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- PDB-2fk0: Crystal Structure of a H5N1 influenza virus hemagglutinin. -

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Basic information

Entry
Database: PDB / ID: 2fk0
TitleCrystal Structure of a H5N1 influenza virus hemagglutinin.
Components(hemagglutinin) x 2
KeywordsVIRAL PROTEIN / GLYCOPROTEIN / MEMBRANE-FUSION PRECURSOR
Function / homology
Function and homology information


clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / apical plasma membrane / 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
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
: / : / Hemagglutinin / Hemagglutinin
Similarity search - Component
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.95 Å
AuthorsStevens, J. / Wilson, I.A.
CitationJournal: Science / Year: 2006
Title: Structure and Receptor Specificity of the Hemagglutinin from an H5N1 Influenza Virus.
Authors: Stevens, J. / Blixt, O. / Tumpey, T.M. / Taubenberger, J.K. / Paulson, J.C. / Wilson, I.A.
History
DepositionJan 3, 2006Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 2, 2006Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Advisory / Version format compliance
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 / database_PDB_caveat / 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_chiral / pdbx_validate_close_contact / struct_asym / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen
Item: _atom_site.auth_asym_id / _atom_site.auth_seq_id ..._atom_site.auth_asym_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_entity_id / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_chiral.auth_asym_id / _pdbx_validate_chiral.auth_seq_id / _pdbx_validate_close_contact.auth_asym_id_2 / _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_comp_id / _struct_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Aug 30, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id

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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
I: hemagglutinin
J: hemagglutinin
K: hemagglutinin
L: hemagglutinin
M: hemagglutinin
N: hemagglutinin
O: hemagglutinin
P: hemagglutinin
Q: hemagglutinin
R: hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)536,73934
Polymers529,46218
Non-polymers7,27716
Water00
1
A: hemagglutinin
B: hemagglutinin
C: hemagglutinin
D: hemagglutinin
E: hemagglutinin
F: hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,35812
Polymers176,4876
Non-polymers2,8716
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35380 Å2
ΔGint-126 kcal/mol
Surface area61450 Å2
MethodPISA
2
G: hemagglutinin
H: hemagglutinin
I: hemagglutinin
J: hemagglutinin
K: hemagglutinin
L: hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,19612
Polymers176,4876
Non-polymers2,7096
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35270 Å2
ΔGint-124 kcal/mol
Surface area61420 Å2
MethodPISA
3
M: hemagglutinin
N: hemagglutinin
hetero molecules

M: hemagglutinin
N: hemagglutinin
hetero molecules

M: hemagglutinin
N: hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,03412
Polymers176,4876
Non-polymers2,5466
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_555-y,x-y,z1
crystal symmetry operation3_555-x+y,-x,z1
4
O: hemagglutinin
P: hemagglutinin
hetero molecules

O: hemagglutinin
P: hemagglutinin
hetero molecules

O: hemagglutinin
P: hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,03412
Polymers176,4876
Non-polymers2,5466
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_455-y-1,x-y,z1
crystal symmetry operation3_445-x+y-1,-x-1,z1
5
Q: hemagglutinin
R: hemagglutinin

Q: hemagglutinin
R: hemagglutinin

Q: hemagglutinin
R: hemagglutinin


Theoretical massNumber of molelcules
Total (without water)176,4876
Polymers176,4876
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_565-y,x-y+1,z1
crystal symmetry operation3_455-x+y-1,-x,z1
Unit cell
Length a, b, c (Å)197.943, 197.943, 134.688
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number143
Space group name H-MP3
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21C
31E
41G
51I
61K
12B
22D
32F
42H
52J
62L

NCS domain segments:

Component-ID: 1 / Beg auth comp-ID: GLY / Beg label comp-ID: GLY / Refine code: 1

Dom-IDEns-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11PROPROAA10 - 3244 - 325
21PROPROCC10 - 3244 - 325
31PROPROEE10 - 3244 - 325
41PROPROGG10 - 3244 - 325
51PROPROII10 - 3244 - 325
61PROPROKK10 - 3244 - 325
12SERSERBB1 - 1751 - 175
22SERSERDD1 - 1751 - 175
32SERSERFF1 - 1751 - 175
42SERSERHH1 - 1751 - 175
52SERSERJJ1 - 1751 - 175
62SERSERLL1 - 1751 - 175

NCS ensembles :
ID
1
2

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Components

#1: Protein
hemagglutinin


Mass: 37948.020 Da / Num. of mol.: 9 / Fragment: RECEPTOR BINDING DOMAIN, HA14
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (A/Viet Nam/1203/2004(H5N1))
Genus: Influenzavirus A / Species: Influenza A virus / Strain: A/Vietnam/1203/2004 / Plasmid: pAcGP67 / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): Hi5 / References: GenBank: 50296053, UniProt: Q1KHJ8*PLUS
#2: Protein
hemagglutinin


Mass: 20881.104 Da / Num. of mol.: 9 / Fragment: MEMBRANE FUSION DOMAIN, HA2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (A/Viet Nam/1203/2004(H5N1))
Genus: Influenzavirus A / Species: Influenza A virus / Strain: A/Vietnam/1203/2004 / Plasmid: pAcGP67 / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): Hi5 / References: GenBank: 58618438, UniProt: Q1KHG8*PLUS
#3: Polysaccharide
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 13
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#4: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE

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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: 2.88 Å3/Da / Density % sol: 57.24 %
Crystal growTemperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.55
Details: 22% PEG 2000, 0.1M HEPES, pH 6.55, VAPOR DIFFUSION, SITTING DROP, temperature 290K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 8, 2005
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.95→49.48 Å / Num. obs: 122612 / % possible obs: 99.1 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 3.1 % / Rsym value: 0.1 / Net I/σ(I): 13.6
Reflection shellResolution: 2.95→3.02 Å / Redundancy: 3.2 % / Mean I/σ(I) obs: 1.7 / Rsym value: 0.66 / % possible all: 100

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Processing

Software
NameVersionClassification
REFMAC5.2.0019refinement
HKL-2000data reduction
SCALEPACKdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1RD8

1rd8


Resolution: 2.95→171.5 Å / Cor.coef. Fo:Fc: 0.89 / Cor.coef. Fo:Fc free: 0.831 / SU B: 60.904 / SU ML: 0.51 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.518 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE CHAINS WERE RENUMBERED TO BE CONSISTENT WITH NUMBERING OF THE BIOLOGICALLY ACTIVE MOLECULE FOR WHICH THERE ARE EXISTING PDB ENTRIES FOR SIMILAR PROTEINS.
RfactorNum. reflection% reflectionSelection details
Rfree0.31873 1233 1 %RANDOM
Rwork0.26847 ---
obs0.26898 121266 98.87 %-
all-122499 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 71.105 Å2
Baniso -1Baniso -2Baniso -3
1-1.44 Å20.72 Å20 Å2
2--1.44 Å20 Å2
3----2.15 Å2
Refinement stepCycle: LAST / Resolution: 2.95→171.5 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms35721 0 481 0 36202
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0190.02237110
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.711.95650296
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg8.49154455
X-RAY DIFFRACTIONr_dihedral_angle_2_deg39.07625.1211863
X-RAY DIFFRACTIONr_dihedral_angle_3_deg21.825156336
X-RAY DIFFRACTIONr_dihedral_angle_4_deg20.64315171
X-RAY DIFFRACTIONr_chiral_restr0.1090.25397
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.0228343
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined0.2580.218005
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined0.3280.224762
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1860.21192
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.4030.2421
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.2660.227
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.321.522575
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it0.536235847
X-RAY DIFFRACTIONr_scbond_it0.932316295
X-RAY DIFFRACTIONr_scangle_it1.5824.514449
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-IDDom-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
11A2554tight positional0.060.05
12C2554tight positional0.060.05
13E2554tight positional0.060.05
14G2554tight positional0.060.05
15I2554tight positional0.060.05
16K2554tight positional0.060.05
21B1417tight positional0.040.05
22D1417tight positional0.040.05
23F1417tight positional0.040.05
24H1417tight positional0.030.05
25J1417tight positional0.030.05
26L1417tight positional0.040.05
11A2554tight thermal0.090.5
12C2554tight thermal0.10.5
13E2554tight thermal0.10.5
14G2554tight thermal0.090.5
15I2554tight thermal0.090.5
16K2554tight thermal0.090.5
21B1417tight thermal0.060.5
22D1417tight thermal0.060.5
23F1417tight thermal0.060.5
24H1417tight thermal0.050.5
25J1417tight thermal0.050.5
26L1417tight thermal0.060.5
LS refinement shellResolution: 2.953→3.03 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.439 93 -
Rwork0.331 8918 -
obs--98.37 %
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)
13.79361.63922.88812.1875-1.33769.59530.1793-0.07050.5918-0.0088-0.09920.6562-1.1152-0.7765-0.0802-0.59950.04380.1402-0.3610.0262-0.0079-79.995914.774452.7915
21.97530.58380.0472.011-0.42963.70860.0964-0.40650.29670.2806-0.140.4462-0.315-0.36940.0435-0.58330.02920.1687-0.4803-0.0664-0.1842-76.838510.12171.9665
31.3161-0.23510.26010.89820.41734.28560.11350.86060.2191-0.6510.05320.2771-0.6026-0.3028-0.1666-0.0811-0.0929-0.12950.04750.2162-0.11-70.085613.130314.725
44.0776-1.9236-1.91422.89991.18659.6554-0.03330.8687-0.3309-0.694-0.12140.5004-0.3413-0.70930.15480.6515-0.1472-0.13990.95770.27530.3038-75.76149.9313-26.6483
52.54810.92570.3712.0680.905912.1667-0.23620.1277-0.363-0.34460.23310.22081.182-0.26560.0031-0.4610.006-0.0053-0.67320.0578-0.2704-58.256-20.12751.697
62.37150.1550.42192.4256-0.02144.7843-0.0832-0.2468-0.2330.48480.0483-0.01720.25480.18480.0349-0.44950.0096-0.0204-0.75750.0471-0.3483-54.8078-15.896970.9081
71.2996-0.10010.21521.92540.57454.2081-0.06440.8033-0.1369-0.87120.11580.11850.5216-0.1328-0.0513-0.0225-0.1931-0.1053-0.0485-0.0951-0.2166-63.5628-9.092614.3661
86.77770.3444-0.85528.0634-2.167219.78870.33950.36420.1361-0.65180.0405-0.9830.8086-0.1562-0.380.8431-0.25530.07380.874-0.41270.4404-59.5467-10.9558-27.2407
91.91720.0065-2.14733.9386-1.689611.8368-0.18970.31820.08860.38490.1451-0.786-0.49890.94580.0446-0.5691-0.1585-0.0617-0.523-0.0896-0.2359-39.316.242351.3565
101.88750.1333-0.06463.3610.17384.7190.0876-0.15220.04880.7088-0.1871-0.1191-0.2240.29770.0995-0.5252-0.1901-0.0285-0.6073-0.0261-0.3331-43.623615.866570.8415
111.70670.1603-0.47270.8490.10965.6744-0.020.92850.1621-0.6720.1126-0.1374-0.07390.4509-0.0927-0.1026-0.19510.08890.03860.0258-0.2582-47.68767.842313.9212
125.1776-2.91653.17658.52632.304917.55930.10590.3832-0.1602-1.02280.22940.8922-0.82711.0679-0.33530.8503-0.25540.32480.7990.28350.4457-49.399313.6577-27.4224
133.1263-1.41853.36063.42581.370811.04050.2547-0.00650.5064-0.1154-0.2977-0.514-0.71830.94810.0431-0.63180.01980.1058-0.47730.0261-0.2663-10.567172.836878.2167
142.3617-0.4080.27622.15420.02813.1620.07560.47580.2115-0.244-0.1857-0.1865-0.24060.27660.1101-0.66140.02460.0845-0.46670.0336-0.3134-13.925669.536358.8133
151.67690.67170.56291.66440.65343.66770.274-1.08920.07830.8948-0.2019-0.1706-0.04970.1821-0.072-0.0682-0.0853-0.03130.2844-0.1007-0.2507-21.388471.2353115.9672
1612.9750.8894-2.45810.4985-1.515725.0748-0.0313-0.6865-1.08620.91920.19330.3701-0.54890.0347-0.1620.80380.0921-0.3440.9555-0.15690.3731-16.775366.1494157.2137
173.9728-0.157-1.14281.8862-0.72538.74830.0911-0.1661-0.5940.49090.0840.00211.0222-0.1411-0.1751-0.4184-0.1188-0.0565-0.65430.0044-0.1451-36.389941.246777.7328
183.22810.36130.3842.62550.17283.4801-0.07750.3993-0.4213-0.28220.05650.24850.258-0.1870.0211-0.4864-0.0096-0.0818-0.7031-0.0846-0.2705-38.813846.402458.5866
191.0223-0.0482-0.12921.9321-1.07656.16240.0523-0.8281-0.31440.8330.0392-0.01850.65050.0635-0.09150.0818-0.0539-0.05870.09210.1988-0.1711-30.774350.3682115.5284
209.0271-2.34222.42717.6697-0.955116.34010.4397-0.38570.10310.5253-0.16470.21880.138-0.2298-0.2750.8577-0.13180.04120.81020.20340.3565-35.869747.8522156.9999
211.85770.48450.56472.5150.585511.0223-0.2245-0.65950.1645-0.13510.15950.6344-0.5718-1.22360.065-0.51380.19970.0256-0.51770.0345-0.1133-50.97279.694978.8779
222.58740.24150.07332.437-0.54324.77340.08540.28960.2434-0.3344-0.09470.1573-0.2322-0.2460.0093-0.58340.22450.0026-0.64380.0923-0.1945-46.044279.54859.5218
231.6582-0.0454-0.91531.37260.37735.27770.0367-0.93480.08520.8886-0.09320.2707-0.1537-0.45550.05650.02470.01880.20740.1958-0.0376-0.1697-44.576669.1749116.166
246.45811.3104-1.054711.5898-5.04114.3233-0.24270.25780.36860.7079-0.0477-1.2027-0.089-0.2250.29040.9965-0.11680.43280.8295-0.31560.4487-42.932973.6976157.6901
253.7868-1.3166-2.73383.8176-0.83723.1832-0.2384-0.9690.7060.81620.53130.0097-1.0404-0.1972-0.29290.20850.43370.17590.1503-0.04930.0105-11.256121.21920.4648
262.14570.487-1.03132.83330.36863.9311-0.202-0.90820.17331.61470.59250.01130.04260.4527-0.39050.84420.78170.16350.44680.00520.0927-11.307615.993639.782
271.7652-0.16560.91161.8049-0.19725.13160.15030.43430.287-0.51990.1930.1917-0.7476-0.1204-0.3433-0.00110.07380.1146-0.21560.0939-0.217-2.896413.0921-16.986
285.35761.0649-3.10570.96820.68834.05350.04590.7992-0.1368-0.9371-0.24620.0809-1.0457-0.36830.20030.67390.048-0.2040.84890.34020.1807-8.432613.7086-58.1168
296.75361.2520.75052.98151.28227.6384-0.20731.13280.7432-0.63420.3921-0.0553-1.06520.5263-0.18480.1599-0.48110.21450.07730.0097-0.0054-85.6381-37.083-25.5408
302.8650.2034-0.47483.1147-0.89953.5028-0.23721.27230.1638-1.5240.58950.04910.0447-0.3148-0.35230.4627-0.67910.14120.6509-0.0584-0.009-86.2566-42.1759-45.0399
311.17790.23250.46121.87280.38945.60530.1342-0.50060.16190.50250.1198-0.2161-0.73330.1509-0.2541-0.0957-0.05850.0425-0.1221-0.1123-0.1557-94.652-44.436611.792
321.228-0.1491-1.83171.30921.87064.83630.1204-0.656-0.01150.9869-0.3748-0.32110.30290.7670.25450.6317-0.0875-0.32380.9304-0.18880.2716-89.0205-44.699953.0623
334.74551.0953-2.23345.6629-1.65992.4049-0.2230.2645-0.13130.0595-0.1691-0.8060.49771.05540.39210.41540.0881-0.20740.4749-0.06940.5754-78.68343.185585.5003
341.7397-0.0639-0.24675.81120.73951.2110.1114-0.3496-0.29880.55830.0506-0.37760.22940.5047-0.16190.3560.0305-0.22240.6314-0.05440.3472-80.978148.5227104.6798
351.43630.047-0.39610.4311-0.18420.17750.14530.2127-0.1618-0.1214-0.1335-0.14450.14450.9953-0.01180.89670.06770.13320.4357-0.09410.6088-89.49746.828948.215
3610.2529-2.6235.73856.6081-1.415314.8338-0.16680.5157-0.03790.1146-0.0282-0.09480.40640.01520.1950.7059-0.09490.13730.7015-0.10110.6685-85.015749.99976.7395
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AA54 - 11849 - 115
2X-RAY DIFFRACTION1AA273 - 282274 - 283
3X-RAY DIFFRACTION2AA119 - 272116 - 273
4X-RAY DIFFRACTION3AA17 - 5311 - 47
5X-RAY DIFFRACTION3AA283 - 324284 - 325
6X-RAY DIFFRACTION3BB1 - 241 - 24
7X-RAY DIFFRACTION3BB35 - 12535 - 125
8X-RAY DIFFRACTION4AA10 - 164 - 10
9X-RAY DIFFRACTION4BB25 - 3425 - 34
10X-RAY DIFFRACTION4BB126 - 175126 - 175
11X-RAY DIFFRACTION5CC54 - 11849 - 115
12X-RAY DIFFRACTION5CC273 - 282274 - 283
13X-RAY DIFFRACTION6CC119 - 272116 - 273
14X-RAY DIFFRACTION7CC17 - 5311 - 47
15X-RAY DIFFRACTION7CC283 - 324284 - 325
16X-RAY DIFFRACTION7DD1 - 241 - 24
17X-RAY DIFFRACTION7DD35 - 12535 - 125
18X-RAY DIFFRACTION8CC10 - 164 - 10
19X-RAY DIFFRACTION8DD25 - 3425 - 34
20X-RAY DIFFRACTION8DD126 - 175126 - 175
21X-RAY DIFFRACTION9EE54 - 11849 - 115
22X-RAY DIFFRACTION9EE273 - 282274 - 283
23X-RAY DIFFRACTION10EE119 - 272116 - 273
24X-RAY DIFFRACTION11EE17 - 5311 - 47
25X-RAY DIFFRACTION11EE283 - 324284 - 325
26X-RAY DIFFRACTION11FF1 - 241 - 24
27X-RAY DIFFRACTION11FF35 - 12535 - 125
28X-RAY DIFFRACTION12EE10 - 164 - 10
29X-RAY DIFFRACTION12FF25 - 3425 - 34
30X-RAY DIFFRACTION12FF126 - 175126 - 175
31X-RAY DIFFRACTION13GG54 - 11849 - 115
32X-RAY DIFFRACTION13GG273 - 282274 - 283
33X-RAY DIFFRACTION14GG119 - 272116 - 273
34X-RAY DIFFRACTION15GG17 - 5311 - 47
35X-RAY DIFFRACTION15GG283 - 324284 - 325
36X-RAY DIFFRACTION15HH1 - 241 - 24
37X-RAY DIFFRACTION15HH35 - 12535 - 125
38X-RAY DIFFRACTION16GG10 - 164 - 10
39X-RAY DIFFRACTION16HH25 - 3425 - 34
40X-RAY DIFFRACTION16HH126 - 175126 - 175
41X-RAY DIFFRACTION17II54 - 11849 - 115
42X-RAY DIFFRACTION17II273 - 282274 - 283
43X-RAY DIFFRACTION18II119 - 272116 - 273
44X-RAY DIFFRACTION19II17 - 5311 - 47
45X-RAY DIFFRACTION19II283 - 324284 - 325
46X-RAY DIFFRACTION19JJ1 - 241 - 24
47X-RAY DIFFRACTION19JJ35 - 12535 - 125
48X-RAY DIFFRACTION20II10 - 164 - 10
49X-RAY DIFFRACTION20JJ25 - 3425 - 34
50X-RAY DIFFRACTION20JJ126 - 175126 - 175
51X-RAY DIFFRACTION21KK54 - 11849 - 115
52X-RAY DIFFRACTION21KK273 - 282274 - 283
53X-RAY DIFFRACTION22KK119 - 272116 - 273
54X-RAY DIFFRACTION23KK17 - 5311 - 47
55X-RAY DIFFRACTION23KK283 - 324284 - 325
56X-RAY DIFFRACTION23LL1 - 241 - 24
57X-RAY DIFFRACTION23LL35 - 12535 - 125
58X-RAY DIFFRACTION24KK10 - 164 - 10
59X-RAY DIFFRACTION24LL25 - 3425 - 34
60X-RAY DIFFRACTION24LL126 - 175126 - 175
61X-RAY DIFFRACTION25MM54 - 11849 - 115
62X-RAY DIFFRACTION25MM273 - 282274 - 283
63X-RAY DIFFRACTION26MM119 - 272116 - 273
64X-RAY DIFFRACTION27MM17 - 5311 - 47
65X-RAY DIFFRACTION27MM283 - 324284 - 325
66X-RAY DIFFRACTION27NN1 - 241 - 24
67X-RAY DIFFRACTION27NN35 - 12535 - 125
68X-RAY DIFFRACTION28MM10 - 164 - 10
69X-RAY DIFFRACTION28NN25 - 3425 - 34
70X-RAY DIFFRACTION28NN126 - 175126 - 175
71X-RAY DIFFRACTION29OO54 - 11849 - 115
72X-RAY DIFFRACTION29OO273 - 282274 - 283
73X-RAY DIFFRACTION30OO119 - 272116 - 273
74X-RAY DIFFRACTION31OO17 - 5311 - 47
75X-RAY DIFFRACTION31OO283 - 324284 - 325
76X-RAY DIFFRACTION31PP1 - 241 - 24
77X-RAY DIFFRACTION31PP35 - 12535 - 125
78X-RAY DIFFRACTION32OO10 - 164 - 10
79X-RAY DIFFRACTION32PP25 - 3425 - 34
80X-RAY DIFFRACTION32PP126 - 175126 - 175
81X-RAY DIFFRACTION33QQ54 - 11849 - 115
82X-RAY DIFFRACTION33QQ273 - 282274 - 283
83X-RAY DIFFRACTION34QQ119 - 272116 - 273
84X-RAY DIFFRACTION35QQ17 - 5311 - 47
85X-RAY DIFFRACTION35QQ283 - 324284 - 325
86X-RAY DIFFRACTION35RR1 - 241 - 24
87X-RAY DIFFRACTION35RR35 - 12535 - 125
88X-RAY DIFFRACTION36QQ10 - 164 - 10
89X-RAY DIFFRACTION36RR25 - 3425 - 34
90X-RAY DIFFRACTION36RR126 - 175126 - 175

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