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. 2015 Dec 11;10(12):e0143745. doi: 10.1371/journal.pone.0143745

Fig 2. End-to-end distance and root mean square deviation (RMSD) measured for wildtype and mutated individual FG Nups.

Fig 2

Mutated sequences represent a charged-to-Ala scanning within their like-charge regions (LCRs). Each simulation was repeated three times and the average and the error bars are represented in the graphs. (a) End-to-end distance of the LCR of FG Nups. Mutated sequences demonstrate a significant (35%-52%) reduction in end-to-end distance of their LCR compared to wildtype sequences, which demonstrates the role of LCR charges in maintaining the size of these regions. (b) End-to-end distance of the whole sequence of FG Nups. FG Nups with a long LCR compared to their length (Nup42, Nup49, Nup57) show nearly identical drop in end-to-end distance for LCRs as well as the whole sequence (37%-52%). On the other hand, FG Nups with a shorter LCR compared to their length, demonstrate a significantly lower drop for the end-to-end distance of the whole sequence (4%-17%). (c) RMSD of the LCR drops appreciably (9%-39%) in the mutated sequences, which suggests charges of LCRs as regulators of the highly dynamic nature of these regions. (d) RMSD for the whole sequence drops for up to 32% compared to the wildtype sequence.