Dataset S1 for: A Length-Aware C-Terminal Structure–Activity Rule for Screening ACE-Inhibitory Peptides from Food Protein Hydrolysates

Supplementary dataset accompanying the manuscript submitted to Current Research in Food Science. Contains 18 worksheets: (1–6) ACE inhibition raw data and IC₅₀ for 24 protein–enzyme hydrolysates and 4 commercial protein sources; (7) dose–response data for five Rule 5–compliant peptides; (8) enzyme kinetics (Lineweaver–Burk); (9) molecular docking summaries for 21 peptides across three ACE binding sites; (10–13) external cross-validation of Rule 5 against 1,429 ACE inhibitory peptides from AHTPDB, BIOPEP-UWM, and MBPDB, including length-stratified analysis, screening enrichment, and heatmap z-score matrix; (14–15) 200 ns molecular dynamics simulation summary and time-series data; (16) cumulative inclusion curve data; (17–18) correlation data for Figure 2.