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 the Alphafold (3 and 48 recycles), ESM fold and raptor predictions of the 8 stranded beta barrels. 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 beta barrels. 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. A file with all the sequences is also given ESMfold_masking_exp.tar - this tar file contains all the ESMfold masking experiments performed to the water-soluble barrels as well as the 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

本研究中生成并开展分析的全部数据集如下，其内容明细如下：
8_stranded_transmembrane_barrels.zip：包含针对8链β桶结构的阿尔法折叠（AlphaFold，3次与48次循环迭代）、ESMfold以及Raptor预测所得的原始数据，同时附带一份包含所有序列的文件。
12_stranded_transmembrane_barrels.zip：包含针对12链β桶结构的阿尔法折叠（AlphaFold）与ESMfold预测所得的原始数据，同时附带一份包含所有序列的文件。
water_soluble_barrels.zip：包含针对水溶性β桶结构的阿尔法折叠（AlphaFold）与ESMfold预测所得的原始数据，同时附带一份包含所有序列的文件。
ESMfold_masking_exp.tar：该压缩包包含针对水溶性β桶结构、8链与12链跨膜β桶结构开展的全部ESMfold掩膜实验数据，内部包含每项掩膜实验对应的压缩数据集。
ziped_raw_csv_files.zip：包含用于分析所有图表所需的全部原始CSV文件。
analysis_notebooks.zip：包含用于分析所有图表输出预测数据的Jupyter笔记本（Jupyter notebooks）。