.9650775107-271.096711994
1442.010932393260.2930428462951.219074934033.49842829595-0.3721774492474.568727914720.2671524889710.197586594695-0.334095399466-0.150772718181-0.2817733715160.5310028765430.458836210410.0600080636058-0.0166105866310.3533887599770.05345670121070.08399675745030.549339794134-0.06356090730810.544242915962-164.65597507-79.7916319455-271.444728487
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 144 )AA1 - 1441 - 110
22chain 'A' and (resid 145 through 384 )AA145 - 384111 - 335
33chain 'A' and (resid 385 through 417 )AA385 - 417336 - 368
44chain 'B' and (resid 3 through 34 )BB3 - 341 - 32
55chain 'B' and (resid 35 through 77 )BB35 - 7733 - 75
66chain 'B' and (resid 78 through 117 )BB78 - 11776 - 115
77chain 'C' and (resid 1 through 156 )CC1 - 1561 - 123
88chain 'C' and (resid 157 through 229 )CC157 - 229124 - 196
99chain 'C' and (resid 230 through 319 )CC230 - 319197 - 286
1010chain 'C' and (resid 320 through 417 )CC320 - 417287 - 366
1111chain 'D' and (resid 3 through 34 )DD3 - 341 - 32
1212chain 'D' and (resid 35 through 77 )DD35 - 7733 - 75
1313chain 'D' and (resid 78 through 117 )DD78 - 11776 - 115
1414chain 'E' and (resid 1 through 144 )EE1 - 1441 - 112
1515chain 'E' and (resid 145 through 319 )EE145 - 319113 - 287
1616chain 'E' and (resid 320 through 417 )EE320 - 417288 - 362
1717chain 'F' and (resid 3 through 28 )FF3 - 281 - 26
1818chain 'F' and (resid 29 through 50 )FF29 - 5027 - 48
1919chain 'F' and (resid 51 through 60 )FF51 - 6049 - 58
2020chain 'F' and (resid 61 through 77 )FF61 - 7759 - 75
2121chain 'F' and (resid 78 through 110 )FF78 - 11076 - 108
2222chain 'F' and (resid 111 through 117 )FF111 - 117109 - 115
2323chain 'G' and (resid 1 through 113 )GG1 - 1131 - 101
2424chain 'G' and (resid 114 through 319 )GG114 - 319102 - 286
2525chain 'G' and (resid 320 through 417 )GG320 - 417287 - 382
2626chain 'H' and (resid 3 through 28 )HH3 - 281 - 26
2727chain 'H' and (resid 29 through 67 )HH29 - 6727 - 65
2828chain 'H' and (resid 68 through 85 )HH68 - 8566 - 83
2929chain 'H' and (resid 86 through 110 )HH86 - 11084 - 108
3030chain 'H' and (resid 111 through 117 )HH111 - 117109 - 115
3131chain 'I' and (resid 1 through 157 )II1 - 1571 - 124
3232chain 'I' and (resid 158 through 319 )II158 - 319125 - 286
3333chain 'I' and (resid 320 through 417 )II320 - 417287 - 359
3434chain 'J' and (resid 3 through 14 )JJ3 - 141 - 12
3535chain 'J' and (resid 15 through 34 )JJ15 - 3413 - 32
3636chain 'J' and (resid 35 through 77 )JJ35 - 7733 - 75
3737chain 'J' and (resid 78 through 110 )JJ78 - 11076 - 108
3838chain 'J' and (resid 111 through 117 )JJ111 - 117109 - 115
3939chain 'K' and (resid 1 through 157 )KK1 - 1571 - 124
4040chain 'K' and (resid 158 through 340 )KK158 - 340125 - 305
4141chain 'K' and (resid 341 through 417 )KK341 - 417306 - 382
4242chain 'L' and (resid 3 through 28 )LL3 - 281 - 26
4343chain 'L' and (resid 29 through 60 )LL29 - 6027 - 58
4444chain 'L' and (resid 61 through 77 )LL61 - 7759 - 75
4545chain 'L' and (resid 78 through 85 )LL78 - 8576 - 83
4646chain 'L' and (resid 86 through 91 )LL86 - 9184 - 89
4747chain 'L' and (resid 92 through 100 )LL92 - 10090 - 98
4848chain 'L' and (resid 101 through 117 )LL101 - 11799 - 115
4949chain 'M' and (resid 1 through 122 )MM1 - 1221 - 111
5050chain 'M' and (resid 145 through 340 )MM145 - 340112 - 305
5151chain 'M' and (resid 341 through 417 )MM341 - 417306 - 378
5252chain 'N' and (resid 3 through 28 )NN3 - 281 - 26
5353chain 'N' and (resid 29 through 117 )NN29 - 11727 - 115
5454chain 'O' and (resid 1 through 170 )OO1 - 1701 - 137
5555chain 'O' and (resid 171 through 280 )OO171 - 280138 - 247
5656chain 'O' and (resid 281 through 319 )OO281 - 319248 - 286
5757chain 'O' and (resid 320 through 417 )OO320 - 417287 - 361
5858chain 'P' and (resid 3 through 28 )PP3 - 281 - 26
5959chain 'P' and (resid 29 through 60 )PP29 - 6027 - 58
6060chain 'P' and (resid 61 through 85 )PP61 - 8559 - 83
6161chain 'P' and (resid 86 through 100 )PP86 - 10084 - 98
6262chain 'P' and (resid 101 through 117 )PP101 - 11799 - 115
6363chain 'Q' and (resid 1 through 157 )QQ1 - 1571 - 124
6464chain 'Q' and (resid 158 through 229 )QQ158 - 229125 - 196
6565chain 'Q' and (resid 230 through 319 )QQ230 - 319197 - 286
6666chain 'Q' and (resid 320 through 417 )QQ320 - 417287 - 384
6767chain 'R' and (resid 3 through 27 )RR3 - 271 - 25
6868chain 'R' and (resid 31 through 77 )RR31 - 7726 - 72
6969chain 'R' and (resid 78 through 117 )RR78 - 11773 - 112
7070chain 'S' and (resid 1 through 35 )SS1 - 351 - 23
7171chain 'S' and (resid 36 through 86 )SS36 - 8624 - 74
7272chain 'S' and (resid 87 through 144 )SS87 - 14475 - 111
7373chain 'S' and (resid 145 through 170 )SS145 - 170112 - 137
7474chain 'S' and (resid 171 through 228 )SS171 - 228138 - 195
7575chain 'S' and (resid 229 through 280 )SS229 - 280196 - 247
7676chain 'S' and (resid 281 through 319 )SS281 - 319248 - 286
7777chain 'S' and (resid 320 through 349 )SS320 - 349287 - 305
7878chain 'S' and (resid 350 through 412 )SS350 - 412306 - 344
7979chain 'T' and (resid 3 through 28 )TT3 - 281 - 26
8080chain 'T' and (resid 29 through 60 )TT29 - 6027 - 58
8181chain 'T' and (resid 61 through 77 )TT61 - 7759 - 75
8282chain 'T' and (resid 78 through 117 )TT78 - 11776 - 115
8383chain 'U' and (resid 1 through 94 )UU1 - 941 - 80
8484chain 'U' and (resid 95 through 157 )UU95 - 15781 - 119
8585chain 'U' and (resid 158 through 280 )UU158 - 280120 - 242
8686chain 'U' and (resid 281 through 319 )UU281 - 319243 - 281
8787chain 'U' and (resid 320 through 402 )UU320 - 402282 - 333
8888chain 'V' and (resid 3 through 28 )VV3 - 281 - 26
8989chain 'V' and (resid 29 through 60 )VV29 - 6027 - 58
9090chain 'V' and (resid 61 through 85 )VV61 - 8559 - 83
9191chain 'V' and (resid 86 through 117 )VV86 - 11784 - 115
9292chain 'W' and (resid 1 through 157 )WW1 - 1571 - 124
9393chain 'W' and (resid 158 through 229 )WW158 - 229125 - 196
9494chain 'W' and (resid 230 through 247 )WW230 - 247197 - 214
9595chain 'W' and (resid 248 through 319 )WW248 - 319215 - 286
9696chain 'W' and (resid 320 through 417 )WW320 - 417287 - 347
9797chain 'X' and (resid 3 through 28 )XX3 - 281 - 26
9898chain 'X' and (resid 29 through 67 )XX29 - 6727 - 65
9999chain 'X' and (resid 68 through 85 )XX68 - 8566 - 83
100100chain 'X' and (resid 86 through 117 )XX86 - 11784 - 115
101101chain 'Y' and (resid 1 through 144 )YY1 - 1441 - 108
102102chain 'Y' and (resid 145 through 225 )YY145 - 225109 - 189
103103chain 'Y' and (resid 233 through 280 )YY233 - 280190 - 237
104104chain 'Y' and (resid 281 through 319 )YY281 - 319238 - 276
105105chain 'Y' and (resid 320 through 355 )YY320 - 355277 - 308
106106chain 'Y' and (resid 356 through 417 )YY356 - 417309 - 365
107107chain 'Z' and (resid 3 through 10 )ZZ3 - 101 - 8
108108chain 'Z' and (resid 11 through 60 )ZZ11 - 609 - 53
109109chain 'Z' and (resid 61 through 85 )ZZ61 - 8554 - 78
110110chain 'Z' and (resid 86 through 117 )ZZ86 - 11779 - 110
111111chain 'a' and (resid 1 through 35 )aAA1 - 351 - 23
112112chain 'a' and (resid 36 through 144 )aAA36 - 14424 - 108
113113chain 'a' and (resid 145 through 280 )aAA145 - 280109 - 244
114114chain 'a' and (resid 281 through 319 )aAA281 - 319245 - 283
115115chain 'a' and (resid 320 through 411 )aAA320 - 411284 - 342
116116chain 'b' and (resid 3 through 28 )bHB3 - 281 - 26
117117chain 'b' and (resid 29 through 34 )bHB29 - 3427 - 32
118118chain 'b' and (resid 35 through 42 )bHB35 - 4233 - 40
119119chain 'b' and (resid 43 through 60 )bHB43 - 6041 - 58
120120chain 'b' and (resid 61 through 77 )bHB61 - 7759 - 75
121121chain 'b' and (resid 78 through 117 )bHB78 - 11776 - 115
122122chain 'c' and (resid 1 through 170 )cIB1 - 1701 - 134
123123chain 'c' and (resid 171 through 260 )cIB171 - 260135 - 220
124124chain 'c' and (resid 261 through 280 )cIB261 - 280221 - 240
125125chain 'c' and (resid 281 through 319 )cIB281 - 319241 - 279
126126chain 'c' and (resid 320 through 410 )cIB320 - 410280 - 327
127127chain 'd' and (resid 3 through 42 )dJB3 - 421 - 37
128128chain 'd' and (resid 43 through 60 )dJB43 - 6038 - 55
129129chain 'd' and (resid 61 through 85 )dJB61 - 8556 - 80
130130chain 'd' and (resid 86 through 117 )dJB86 - 11781 - 112
131131chain 'e' and (resid 1 through 35 )eKB1 - 351 - 23
132132chain 'e' and (resid 36 through 52 )eKB36 - 5224 - 40
133133chain 'e' and (resid 53 through 105 )eKB53 - 10541 - 93
134134chain 'e' and (resid 106 through 170 )eKB106 - 17094 - 137
135135chain 'e' and (resid 171 through 187 )eKB171 - 187138 - 154
136136chain 'e' and (resid 188 through 229 )eKB188 - 229155 - 196
137137chain 'e' and (resid 230 through 260 )eKB230 - 260197 - 227
138138chain 'e' and (resid 261 through 280 )eKB261 - 280228 - 247
139139chain 'e' and (resid 281 through 319 )eKB281 - 319248 - 286
140140chain 'e' and (resid 320 through 362 )eKB320 - 362287 - 315
141141chain 'e' and (resid 372 through 416 )eKB372 - 416316 - 353
142142chain 'f' and (resid 3 through 42 )fLB3 - 421 - 40
143143chain 'f' and (resid 43 through 60 )fLB43 - 6041 - 58
144144chain 'f' and (resid 61 through 117 )fLB61 - 11759 - 115

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