Stability–Saliency Decoupling Dataset for Constraint-Based Protein Structural Analysis

This dataset contains processed residue-level structural observables used in the study: “Topological Biophysics of Proteins Reveals Predictive Stability–Saliency Decoupling” The dataset includes results from: 709 experimentally annotated protein structures 210 independent prediction benchmark structures All protein coordinate files were obtained from the RCSB Protein Data Bank (PDB). For each structure, we provide: PDB identifier Residue index mapping Computed stability scores ($S_i$) Computed saliency scores ($G_i$) Functional residue annotations (based on CSA definitions) Summary prediction outputs used in statistical evaluation These quantities were computed using a deterministic constraint-based geometric framework as described in the manuscript. All results can be exactly reproduced using the accompanying computational pipeline and identical structural coordinates. The dataset is organized per protein and includes processed outputs sufficient to reproduce all figures, statistical analyses, and reported performance metrics in the manuscript. Code used for computation and analysis is provided in the associated GitHub repository (URL), archived for long-term access.