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

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), ESM fold 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