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. 2021 Jul 26;8:686086. doi: 10.3389/fmolb.2021.686086

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Copyright © 2021 Chiki, Zhang, Rajasekhar, Abriata, Rostami, Krapp, Boudeffa, Dal Peraro and Lashuel.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Conformational ensembles of Nt19 with different PTMs. dPCA was performed on dihedral angles calculated for the Nt19 backbone, and a free energy map was generated with the first two components. The white asterisk indicated the starting structure (in extended conformation). The major structures that correspond to local minima include fully disordered conformation, short N-term helix, and long helix. The peptides are classified based on the effect of each PTM on helicity and aggregation rate: oxM8/Ack6, pT3, and oxM8/pT3 increased Nt19 helicity and decreased aggregation rate (GROUP 1), pS13 and oxM8 decreased Nt19 helicity and decreased aggregation rate (GROUP 2), AcK6 had no significant effect on aggregation rate (GROUP 3).