Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira"

MD data (author K. Pluhackova): Initial coordinate and simulation input files and a coordinate files of the final outputs as well as of the simulation trajectories (protein only) for all-atom MD simulations of LvrB performed using CHARMM36m/TIP4p in GROMACS2023. (pdb, xtc) Simulation data on phosphorylated aspartic acid (residue APP) with parameters generated by CHARMM-GUI are included. Analysis scritps of experimental data (authors S. Hiller and E. Augustoni): The jupyter notebook titled "integrate_dotplot.ipynb" is used to quantify dot intensities from an autophosphorylation assay. The directory YD_distance_pdb contains pdb files and scripts used to statistically analyze domain structures of two-component systems. Details can be found in the Methods of our paper.