MDPPM Structure–Phenotype Analysis Datasets for PTEN, KRAS, and MEK1

This dataset contains processed structural features and analysis scripts used in the study of mutation-dependent conformational dynamics in PTEN, KRAS, and MEK1. The data were derived from REST2 molecular dynamics simulations and include backbone dihedral angle features extracted from approximately 3,000 frames per variant. The repository also includes Jupyter notebooks used for feature selection and machine learning analysis. This dataset supports the analysis of structure–phenotype relationships and the evaluation of representation effects (circular vs arithmetic) in dihedral-based feature extraction. All data are provided to ensure reproducibility of the results reported in the associated manuscript.