GLP-1R R131Q links long-range conformational remodeling to cellular stress phenotypes

This Zenodo record provides machine-readable supplementary data and analysis-ready molecular dynamics trajectory files for the manuscript “GLP-1R R131Q links long-range conformational remodeling to cellular stress phenotypes”. The Supplementary_Data.zip file contains processed source data for Supplementary Data S1-S5: S1: mean LU and non-LU apo structures used for the residue-wise structural displacement analysis in Fig. 1D. S2: bound receptor-only contact matrices used to derive the receptor contact-rewiring score in Fig. 3D. S3: source CSV files for the conditioned bound-state summaries shown in Fig. 4A-C. S4: PCA scores, per-residue loading tables, and apo/bound state-assignment source files used in the PCA-based analyses. S5: selected bound contact threshold-sensitivity data for the contact pairs summarized in main Tables 2 and 3 and Supplementary Table S9. This record also includes analysis-ready trajectory files derived from the apo and GLP-1-bound WT and R131Q production simulations. These include downsampled stripped protein/peptide trajectories for residue-level contact and distance analyses, TM1-TM7 C-alpha trajectories used for PCA, RMSD/RMSF, and clustering analyses, reference starting structures, manifests, checksums, and helper scripts. The full 2-ps stripped production trajectories are not included because of file-size constraints; the deposited trajectories preserve the coordinate information needed to reproduce the manuscript-level structural analyses. The Supplementary_Data_Preview.png file is provided only as a visual preview of selected processed data. The full numeric data and trajectory files are contained in the uploaded data packages.