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- PDB-6pcu: VP8* of a G2P[4] human rotavirus in complex with scFv antibody 9 -

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Basic information

Entry
Database: PDB / ID: 6pcu
TitleVP8* of a G2P[4] human rotavirus in complex with scFv antibody 9
Components
  • Outer capsid protein VP4
  • Variable domain of antibody scFv9
Keywordsviral protein/immune system / rotavirus / VIRAL PROTEIN / antibody / scFv / viral protein-immune system complex
Function / homology
Function and homology information


viral capsid / virion attachment to host cell
Similarity search - Function
Haemagglutinin outer capsid protein VP4, concanavalin-like domain / Outer Capsid protein VP4 (Hemagglutinin) Concanavalin-like domain / Rotavirus VP4, membrane interaction domain superfamily / Rotavirus VP4, membrane interaction domain / Rotavirus VP4 membrane interaction domain / Jelly Rolls - #200 / Concanavalin A-like lectin/glucanase domain superfamily / Jelly Rolls / Sandwich / Mainly Beta
Similarity search - Domain/homology
Outer capsid protein VP4
Similarity search - Component
Biological speciesRotavirus A
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsHu, L. / Venkataram Prasad, B.V.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)AI36040 United States
Robert A. Welch FoundationQ1279 United States
CitationJournal: J.Clin.Invest. / Year: 2019
Title: Human VP8* mAbs neutralize rotavirus selectively in human intestinal epithelial cells.
Authors: Feng, N. / Hu, L. / Ding, S. / Sanyal, M. / Zhao, B. / Sankaran, B. / Ramani, S. / McNeal, M. / Yasukawa, L.L. / Song, Y. / Prasad, B.V.V. / Greenberg, H.B.
History
DepositionJun 18, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 4, 2019Provider: repository / Type: Initial release
Revision 1.1Sep 11, 2019Group: Data collection / Database references / Category: citation / Item: _citation.page_first / _citation.page_last
Revision 1.2Dec 18, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 2.0Dec 25, 2019Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Polymer sequence / Refinement description / Source and taxonomy / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / entity / entity_poly / entity_poly_seq / entity_src_gen / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_poly_seq_scheme / pdbx_refine_tls_group / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_sheet_hbond / pdbx_struct_special_symmetry / pdbx_unobs_or_zero_occ_residues / pdbx_validate_torsion / struct_asym / struct_conf / struct_conn / struct_mon_prot_cis / struct_ref / struct_ref_seq / struct_ref_seq_dif / struct_sheet_range / 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_seq_id / _atom_site.label_asym_id / _atom_site.label_entity_id / _atom_site.label_seq_id / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _atom_site_anisotrop.pdbx_label_seq_id / _pdbx_entity_nonpoly.entity_id / _pdbx_nonpoly_scheme.asym_id / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_nonpoly_scheme.entity_id / _pdbx_nonpoly_scheme.ndb_seq_num / _pdbx_nonpoly_scheme.pdb_seq_num / _pdbx_nonpoly_scheme.pdb_strand_id / _pdbx_refine_tls_group.beg_auth_asym_id / _pdbx_refine_tls_group.beg_auth_seq_id / _pdbx_refine_tls_group.end_auth_asym_id / _pdbx_refine_tls_group.end_auth_seq_id / _pdbx_refine_tls_group.selection_details / _pdbx_struct_assembly.oligomeric_count / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.value / _pdbx_struct_sheet_hbond.range_1_auth_asym_id / _pdbx_struct_sheet_hbond.range_1_auth_seq_id / _pdbx_struct_sheet_hbond.range_1_label_asym_id / _pdbx_struct_sheet_hbond.range_1_label_seq_id / _pdbx_struct_sheet_hbond.range_2_auth_asym_id / _pdbx_struct_sheet_hbond.range_2_auth_seq_id / _pdbx_struct_sheet_hbond.range_2_label_asym_id / _pdbx_struct_sheet_hbond.range_2_label_seq_id / _pdbx_struct_special_symmetry.label_asym_id / _pdbx_validate_torsion.auth_asym_id / _pdbx_validate_torsion.auth_seq_id / _struct_conf.beg_auth_asym_id / _struct_conf.beg_auth_seq_id / _struct_conf.beg_label_asym_id / _struct_conf.beg_label_seq_id / _struct_conf.end_auth_asym_id / _struct_conf.end_auth_seq_id / _struct_conf.end_label_asym_id / _struct_conf.end_label_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_label_asym_id / _struct_mon_prot_cis.label_asym_id / _struct_mon_prot_cis.pdbx_label_asym_id_2 / _struct_ref_seq_dif.align_id / _struct_sheet_range.beg_auth_asym_id / _struct_sheet_range.beg_auth_seq_id / _struct_sheet_range.beg_label_asym_id / _struct_sheet_range.beg_label_seq_id / _struct_sheet_range.end_auth_asym_id / _struct_sheet_range.end_auth_seq_id / _struct_sheet_range.end_label_asym_id / _struct_sheet_range.end_label_seq_id / _struct_site.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_seq_id / _struct_site_gen.auth_asym_id / _struct_site_gen.auth_seq_id / _struct_site_gen.label_asym_id / _struct_site_gen.label_seq_id
Revision 2.1Oct 11, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Outer capsid protein VP4
B: Variable domain of antibody scFv9
D: Outer capsid protein VP4
E: Variable domain of antibody scFv9
G: Outer capsid protein VP4
H: Variable domain of antibody scFv9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)134,55916
Polymers133,6146
Non-polymers94510
Water9,476526
1
A: Outer capsid protein VP4
B: Variable domain of antibody scFv9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,8225
Polymers44,5382
Non-polymers2843
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2290 Å2
ΔGint-21 kcal/mol
Surface area17150 Å2
MethodPISA
2
D: Outer capsid protein VP4
E: Variable domain of antibody scFv9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,1068
Polymers44,5382
Non-polymers5686
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2710 Å2
ΔGint-41 kcal/mol
Surface area16910 Å2
MethodPISA
3
G: Outer capsid protein VP4
H: Variable domain of antibody scFv9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,6303
Polymers44,5382
Non-polymers921
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2120 Å2
ΔGint-14 kcal/mol
Surface area16860 Å2
MethodPISA
Unit cell
Length a, b, c (Å)182.428, 182.428, 193.753
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number98
Space group name H-MI4122
Components on special symmetry positions
IDModelComponents
11D-435-

HOH

21D-449-

HOH

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Components

#1: Protein Outer capsid protein VP4 / Indian G2P[4] rotavirus VP8*


Mass: 18498.297 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rotavirus A / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q2VE61
#2: Antibody Variable domain of antibody scFv9


Mass: 26039.730 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli BL21(DE3) (bacteria)
#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical
ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: SO4
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 526 / Source method: isolated from a natural source / Formula: H2O
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: 3.08 Å3/Da / Density % sol: 60.07 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 100 mM HEPES (pH 7.0) 20% w/v PEG8000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 0.97741 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Apr 15, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97741 Å / Relative weight: 1
ReflectionResolution: 2.4→35 Å / Num. obs: 63500 / % possible obs: 100 % / Redundancy: 13 % / Net I/σ(I): 10.83
Reflection shellResolution: 2.4→2.44 Å / Redundancy: 12.6 % / Num. unique obs: 3131 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(DEV_3374: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5VX4

5vx4


Resolution: 2.4→35 Å / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.42
RfactorNum. reflection% reflection
Rfree0.237 3157 5 %
Rwork0.186 --
obs0.189 63183 99.5 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2.4→35 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9184 0 54 526 9764
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0039441
X-RAY DIFFRACTIONf_angle_d0.71312827
X-RAY DIFFRACTIONf_dihedral_angle_d3.145504
X-RAY DIFFRACTIONf_chiral_restr0.0491397
X-RAY DIFFRACTIONf_plane_restr0.0051656
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4023-2.43810.33781270.27312497X-RAY DIFFRACTION96
2.4381-2.47620.38581400.26392492X-RAY DIFFRACTION97
2.4762-2.51680.2761380.26312551X-RAY DIFFRACTION98
2.5168-2.56020.31291510.25712548X-RAY DIFFRACTION99
2.5602-2.60680.31191410.24972566X-RAY DIFFRACTION99
2.6068-2.65690.27941470.24062554X-RAY DIFFRACTION100
2.6569-2.71110.3551580.25322575X-RAY DIFFRACTION100
2.7111-2.770.34031530.25442598X-RAY DIFFRACTION100
2.77-2.83440.31741200.24682611X-RAY DIFFRACTION100
2.8344-2.90530.33661570.24052565X-RAY DIFFRACTION100
2.9053-2.98380.30711270.23182638X-RAY DIFFRACTION100
2.9838-3.07150.31191460.21412575X-RAY DIFFRACTION100
3.0715-3.17060.24291550.20542614X-RAY DIFFRACTION100
3.1706-3.28380.23691500.19342575X-RAY DIFFRACTION100
3.2838-3.41520.25511130.18792647X-RAY DIFFRACTION100
3.4152-3.57050.21961120.17182638X-RAY DIFFRACTION100
3.5705-3.75850.19531230.16062649X-RAY DIFFRACTION100
3.7585-3.99370.20181260.15782631X-RAY DIFFRACTION100
3.9937-4.30160.1831470.14212640X-RAY DIFFRACTION100
4.3016-4.73350.14491060.12682682X-RAY DIFFRACTION100
4.7335-5.41630.15921410.13862667X-RAY DIFFRACTION100
5.4163-6.81570.21441280.17392706X-RAY DIFFRACTION100
6.8157-35.00660.22271510.18042807X-RAY DIFFRACTION100
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)
13.19074.0589-1.87576.1035-1.34142.28640.5369-0.855-0.3959-0.117-0.8391-0.54390.64251.3250.46330.43870.0274-0.05360.63970.14180.3263-42.79512.260854.7414
26.72345.14074.12864.19383.6993.42441.40470.9495-2.14390.5579-1.20950.20660.7335-0.4384-0.36310.52390.02580.00320.5533-0.16180.5451-42.49737.213227.466
37.51237.18172.54719.55526.00266.1656-0.7081.29461.1963-0.47020.4090.6822-0.86262.22630.15790.401-0.0784-0.01440.81980.19940.4708-22.295217.376431.4741
45.84456.38362.79576.96782.91272.1180.60280.6521-1.04460.1795-0.4252-1.3857-0.13140.6522-0.1240.29140.013-0.03590.69220.05480.4288-35.060614.393626.0534
51.9708-3.27092.95864.077-3.38817.2777-0.15660.09190.18370.0878-0.2682-0.2464-0.4632-0.41370.470.203-0.0327-0.00890.43450.02060.3245-43.068217.640832.2089
65.53632.38245.77017.32343.74816.1741-0.5721-0.530.23520.10640.4281-0.6553-1.4119-0.35010.21810.35910.0028-0.09040.42410.09570.5879-41.235427.288131.2395
78.90321.69365.13095.6991-1.27414.4481-0.42160.73520.3826-0.1827-0.3126-0.4788-0.27160.69020.59140.319-0.039-0.00310.55010.20830.4636-36.567621.239325.0066
87.49961.34592.0795.5357-0.21851.005-0.04540.66740.08650.2242-0.2518-0.8724-0.42940.4080.27710.3247-0.0589-0.05960.43820.08470.3613-35.707417.232435.06
93.18882.23152.23112.0454-0.0417.5448-0.4523-0.698-0.09840.25460.4502-0.32060.0035-1.0352-0.12130.4037-0.0482-0.08920.3433-0.03240.287-50.314612.693932.693
102.2818-0.4385-2.36333.4727-2.17688.24870.132-0.2337-1.2828-0.3034-0.5244-1.8802-1.6310.33440.4750.45380.0395-0.02530.38360.14010.5396-24.976713.251836.342
114.62591.90872.57211.66771.50883.4125-0.1526-0.07590.02920.2774-0.092-0.0325-0.35170.17510.24380.3570.07020.0010.2460.01660.2063-39.4374-22.90490.7895
120.9568-1.503-0.7343.18461.0652.3855-0.02690.1975-0.2394-0.0418-0.14340.77430.167-0.1130.20470.3111-0.0128-0.02020.3854-0.08230.3626-57.3384-27.03261.4244
131.6524-0.43820.7051.7262-0.11691.45990.08710.29260.0289-0.303-0.1339-0.12410.04270.02470.04630.27770.01690.02230.3239-0.00010.2292-46.3815-24.7756-6.7451
140.9132-1.12790.26212.17550.24798.6012-0.1553-0.3134-0.14970.0906-0.34040.2124-0.12050.19850.58880.18010.01340.00460.364-0.01640.3611-77.84411.459810.9831
153.4739-0.5902-1.39133.92062.93073.45020.0530.74060.04260.1308-0.304-0.38720.4443-0.8263-0.00060.23960.03040.0010.33410.05140.3156-78.4393-3.15739.7639
163.73280.1225-1.33553.72790.95382.47740.02630.03270.2309-0.1415-0.25290.1402-0.1242-0.3685-0.10240.2260.0475-0.03460.2839-0.01140.2354-69.4996-2.18278.0044
176.38563.10061.83124.19291.31373.3582-0.1171-0.0147-0.2793-0.09050.1840.4197-0.16130.2618-0.04720.32380.1067-0.00420.29870.00570.2463-67.4551-8.323311.3205
188.55664.02442.17695.32084.71299.33440.2245-1.0078-0.6281.0019-0.2897-0.04170.75350.819-0.08450.530.0464-0.00380.37170.07240.2958-65.7262-8.927420.5365
191.80152.54891.84944.13093.35552.7137-0.3882-0.15590.52880.2479-0.67490.53880.2617-0.42720.98250.38160.00690.02930.2908-0.01390.3921-76.3556-8.487711.3716
208.3423-2.3034-2.76673.7211-0.98187.7057-0.0198-1.3114-0.06632.23910.39990.2214-0.57540.3705-0.32490.7278-0.00310.0420.4969-0.06610.3391-74.7135-1.03926.6384
218.1209-3.64890.88148.06214.47653.9762-0.31420.1072-0.38340.0116-0.79780.6325-0.4876-0.21050.88910.268-0.04330.03830.2503-0.0020.2338-69.31090.52828.1216
228.3342-4.8232-6.24572.80143.61114.68170.31450.6698-0.1746-0.53110.0539-0.2140.24320.0783-0.08270.5059-0.0003-0.10450.4757-0.07390.3659-59.8475-3.3969-7.9507
231.58960.1251-2.4051.1281-0.01782.7879-0.4223-0.3155-0.3548-0.0482-0.05680.47070.12970.21680.15160.2390.0693-0.00750.38430.01630.3138-72.7383.914211.3817
245.24770.1380.8290.3184-0.62962.11310.3236-1.3226-0.44251.52670.0298-1.23260.07680.3823-0.34520.40660.0534-0.08910.6566-0.05230.7399-50.20964.256414.9919
253.7787-2.92484.58992.9627-5.0518.6263-0.41910.04491.4104-0.4216-0.2201-0.8803-0.73840.05460.69780.5432-0.11180.08990.27450.01750.756-53.764924.01483.3387
263.356-3.655-0.98246.25690.14842.8121-0.3625-0.3940.53930.35480.5106-0.8281-0.32940.1552-0.12140.2886-0.0208-0.03270.3659-0.06530.3454-50.67653.57456.8881
277.4139-5.3641-4.62215.78615.14584.8848-0.27280.29-0.20790.09780.0780.11240.3516-0.27360.090.28710.04670.00880.22690.09160.3024-61.35926.36092.5627
287.2354-2.5988-3.37814.51314.87565.98080.46580.13530.0351-1.29450.05630.0097-0.2004-0.1879-0.21930.323-0.03170.03610.24210.02950.2127-54.6344.3734-4.8838
294.9589-6.46352.39739.2039-3.28345.9140.2686-0.02660.16070.0081-0.11690.00860.5878-0.206-0.15050.4811-0.05390.07790.28110.01090.5008-51.37539.871-2.9894
307.1533-4.12223.18272.7704-3.19278.27251.01160.61630.7773-0.2669-0.8445-1.07560.09091.9056-0.00610.40320.1016-0.05520.47990.05580.7231-45.14888.23024.0189
312.7094-2.8390.31924.6221.19531.47240.42530.09950.2987-0.7541-0.2559-0.24270.17090.0708-0.05150.29730.0304-0.01140.31830.02770.3102-58.040210.71744.8228
322.2552-2.1321-0.20915.5893-0.52690.79860.12160.0689-0.22310.7144-0.08880.30690.34280.1603-0.20070.2606-0.0361-0.13530.3592-0.01080.3079-56.2426-3.572910.2698
333.62912.7001-1.51723.26351.51426.2063-0.5367-0.09850.48560.81810.9747-0.8637-1.2127-1.0609-0.14440.38450.1430.07740.3405-0.09250.4665-58.712321.877.7059
343.87321.743-0.70130.75660.05490.3648-0.18190.3221-0.0926-0.11230.0769-0.05860.0429-0.24550.12150.30310.0073-0.0110.3334-0.04910.2696-92.5466-24.4783-3.7422
353.366-2.421.32785.05062.69057.7409-0.1053-0.37530.0570.59311.0021-0.6059-0.01481.7063-0.85570.36520.0517-0.01210.5374-0.13170.3826-76.4497-30.86924.6436
363.939-1.3025-5.76650.92011.11578.5821-0.2528-0.46190.07760.13980.1062-0.15330.32280.40620.12960.3242-0.0252-0.02480.3741-0.06520.3305-79.9493-21.27283.0073
374.02631.9381-1.07284.2889-0.68472.6301-0.0971-0.0770.4230.08760.18520.08270.04490.3805-0.120.26270.03760.0230.2804-0.04350.349-90.3443-14.50981.7605
382.56710.1378-2.85572.81820.26024.4343-0.0640.04360.19380.13950.09240.203-0.1109-0.2542-0.02180.1920.0378-0.06670.2619-0.02820.2594-96.5154-19.1704-1.2939
398.5604-4.6289-3.94551.98894.75658.1707-0.52510.4342-0.39250.24110.72170.3054-0.22410.1134-0.10790.2447-0.0604-0.01550.2902-0.02550.1894-61.8683-26.1781-26.8045
403.7387-0.8229-0.49534.68260.88442.94640.0288-0.17910.06980.2187-0.0005-0.23230.12890.0705-0.0320.24430.0059-0.03030.24230.00270.1958-65.2042-36.0662-21.0882
412.22472.2542.97465.26956.47658.63190.51030.0409-0.87741.6157-0.1965-0.30621.07430.1083-0.20450.47910.00110.02150.36850.06420.328-71.7821-45.0932-15.8223
420.51351.52761.8613.48894.66486.2471-0.28240.2177-0.098-0.29920.914-0.27160.27460.4439-0.5610.30280.02880.02820.40560.00330.2586-60.9047-36.1208-16.0854
437.7831-2.75943.34573.72820.33512.27040.1859-0.0118-0.3578-0.72870.67170.89411.2580.2949-0.7140.50460.0274-0.1030.40550.01260.3383-62.8284-51.3254-23.3537
447.6957-8.4496-6.4469.86557.11956.2834-0.4258-0.28560.1320.16890.868-0.1971-0.1918-0.1063-0.42150.2503-0.0172-0.06020.3942-0.02140.2753-67.7236-32.7603-25.2377
452.2477-0.09881.43333.7313-5.07297.6432-0.4319-0.95512.0987-0.8257-0.27341.0072-2.4742-0.86170.96570.56930.0531-0.07560.5016-0.27250.8113-76.9192-16.3629-21.7512
465.5558-5.0293-1.2334.21271.55991.96330.27460.0657-0.3795-0.8343-0.2670.4159-0.0033-0.0829-0.11760.367-0.0501-0.00110.2687-0.02090.3071-64.2808-36.131-28.5581
476.03541.8571-2.47259.1521-5.2793.34720.3459-0.0665-0.7932-0.5157-0.02660.30681.0659-0.9732-0.36680.4473-0.0636-0.06380.5165-0.0910.4763-86.7279-39.5591-29.315
485.9236-0.4925-3.17011.72080.68785.38090.29791.08940.0715-0.317-0.3341-0.0466-0.1313-0.6685-0.02160.34730.1167-0.05520.4932-0.05620.328-84.7751-29.9654-43.6734
492.6089-1.9573-1.62531.6090.77682.2126-0.04930.23780.03430.00810.00080.1102-0.1649-0.2320.08560.30.0001-0.0250.358-0.03430.2268-81.2295-29.2628-28.2562
507.2261-0.0213-2.31713.61940.28083.26590.22390.17610.2771-0.042-0.2491-0.0382-0.7481-0.1365-0.1130.33910.0108-0.0430.3242-0.00210.2954-81.897-19.5093-29.5485
515.4822-3.6692-0.82732.59020.91338.1710.6545-0.71841.19660.37770.06030.0746-0.7147-0.1678-0.68740.49080.19240.00880.4287-0.0350.2622-85.4315-21.3618-35.269
523.22334.2104-4.01155.8767-5.40376.96781.33830.95960.53450.1776-0.07222.0359-0.5097-1.3893-1.05960.49710.1064-0.05980.66440.04180.6101-91.6882-28.4153-33.7107
531.94810.2553-4.16051.9712-0.81557.1520.25880.13730.38-0.3656-0.14320.40840.2545-0.1643-0.11280.28950.0747-0.04740.4038-0.03490.2962-78.6549-29.4605-35.7722
542.9650.1453-1.90950.1792-1.31847.8657-0.30360.0792-0.1559-0.07780.03580.02680.91380.34570.17780.2210.03820.0110.24060.00990.2928-80.7256-34.6237-21.3377
557.9406-2.37185.31397.0731-1.49823.5552-0.44951.3935-1.0027-0.9237-0.3615-0.27130.3242-1.02270.54260.34140.0976-0.04460.4397-0.15670.3325-78.3137-33.1748-45.5066
566.356-0.8470.51235.52191.59714.6173-0.03160.37940.2476-0.11620.05620.0251-0.2463-0.004-0.01370.30560.0162-0.00080.2531-0.00440.2548-68.029722.936314.6894
577.579-0.06231.26642.30470.67071.3398-0.1344-0.6259-0.00360.1865-0.01460.2536-0.0087-0.20150.16490.32210.0511-0.00130.4694-0.01860.241-73.058423.117932.4571
589.4417-0.45498.8313-0.0448-0.39677.9134-0.1511-0.75990.27460.2446-0.05930.2445-0.0571-0.64750.26590.41870.0384-0.00710.5141-0.15990.3699-68.22329.346433.9892
595.4954-0.10192.27672.24920.92092.1439-0.23310.08930.5332-0.1298-0.00510.0001-0.3707-0.07410.26280.38580.046-0.04620.35830.03290.268-70.1531.113318.3978
607.9298-1.29471.59880.70270.90223.2289-0.4668-0.75960.2641-0.12120.83880.0359-0.3303-0.3155-0.14780.55810.1084-0.18980.6038-0.20770.4651-45.028621.619351.3313
615.4357-3.41562.0046.9175-4.59126.7268-0.4834-1.3861-0.28550.60850.5749-0.3430.2255-0.8003-0.23340.540.08870.00030.71110.07790.3003-49.55596.773856.35
623.22490.5183-4.16056.6292-1.38038.3598-0.6085-0.77471.25271.40890.99140.4926-1.1845-0.8885-0.13750.73750.28570.0110.5037-0.0580.486-54.564226.392649.3153
636.8409-7.4668-2.20348.65852.41387.7547-0.6928-0.3916-0.36310.77660.45880.13030.430.01220.2290.26850.01660.02350.3834-0.02180.3247-47.89459.590344.0115
646.0469-4.00550.48873.00130.53657.4072-0.19850.6127-0.27090.3490.08490.02590.424-0.49760.10060.3504-0.01720.03080.37240.09130.3844-48.88127.818941.6149
654.88271.09414.08379.5951-1.43455.9280.029-0.77370.09930.63690.36581.3708-0.307-1.1429-0.22930.39380.16420.06430.57410.11540.505-60.421112.213743.569
668.2947-6.6284-6.69517.24386.91649.4291-0.47750.2201-1.34980.9786-0.68561.14370.1725-0.46420.93030.5638-0.14850.05690.54120.13970.5866-56.7955.007246.863
676.4415-0.86830.00988.67924.62613.1123-0.1669-0.8807-0.30761.14420.6979-0.0861-0.6298-0.7153-0.49890.58760.21150.05540.79470.14110.3614-54.995213.815653.3284
684.17855.7197-3.63749.3958-2.71956.7999-0.0405-0.5008-1.74730.14350.5463-0.25411.1132-0.377-0.44430.45080.0927-0.06050.73810.1750.6815-49.8436-3.402751.0072
693.1571-3.83330.21299.564-0.68930.19550.0925-0.37730.0810.3063-0.1981-0.2445-0.21490.16120.00790.40080.05050.02530.4530.01960.2943-46.742414.864445.7269
709.7202-5.57225.41234.3533-5.49918.54430.02510.20430.66330.4896-0.49810.0495-1.0949-0.30050.35210.46280.0962-0.09380.3922-0.08140.4533-46.630625.308540.4431
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN H AND RESID 113:118 )H113 - 118
2X-RAY DIFFRACTION2( CHAIN H AND RESID 119:125 )H119 - 125
3X-RAY DIFFRACTION3( CHAIN H AND RESID 126:135 )H126 - 135
4X-RAY DIFFRACTION4( CHAIN H AND RESID 136:142 )H136 - 142
5X-RAY DIFFRACTION5( CHAIN H AND RESID 143:172 )H143 - 172
6X-RAY DIFFRACTION6( CHAIN H AND RESID 173:183 )H173 - 183
7X-RAY DIFFRACTION7( CHAIN H AND RESID 184:202 )H184 - 202
8X-RAY DIFFRACTION8( CHAIN H AND RESID 203:219 )H203 - 219
9X-RAY DIFFRACTION9( CHAIN H AND RESID 220:230 )H220 - 230
10X-RAY DIFFRACTION10( CHAIN H AND RESID 231:237 )H231 - 237
11X-RAY DIFFRACTION11( CHAIN A AND RESID 63:89 )A63 - 89
12X-RAY DIFFRACTION12( CHAIN A AND RESID 90:144 )A90 - 144
13X-RAY DIFFRACTION13( CHAIN A AND RESID 145:223 )A145 - 223
14X-RAY DIFFRACTION14( CHAIN B AND RESID 2:19 )B2 - 19
15X-RAY DIFFRACTION15( CHAIN B AND RESID 20:26 )B20 - 26
16X-RAY DIFFRACTION16( CHAIN B AND RESID 27:45 )B27 - 45
17X-RAY DIFFRACTION17( CHAIN B AND RESID 46:58 )B46 - 58
18X-RAY DIFFRACTION18( CHAIN B AND RESID 59:68 )B59 - 68
19X-RAY DIFFRACTION19( CHAIN B AND RESID 69:82 )B69 - 82
20X-RAY DIFFRACTION20( CHAIN B AND RESID 83:90 )B83 - 90
21X-RAY DIFFRACTION21( CHAIN B AND RESID 91:99 )B91 - 99
22X-RAY DIFFRACTION22( CHAIN B AND RESID 100:105 )B100 - 105
23X-RAY DIFFRACTION23( CHAIN B AND RESID 106:118 )B106 - 118
24X-RAY DIFFRACTION24( CHAIN B AND RESID 119:125 )B119 - 125
25X-RAY DIFFRACTION25( CHAIN B AND RESID 126:135 )B126 - 135
26X-RAY DIFFRACTION26( CHAIN B AND RESID 136:159 )B136 - 159
27X-RAY DIFFRACTION27( CHAIN B AND RESID 160:172 )B160 - 172
28X-RAY DIFFRACTION28( CHAIN B AND RESID 173:183 )B173 - 183
29X-RAY DIFFRACTION29( CHAIN B AND RESID 184:192 )B184 - 192
30X-RAY DIFFRACTION30( CHAIN B AND RESID 193:202 )B193 - 202
31X-RAY DIFFRACTION31( CHAIN B AND RESID 203:219 )B203 - 219
32X-RAY DIFFRACTION32( CHAIN B AND RESID 220:230 )B220 - 230
33X-RAY DIFFRACTION33( CHAIN B AND RESID 231:236 )B231 - 236
34X-RAY DIFFRACTION34( CHAIN D AND RESID 63:108 )D63 - 108
35X-RAY DIFFRACTION35( CHAIN D AND RESID 109:130 )D109 - 130
36X-RAY DIFFRACTION36( CHAIN D AND RESID 131:159 )D131 - 159
37X-RAY DIFFRACTION37( CHAIN D AND RESID 160:189 )D160 - 189
38X-RAY DIFFRACTION38( CHAIN D AND RESID 190:223 )D190 - 223
39X-RAY DIFFRACTION39( CHAIN E AND RESID 2:10 )E2 - 10
40X-RAY DIFFRACTION40( CHAIN E AND RESID 11:58 )E11 - 58
41X-RAY DIFFRACTION41( CHAIN E AND RESID 59:68 )E59 - 68
42X-RAY DIFFRACTION42( CHAIN E AND RESID 69:82 )E69 - 82
43X-RAY DIFFRACTION43( CHAIN E AND RESID 83:90 )E83 - 90
44X-RAY DIFFRACTION44( CHAIN E AND RESID 91:99 )E91 - 99
45X-RAY DIFFRACTION45( CHAIN E AND RESID 100:105 )E100 - 105
46X-RAY DIFFRACTION46( CHAIN E AND RESID 106:118 )E106 - 118
47X-RAY DIFFRACTION47( CHAIN E AND RESID 119:125 )E119 - 125
48X-RAY DIFFRACTION48( CHAIN E AND RESID 126:142 )E126 - 142
49X-RAY DIFFRACTION49( CHAIN E AND RESID 143:172 )E143 - 172
50X-RAY DIFFRACTION50( CHAIN E AND RESID 173:183 )E173 - 183
51X-RAY DIFFRACTION51( CHAIN E AND RESID 184:192 )E184 - 192
52X-RAY DIFFRACTION52( CHAIN E AND RESID 193:202 )E193 - 202
53X-RAY DIFFRACTION53( CHAIN E AND RESID 203:219 )E203 - 219
54X-RAY DIFFRACTION54( CHAIN E AND RESID 220:230 )E220 - 230
55X-RAY DIFFRACTION55( CHAIN E AND RESID 231:236 )E231 - 236
56X-RAY DIFFRACTION56( CHAIN G AND RESID 63:89 )G63 - 89
57X-RAY DIFFRACTION57( CHAIN G AND RESID 90:144 )G90 - 144
58X-RAY DIFFRACTION58( CHAIN G AND RESID 145:159 )G145 - 159
59X-RAY DIFFRACTION59( CHAIN G AND RESID 160:223 )G160 - 223
60X-RAY DIFFRACTION60( CHAIN H AND RESID 2:10 )H2 - 10
61X-RAY DIFFRACTION61( CHAIN H AND RESID 11:26 )H11 - 26
62X-RAY DIFFRACTION62( CHAIN H AND RESID 27:34 )H27 - 34
63X-RAY DIFFRACTION63( CHAIN H AND RESID 35:41 )H35 - 41
64X-RAY DIFFRACTION64( CHAIN H AND RESID 42:52 )H42 - 52
65X-RAY DIFFRACTION65( CHAIN H AND RESID 53:62 )H53 - 62
66X-RAY DIFFRACTION66( CHAIN H AND RESID 63:74 )H63 - 74
67X-RAY DIFFRACTION67( CHAIN H AND RESID 75:82 )H75 - 82
68X-RAY DIFFRACTION68( CHAIN H AND RESID 83:90 )H83 - 90
69X-RAY DIFFRACTION69( CHAIN H AND RESID 91:99 )H91 - 99
70X-RAY DIFFRACTION70( CHAIN H AND RESID 100:112 )H100 - 112

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