Data for the manuscript : "Structural basis of signal peptide recognition by the signal peptidase complex"

Supplementary Data generated during the Molecular Dynamics simulations and AlphaFold2-multimer modeling employed for the manuscript: "Structural basis of signal peptide recognition by the signal peptidase complex" by Liaci, Vismpas et al., 2026. This repository contains: 1) MD.zip: MD trajectory data with the following folders and file: PDF with additional SI figures for the MD simulations. AA (atomistic): APO, L11, P08514, POPC — topology and parameter files. CG (coarse-grained): APO, L11 — topology and parameter files. Raw_plots: Additional SI figures. 2) generated_af2m_sp_models.zip: Alphafold2-multimer models of 412 curated human signal peptide sequences in complex with Sec11A, along with quality plots. 3) accepted_sp_models.zip: Accepted AF2-m models after filtering. 4) PQR file used to determine the protonation states of the protein complex.