Data and scripts used to reproduce the computational experiments:
- extracting information from Protein Data Bank in Europe (PDBe) database,
- annotating secondary structure annotation of AlphaFold2-predicted structures with STRIDE,
- benchmarking secondary structure states (H/E/C) for different protein structure predictors (AlphaFold2, PEP2D, Jpred, PHYRE2),
- plotting peptide/protein structural landscape(s).
Modified Jupyter Notebook from PDBe API. Original source: https://github.com/PDBeurope/pdbe-api-training
Digital Discovery, 2023,2, 981-993 DOI https://doi.org/10.1039/D3DD00045A