To construct the initial configurations of peptides in micelles, peptide PDB files were first generated using ProBuilder server , and then embedded to SDS micelles using CHARMM GUI. Systems were hydrated with approximately 24 000-40 000 water molecules and the total charge was neutralized with sodium ions. To test the potential dependence of the results on simulation box size, we ran hMff(TA) simulations with different box sizes, see Fig. in the supplementary information.