• Setup file and analysis for running MELD folding simulation of protein G/L and their mutants can be found in run_meld. MELD installation can be found here.

• MSM analysis was done with PyEMMA shown in adaptive_msm.

• AlphaFold predictions were done with local installed ColabFold. af_GL contains all output structures.

Check the Reference. Please contact us if you need the simulation trajectories.