HLA-B*39 / B*38:01 MD analysis data

This deposit contains the minimal data and code needed to regenerate two figure types from the manuscript titled "How Peptides Lock the β2-microglobulin/Heavy Chain interface: Allotype-specific stability in Type 1 Diabetes-Associated HLA-B Molecules": 1. 3D protein representations — significantly affected residue pairs highlighted on the HLA structure (rendered via PyMOL `.pml` scripts).2. Betweenness-centrality (BC) ridge plot — distributions of residue network centrality across alleles and peptide states. The data derive from gRINN van der Waals interaction-energy analyses of molecular dynamics (MD) simulations of HLA class I molecules in peptide-free and peptide-loaded states. Both figures regenerate end-to-end from the files bundled here — no external data required.