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. 2017 Mar 8;7:43807. doi: 10.1038/srep43807

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Copyright © 2017, The Author(s)

This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

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The RCF was calculated for the last 100 ns from each trajectory using the second order Legendre polynomial (P2) of the NH bond vector (a) and a nonlinear curve fitted with the two parameters in a model-free approach (b). Fitting was performed according to the following formula: y = a0 + (1 − a0)*exp(−x/a1).