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. 2020 Oct 6;10:16581. doi: 10.1038/s41598-020-73644-6

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© The Author(s) 2020

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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.

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Scatterplots showing the distribution of 5000 generated inliers sequences GIS according to outlier scores and hemolytic (HemoPI-1) consensus class probabilities. (a) Changes in the outlier scores and probabilities are illustrated with different shades of purples. Selected 507 non-hemolytic generated sequences with lowest outlier scores and hemolytic predictions (golden circles, quadrant 1). Generated sequences with highest haemolytic predictions are in quadrant 4. Generated sequences identified as outliers according to HemoPI-1 Average KNN (darkest purple data points, quadrant 5). (b) Differences in amino acid composition between the 3 quadrants 1/4/5. (c) Changes in colour gradient indicate differential enrichment in positively charged amino acids i.e. lysine, arginine, histidine (purple) or negatively charged amino acids i.e. aspartic and glutamic acids (orange). (d) Changes in colour gradient indicate differential enrichment in small amino acids i.e. glycine, cysteine, alanine, proline, serine (purple) or bulky aromatic/aliphatic amino acids i.e. phenylalanine, tyrosine, tryptophan, leucine, isoleucine (orange).