Dataset

Theoretical 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.

FASTA 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/)