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. 2021 Aug 17;12:695331. doi: 10.3389/fimmu.2021.695331

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Copyright © 2021 Mohanty, Chatterjee and Das

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Dynamic ensembles of Cul5^CTD closed, and open states were observed from simulations. (A) Radius of gyration for Cul5^CTD-Rbx1 variants and S567-R714 separation in Cul5^CTD calculated from MD simulations. Mean ± std deviation for each variant is calculated over eight independent MD trajectories performed for 200 ns. (B) Probability distributions for the radius of gyration (Rg) of closed/open states of Cul5^CTD-Rbx1 calculated from the 1.6 μs macro trajectory for each state. The macro trajectory was obtained by combining eight independent 200 ns runs. (C) Probability distribution of S567-R714 distance in Cul5^CTD calculated from the 1.6 μs macro trajectory for each state.