Supplementary Data to: "Cysteine-mediated structural stabilization of the tetrameric GlpF"

<p>Simulation files, molecular structures and trajectories tetrameric GlpF wild type and M4C mutant. in the latter, 4 cysteine residues in the transmembrane helix bundle of GlpF, in detail C11, C28, C80, and C99 are replaced by glycines. The data underlays our publication on the role of those 4 cysteine residues for stability of membrane inserted tetrameric GlpF in a simple 3-component membrane mimic of E. coli polar lipid extract (PLE).</p>

The zips include:<br>
1. the charmm36-july2017.ff simulation directory for GROMACS 202X<br>
2. gromacs simulation files (topologies and mdp files)<br>
3. snapshots of first and last (3µs) frames of two replica of the simulations including all atoms in the simulation systems<br>
4. protein trajectories saved every 100 ps<br>
5. protein pdb files every 100 ns