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. 2018 Jan 19;8:1194. doi: 10.1038/s41598-018-19566-w

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Box plot of peptide clusters and their corresponding physicochemical properties. The physicochemical properties of the extended set of peptides (Table 1, 2012 and 2016 sets) were calculated and plotted as a function of cluster memberships, as obtained from the PCA2 analysis. The residue number (N. residues), molecular mass (Mol. mass (Da)), net charge, average hydrophobicity (Avg. Hydrophobicity (TM scale)¹, hydrophobic moment (Hyd. Moment (TM scale)), aggregation potential (Agreggation (Na4vSS))¹⁸, and secondary structure according to the GOR IV algorithm²⁰, (GOR IV Helical, GOR IV Extended and GOR IV rand) were determined. The Steel-Dwass all pairs statistical test was applied (*p < 0.05). Please refer to Supplementary material 04 document for a complete description of statistical tests and their significances. Horizontal grey lines correspond to the grand mean.