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. 2017 Aug 29;7:9570. doi: 10.1038/s41598-017-10075-w

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© The Author(s) 2017

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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MD simulations of the (GGGGS)_n and ([E/L]PPPP)_n linkers used to functionally connect YkuN and Fpr. (a) Structural snapshots of (GGGGS)_n and ([E/L]PPPP)_n linkers of length 1 and 5. Depicted in each panel are the starting conformations (left) and the lowest energy conformation found during the 20 ns MD simulations (right). Development of the radius of gyration (Rg) during MD simulations for (GGGGS)_n and ([E/L]PPPP)_n linkers of lengths (n = 1–5) are shown in (b) and (c), respectively. The strong decrease in Rg for (GGGGS)_n linkers reflects the hydrophobic collapse, whereas the ([E/L]PPPP)_n linkers remain in an extended conformation.