Supplementary Data for Elucidating the effects of deleterious non-synonymous SNPs on the structure and function of human Programmed cell Death 1 (PD-1) protein

This repository contains all supplementary materials supporting the study on deleterious nsSNPs in the PDCD1 gene and their structural and functional impact on PD-1 interactions with PD-L1 and PD-L2. The files include detailed nsSNP screening results from cBioPortal, COSMIC, and gnomAD databases; in-silico pathogenicity predictions; protein stability analysis; surface accessibility data; molecular docking outputs; binding affinity comparisons; and molecular dynamics simulation analyses. These datasets provide the complete computational workflow and raw results underlying the findings reported in the manuscript.