Published April 13, 2024 | Version v3
Dataset Open

Validation of de novo designed water-soluble and transmembrane proteins by in silico folding and melting

  • 1. Structural Biology Brussel, Vrije Universiteit Brussel, Brussels, Belgium.
  • 2. John Harvard Distinguished Science Fellowship Program, Harvard University, Cambridge, MA, USA

Description

Here are all of the datasets generated and analysed during this study. 

Here is a breakdown of their content:

  • 8_stranded_transmembrane_barrels.zip - raw data from Alphafold (3 and 48 recycles), ESMFold and raptor predictions of the 8 stranded TMBs. A file with all the sequences is also given
  • 12_stranded_transmembrane_barrels.zip - raw data from the Alphafold and ESMfold predictions of the 12 stranded TMBs. A file with all the sequences is also given
  • water_soluble_barrels.zip - raw data from the Alphafold and ESMfold predictions of the water soluble beta barrels (designable and non-designable). A file with all the sequences is also given
  • all design models.zip - original design models for water-soluble (designable and non-designable), 8-stranded and 12-stranded TMBs

 

  • ESMfold_masking_exp.tar - this tar file contains all the ESMfold masking experiments performed to the water-soluble, 8 and 12-stranded transmembrane barrels. Inside there are zipped datasets for each masking experiment
     
  • ziped_raw_csv_files.zip - raw csv files with all the data necessary to analyse the figures 

  • analysis_notebooks.zip - Jupyter notebooks used to analyse the output prediction data for all figures

 

 

Files

12_stranded_transmembrane_barrels_updated.zip

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