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- PDB-4k66: Structure of an airborne transmissible avian influenza H5 hemaggl... -

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Basic information

Entry
Database: PDB / ID: 4k66
TitleStructure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with avian receptor analog LSTa
Components(Hemagglutinin) x 2
KeywordsVIRAL PROTEIN / virus attachment / membrane fusion
Function / homology
Function and homology information


clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / membrane
Similarity search - Function
Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B ...Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon / Alpha-Beta Complex / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.005 Å
AuthorsZhang, W. / Shi, Y. / Lu, X. / Shu, Y. / Qi, J. / Gao, G.F.
CitationJournal: Science / Year: 2013
Title: An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Authors: Zhang, W. / Shi, Y. / Lu, X. / Shu, Y. / Qi, J. / Gao, G.F.
History
DepositionApr 15, 2013Deposition site: RCSB / Processing site: PDBJ
Revision 1.0May 22, 2013Provider: repository / Type: Initial release
Revision 1.1May 29, 2013Group: Refinement description
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_validate_close_contact / struct_asym / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_atom_id_1 / _pdbx_validate_close_contact.auth_atom_id_2 / _pdbx_validate_close_contact.auth_comp_id_1 / _pdbx_validate_close_contact.auth_comp_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Aug 24, 2022Group: Database references / Structure summary / Category: chem_comp / citation / database_2
Item: _chem_comp.pdbx_synonyms / _citation.journal_volume ..._chem_comp.pdbx_synonyms / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.2Nov 8, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 2.3Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin
B: Hemagglutinin
C: Hemagglutinin
D: Hemagglutinin
E: Hemagglutinin
F: Hemagglutinin
G: Hemagglutinin
H: Hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)221,84412
Polymers220,4598
Non-polymers1,3854
Water00
1
A: Hemagglutinin
B: Hemagglutinin
hetero molecules

A: Hemagglutinin
B: Hemagglutinin
hetero molecules

A: Hemagglutinin
B: Hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)167,42212
Polymers165,3446
Non-polymers2,0786
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_655-y+1,x-y,z1
crystal symmetry operation3_665-x+y+1,-x+1,z1
Buried area31360 Å2
ΔGint-125 kcal/mol
Surface area58910 Å2
MethodPISA
2
C: Hemagglutinin
D: Hemagglutinin
hetero molecules

C: Hemagglutinin
D: Hemagglutinin
hetero molecules

C: Hemagglutinin
D: Hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)167,42212
Polymers165,3446
Non-polymers2,0786
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_555-y,x-y,z1
crystal symmetry operation3_555-x+y,-x,z1
Buried area31350 Å2
ΔGint-126 kcal/mol
Surface area58860 Å2
MethodPISA
3
E: Hemagglutinin
F: Hemagglutinin

E: Hemagglutinin
F: Hemagglutinin

E: Hemagglutinin
F: Hemagglutinin


Theoretical massNumber of molelcules
Total (without water)165,3446
Polymers165,3446
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_665-y+1,x-y+1,z1
crystal symmetry operation3_565-x+y,-x+1,z1
Buried area27810 Å2
ΔGint-146 kcal/mol
Surface area59730 Å2
MethodPISA
4
G: Hemagglutinin
H: Hemagglutinin

G: Hemagglutinin
H: Hemagglutinin

G: Hemagglutinin
H: Hemagglutinin


Theoretical massNumber of molelcules
Total (without water)165,3446
Polymers165,3446
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_665-y+1,x-y+1,z1
crystal symmetry operation3_565-x+y,-x+1,z1
Buried area27780 Å2
ΔGint-148 kcal/mol
Surface area59930 Å2
MethodPISA
Unit cell
Length a, b, c (Å)70.605, 70.605, 490.126
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number143
Space group name H-MP3

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Components

#1: Protein
Hemagglutinin


Mass: 36203.953 Da / Num. of mol.: 4 / Fragment: UNP residues 17-326 / Mutation: H107Y, T160A, Q226L, G228S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/Indonesia/5/2005(H5N1) / Gene: HA / Plasmid: pFastBac1 / Cell line (production host): Hi5 / Production host: TRICHOPLUSIA NI (cabbage looper) / References: UniProt: A8HWY8
#2: Protein
Hemagglutinin


Mass: 18910.838 Da / Num. of mol.: 4 / Fragment: UNP residues 347-510
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/Indonesia/5/2005(H5N1) / Gene: HA / Plasmid: pFastBac1 / Cell line (production host): Hi5 / Production host: TRICHOPLUSIA NI (cabbage looper) / References: UniProt: A8HWY8
#3: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 471.411 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-3DGalpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a3-b2WURCSPDB2Glycan 1.1.0
[][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{}}LINUCSPDB-CARE
#4: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
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: 3.2 Å3/Da / Density % sol: 61.55 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8.5
Details: 25% PEG 1500, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 2, 2012
RadiationMonochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
Reflection twinType: merohedral / Operator: -h,-k,l / Fraction: 0.2548
ReflectionResolution: 3→50 Å / Num. all: 50062 / Num. obs: 50062 / % possible obs: 91.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3
Reflection shellResolution: 3→3.11 Å / % possible all: 92.1

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Processing

Software
NameVersionClassification
ADSCQuantumdata collection
PHASERphasing
PHENIX(phenix.refine: 1.8_1069)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2FK0

2fk0


Resolution: 3.005→49.013 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.7969 / SU ML: 0.43 / σ(F): 1.96 / Phase error: 27.96 / Stereochemistry target values: TWIN_LSQ_F
RfactorNum. reflection% reflectionSelection details
Rfree0.2617 2544 5.09 %RANDOM
Rwork0.2187 ---
all0.2208 50023 --
obs0.2208 50023 91.73 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 304.21 Å2 / Biso mean: 98.4873 Å2 / Biso min: 8.18 Å2
Refinement stepCycle: LAST / Resolution: 3.005→49.013 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15480 0 92 0 15572
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01415956
X-RAY DIFFRACTIONf_angle_d1.57521588
X-RAY DIFFRACTIONf_dihedral_angle_d19.4685866
X-RAY DIFFRACTIONf_chiral_restr0.162316
X-RAY DIFFRACTIONf_plane_restr0.0062814
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 18

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.0055-3.06330.33291380.2891264088
3.0633-3.12580.35281370.2813259094
3.1258-3.19370.31651500.2664263490
3.1937-3.2680.29641300.2558263293
3.268-3.34970.31161320.2537267291
3.3497-3.44030.31021290.2562264893
3.4403-3.54150.2961460.2487266991
3.5415-3.65580.2831410.2257256992
3.6558-3.78640.24361540.2318261891
3.7864-3.93790.27171560.216260589
3.9379-4.1170.2461400.197256191
4.117-4.3340.23381470.189258690
4.334-4.60530.2191350.1851256690
4.6053-4.96060.22381340.1851260390
4.9606-5.45920.24671660.1983262491
5.4592-6.24780.24621340.2087270294
6.2478-7.86630.26981370.2173279796
7.8663-49.01910.25411380.2201276395
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.02290.0210.01110.0348-0.0380.01580.0423-0.0251-0.11510.0304-0.0950.0555-0.1562-0.0047-00.714-0.0907-0.14590.7948-0.06150.497917.784617.2601-46.0577
20.12970.055-0.13060.0288-0.11410.1342-0.0090.4887-0.142-0.04530.03040.1693-0.1581-0.0499-0.01140.27980.01880.00790.44620.01930.358212.80557.8755-8.0489
30.0011-0.00750.01460.0904-0.0850.16920.13760.0498-0.25610.16440.2058-0.00720.0725-0.02650.146-0.0271-0.21580.06860.2555-0.10550.318111.80212.489911.3113
40.14640.0365-0.0590.0918-0.03080.0651-0.0953-0.1965-0.152-0.1025-0.02860.1730.01050.0021-0.1415-0.2914-0.56350.0846-0.66630.06330.255816.39976.594421.6111
50.3011-0.09180.09350.3586-0.25430.40220.2641-0.5084-0.07140.359-0.4324-0.0228-0.22620.4255-0.13510.05610.13220.0342-0.033-0.01920.347522.61699.433632.5951
60.0875-0.0058-0.0670.0215-0.01360.05470.0045-0.18980.0701-0.0686-0.1591-0.0163-0.00080.0658-0.0932-1.21390.14590.13130.1070.01080.445128.38414.76224.729
70.0569-0.0419-0.0330.03810.0290.0163-0.01780.0309-0.0019-0.15520.048-0.0608-0.2274-0.089600.26980.00050.00440.2394-0.04850.29221.90762.175617.6769
80.02230.0040.02060.03090.01220.0301-0.17020.1287-0.0605-0.06590.17880.1568-0.2522-0.13550.00020.3-0.1209-0.03780.4041-0.0460.369713.67648.0326-8.9998
90.01720.0095-0.03540.0080.00630.0365-0.08960.0853-0.1857-0.24670.00210.0085-0.16040.1763-0.00940.61250.0441-0.03810.8317-0.05420.338519.79614.8012-25.3216
100.00160.00370.00690.00140.00430.0016-0.18540.23440.0441-0.0174-0.39650.0697-0.0623-0.192100.9378-0.0055-0.10281.0915-0.01410.506820.092816.0225-50.9549
110.020.0121-0.00340.025-0.01020.00150.0652-0.01420.01230.0212-0.07540.0316-0.01540.024201.448-0.23190.01271.2733-0.19230.461917.32286.005-59.0123
120.00210.0121-0.01160.0042-0.00320.0065-0.18280.01270.07290.06380.2594-0.0262-0.0211-0.010300.6940.12680.09850.52290.06210.599228.34995.1151-36.0736
130.07720.02440.04660.1991-0.0770.04660.117-0.19480.06150.256-0.11490.1085-0.0892-0.06860.057-0.0042-0.0874-0.1080.1346-0.04810.383727.474915.4145-0.8342
140.0917-0.09330.04460.1329-0.08670.02780.09630.09780.0017-0.02960.02850.0731-0.0763-0.02370.03020.3012-0.017-0.00320.27340.01020.135228.80618.7689-25.7077
150.0030.00270.0120.00480.0010.0088-0.1273-0.1121-0.0145-0.1632-0.0995-0.10120.2335-0.0489-01.36930.1097-0.03921.1640.05550.474526.573612.612-67.8438
16-0.00820.0027-0.0011-0.0044-0.00390.00140.0759-0.1908-0.23470.08130.03070.11170.0791-0.177701.05940.045-0.0441.1474-0.08770.655828.192.1394-67.2425
170.03610.0227-0.00710.02640.02740.0181-0.01330.14570.00530.1393-0.00680.1290.20030.0059-00.7952-0.07710.13270.75720.1840.414217.53933.1247199.0123
180.213-0.09310.18140.19320.17940.3626-0.02580.11370.14660.05110.0212-0.01310.24190.1569-0.03290.0833-0.0395-0.02440.15910.00910.383720.715212.0145248.9156
190.06710.01720.01120.0598-0.01840.0696-0.0028-0.22520.2768-0.01790.0565-0.0872-0.0870.15470.06380.1371-0.02520.00430.03460.03340.542121.447318.9168272.8078
200.3988-0.17960.15390.22920.1950.7040.2307-0.36920.06020.3106-0.3049-0.00680.3091-0.4906-0.0192-0.01290.0548-0.01330.087-0.02930.384311.599711.8026276.1079
210.07940.0833-0.00950.18770.01920.0729-0.08750.0501-0.0227-0.2051-0.0219-0.09680.0838-0.06690.00390.18250.0067-0.00460.16070.08660.280413.390718.1955262.7258
220.0307-0.0523-0.03350.01710.02820.04940.07850.23340.3464-0.0939-0.03-0.16960.16150.1399-0.00040.3752-0.03720.01180.47890.07150.37219.31619.9023230.0678
230.00490.0024-0.00980.0019-0.00860.0031-0.15630.2094-0.06390.0094-0.2928-0.04820.08860.1666-01.0419-0.02520.17010.9493-0.00090.43415.23244.3174194.097
240.0198-00.00160.01640.00340.00050.04890.04670.0668-0.0661-0.092-0.0898-0.018-0.005701.379-0.263-0.09581.21130.12270.52318.004614.2861186.0118
25-0.00540.01460.00310.0180.010.0048-0.17610.03-0.02980.03780.2251-0.0108-0.01940.0479-00.6140.0497-0.06560.6497-0.06210.48297.290515.4853208.1873
260.00940.018-0.00020.00680.00260.00440.1511-0.036-0.01420.0725-0.1344-0.1232-0.086-0.017400.23150.08390.050.33630.14230.49036.34269.4002234.0528
270.2333-0.1051-0.15740.35890.06980.04560.0470.01950.0277-0.020.0422-0.1331-0.05350.24370.07450.203-0.03810.02410.20870.01050.16196.82021.2491223.4816
280.00630.0031-0.0098-0.0043-0.00770.0043-0.1679-0.07790.1207-0.055-0.0566-0.0675-0.12390.169201.3511-0.01470.03021.28550.09130.55218.12912.7778177.4228
29-0.0502-0.1764-0.0787-0.09410.01850.0710.0031-0.2523-0.379-0.241-0.2837-0.3179-0.1532-0.00330.02921.36880.21660.11561.0648-0.16250.579713.87221.6281107.6511
300.25070.0057-0.01030.15660.12090.08560.12970.34960.140.242-0.107-0.10750.08650.263800.8805-0.0121-0.01790.95770.09460.724115.916829.5839148.5792
310.0057-0.00020.0192-0.00150.03040.0149-0.24510.2053-0.00320.1988-0.0430.0018-0.0160.0822-01.8652-0.11240.14081.3965-0.05410.896412.611623.3282107.2614
32-0.0014-0.00840.0061-0.0031-0.00450.0084-0.0516-0.0630.04030.0511-0.0190.0804-0.1145-0.031302.01590.37010.37381.70490.11081.12394.493625.394771.0511
330.00680.022-0.01050.0224-0.0140.0072-0.0324-0.144-0.006-0.02660.0918-0.01030.0263-0.031302.0756-0.0984-0.08941.6306-0.05511.387613.836922.550962.7137
340.01260.0106-0.00140.0064-0.00180.0024-0.0212-0.11890.07720.156-0.0611-0.0493-0.0022-0.038101.6743-0.24720.3992.21660.10061.28115.654634.116384.6891
350.0066-0.00660.00070.0001-0.00180.0111-0.022-0.041-0.0156-0.0025-0.0157-0.0335-0.0183-0.0066-01.69090.01010.09971.8422-0.00651.385510.372735.0209110.7498
360.27150.21160.09010.15650.03550.0239-0.190.1516-0.0855-0.1019-0.1956-0.00330.02820.0508-0.02482.01920.25780.18390.93410.01360.35862.574334.019191.9727
370.0031-0.0036-0.00850.00190.00850.0070.1156-0.0041-0.070.04340.0842-0.07590.12280.0123-01.51030.24120.36531.8539-0.05341.25215.135832.684153.0469
38-0.08060.1035-0.01110.02920.08070.0347-0.5204-0.0044-0.4385-0.26170.19170.1784-0.05310.29940.011.4362-0.2419-0.15091.0507-0.16980.5872-9.652419.2183352.6451
390.1361-0.11260.0770.1880.02860.12430.0987-0.2974-0.1083-0.1357-0.162-0.19370.21210.062100.75920.04630.06430.81430.10180.6318-1.665321.4002393.5737
400.00490.00630.0127-0.007-0.00230.00690.07540.0590.0043-0.1126-0.1213-0.0957-0.00810.0792-01.285-0.33830.14151.6387-0.18210.8538-8.715417.6919358.1994
410.02120.0102-0.00020.0010.0026-0.0008-0.0416-0.2686-0.1475-0.0783-0.1547-0.10650.02390.1156-01.4940.03090.01461.8180.17181.045-9.175627.1182342.0447
420.00090.0006-0.0008-0.001-0.00110.00120.04520.04260.0060.0009-0.02230.014-0.021-0.0193-01.9565-0.16050.00221.9866-0.1141.4744-8.775836.9785317.2833
43-0.0007-0.00170.00050.0014-0.0022-0.00020.0260.03420.06190.00010.0333-0.0234-0.01030.010402.0107-0.31670.20781.7056-0.321.4311-12.950622.0815315.2408
440.00510.00450.00410.00480.00270.0152-0.0171-0.079-0.02420.02380.040.02220.0080.023702.3162-0.14460.05612.33590.061.9141-6.735822.2742312.727
450.00220.00390.00560.00480.00110.00840.00320.15560.010.0103-0.0101-0.0004-0.0214-0.0653-01.53130.019-0.06321.66880.17611.3243-10.752217.0895303.4337
46-0.01310.0217-0.01280.0364-0.00160.00260.04020.1307-0.0312-0.0904-0.2364-0.20380.01860.064902.06940.16140.22161.4258-0.19971.20381.666325.7452338.1098
470.1569-0.0030.03070.2238-0.06440.0778-0.21190.051-0.0935-0.2985-0.1735-0.03820.0412-0.0306-0.11471.6058-0.72390.26811.5843-0.42350.0546-4.985235.7368345.3921
480.00210.00430.0037-0.00120.00330.0054-0.03740.04010.02320.0256-0.1061-0.10130.01780.008301.8212-0.33-0.04012.1920.01071.6298-3.143432.7021300.8337
49-0.00210.00620.00110.00930.01190.00370.0267-0.1365-0.0199-0.05720.00750.0876-0.0272-0.078502.13850.11640.13791.3371-0.15581.19490.59323.5611297.9514
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resseq 4:27 )A4 - 27
2X-RAY DIFFRACTION2chain 'A' and (resseq 28:66 )A28 - 66
3X-RAY DIFFRACTION3chain 'A' and (resseq 67:85 )A67 - 85
4X-RAY DIFFRACTION4chain 'A' and (resseq 86:146 )A86 - 146
5X-RAY DIFFRACTION5chain 'A' and (resseq 147:228 )A147 - 228
6X-RAY DIFFRACTION6chain 'A' and (resseq 229:247 )A229 - 247
7X-RAY DIFFRACTION7chain 'A' and (resseq 248:270 )A248 - 270
8X-RAY DIFFRACTION8chain 'A' and (resseq 271:304 )A271 - 304
9X-RAY DIFFRACTION9chain 'A' and (resseq 305:324 )A305 - 324
10X-RAY DIFFRACTION10chain 'B' and (resseq 335:354 )B335 - 354
11X-RAY DIFFRACTION11chain 'B' and (resseq 355:371 )B355 - 371
12X-RAY DIFFRACTION12chain 'B' and (resseq 372:393 )B372 - 393
13X-RAY DIFFRACTION13chain 'B' and (resseq 394:408 )B394 - 408
14X-RAY DIFFRACTION14chain 'B' and (resseq 409:457 )B409 - 457
15X-RAY DIFFRACTION15chain 'B' and (resseq 458:479 )B458 - 479
16X-RAY DIFFRACTION16chain 'B' and (resseq 480:498 )B480 - 498
17X-RAY DIFFRACTION17chain 'C' and (resseq 4:27 )C4 - 27
18X-RAY DIFFRACTION18chain 'C' and (resseq 28:111 )C28 - 111
19X-RAY DIFFRACTION19chain 'C' and (resseq 112:146 )C112 - 146
20X-RAY DIFFRACTION20chain 'C' and (resseq 147:247 )C147 - 247
21X-RAY DIFFRACTION21chain 'C' and (resseq 248:270 )C248 - 270
22X-RAY DIFFRACTION22chain 'C' and (resseq 271:324 )C271 - 324
23X-RAY DIFFRACTION23chain 'D' and (resseq 335:354 )D335 - 354
24X-RAY DIFFRACTION24chain 'D' and (resseq 355:371 )D355 - 371
25X-RAY DIFFRACTION25chain 'D' and (resseq 372:392 )D372 - 392
26X-RAY DIFFRACTION26chain 'D' and (resseq 393:402 )D393 - 402
27X-RAY DIFFRACTION27chain 'D' and (resseq 403:457 )D403 - 457
28X-RAY DIFFRACTION28chain 'D' and (resseq 458:498 )D458 - 498
29X-RAY DIFFRACTION29chain 'E' and (resseq 4:85 )E4 - 85
30X-RAY DIFFRACTION30chain 'E' and (resseq 86:270 )E86 - 270
31X-RAY DIFFRACTION31chain 'E' and (resseq 271:324 )E271 - 324
32X-RAY DIFFRACTION32chain 'F' and (resseq 335:354 )F335 - 354
33X-RAY DIFFRACTION33chain 'F' and (resseq 355:371 )F355 - 371
34X-RAY DIFFRACTION34chain 'F' and (resseq 372:392 )F372 - 392
35X-RAY DIFFRACTION35chain 'F' and (resseq 393:402 )F393 - 402
36X-RAY DIFFRACTION36chain 'F' and (resseq 403:471 )F403 - 471
37X-RAY DIFFRACTION37chain 'F' and (resseq 472:498 )F472 - 498
38X-RAY DIFFRACTION38chain 'G' and (resseq 4:85 )G4 - 85
39X-RAY DIFFRACTION39chain 'G' and (resseq 86:270 )G86 - 270
40X-RAY DIFFRACTION40chain 'G' and (resseq 271:304 )G271 - 304
41X-RAY DIFFRACTION41chain 'G' and (resseq 305:324 )G305 - 324
42X-RAY DIFFRACTION42chain 'H' and (resseq 335:344 )H335 - 344
43X-RAY DIFFRACTION43chain 'H' and (resseq 345:354 )H345 - 354
44X-RAY DIFFRACTION44chain 'H' and (resseq 355:361 )H355 - 361
45X-RAY DIFFRACTION45chain 'H' and (resseq 362:371 )H362 - 371
46X-RAY DIFFRACTION46chain 'H' and (resseq 372:402 )H372 - 402
47X-RAY DIFFRACTION47chain 'H' and (resseq 403:457 )H403 - 457
48X-RAY DIFFRACTION48chain 'H' and (resseq 458:471 )H458 - 471
49X-RAY DIFFRACTION49chain 'H' and (resseq 472:498 )H472 - 498

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