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. 2018 Mar 29;8:5374. doi: 10.1038/s41598-018-23624-8

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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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Contacts between Mincle and the acyl chains. (a) Average number of contacts per system and acyl chain; (b) Initial structures of the C4 and C18 monoesters in complex with Mincle. Residues are colored according to their average number of contacts with the acyl chain: red > orange > yellow > green > blue. (c,d) Contacts per Mincle residue for (c) C4 and (d) C18 monoesters in run 1. For each Mincle residue, the average number of contacts (±standard deviation) to the acyl chains is plotted. Some bars representing key residues are directly labeled in the plot. The data for the remaining mono- and diesters of run1 and for run2 is shown in the Supplementary Figures S6–S9.