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dc.contributor.authorGraham, Stephen
dc.date.accessioned2021-11-01T14:56:28Z
dc.date.available2021-11-01T14:56:28Z
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/330139
dc.descriptionTheoretical models of vaccinia virus strain Western Reserve protein E2, as compared with the experimentally determined structure (PDB ID 7PHY) in the associated publication. Models were generated using AlphaFold2 and RoseTTAFols before deposition of the E2 crystal structure to the PDB. The template sequence was Vaccinia virus strain Western Reserve E2 protein (UniProt ID P21604; VACV_E2.fasta). The top 5 models produced by AlphaFold2 (ranked_0.pdb to ranked_4.pdb) and RoseTTAFold (RoseTTAFold_multimodel.pdb) are available, as are these models with the positional uncertainty of each residue converted into an estimated atomic displacement parameter using phenix.voyager and the ensembles of the E2 head and ring domains used for molecular replacement searches in the associated publication. For more information, see the README.txt file.
dc.formatFASTA file (.fasta) can be opened in a text editor or using any general sequence viewing application (e.g. SnapGene, UGene, JalView). PDB format files (.pdb) can be opened in a text editor or viewed using PyMOL (https://github.com/schrodinger/pymol-open-source) or ChimeraX (https://www.rbvi.ucsf.edu/chimerax/). The PDB files are compressed in a zip file that can be extracted using inbuilt operating system tools or 7-zip (https://www.7-zip.org/)
dc.rightsAttribution 4.0 International (CC BY 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectab initio model
dc.subjectstructural biology
dc.subjectvirology
dc.subjectvaccinia virus
dc.titleTheoretical models of vaccinia virus strain Western Reserve protein E2
dc.typeDataset
dc.identifier.doi10.17863/CAM.77496
rioxxterms.licenseref.urihttps://creativecommons.org/licenses/by/4.0/
dcterms.formatfasta, pdb, txt, zip
dc.contributor.orcidGraham, Stephen [0000-0003-4547-4034]
dcterms.relationhttps://doi.org/10.17863/CAM.74391
dcterms.relationhttps://doi.org/10.2210/pdb7phy/pdb
rioxxterms.typeOther
pubs.funder-project-idWellcome Trust (098406/Z/12/B)
datacite.issupplementto.doi10.2210/pdb7phy/pdb
datacite.issupplementto.urlhttps://www.repository.cam.ac.uk/handle/1810/331153
datacite.issupplementto.url


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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's licence is described as Attribution 4.0 International (CC BY 4.0)