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(A) Radius of gyration of Cα atoms during the simulated time for sSH3 (0-20 ns), ED1ev (20-24 ns), and sSH3-DP (24-44 ns). Distributions of the SH3A-polybasic region (B) and of the SH3B-polybasic region (C) minimum distances for the sSH3 (dashed line), sSH3-3P (dotted line), ED1ev (thick solid line), and sSH3-DP (thinner solid line) trajectories. Minimum distances are calculated over Cα atoms of either the SH3A or the SH3B domain and the R301-S304 segment of the polybasic region.
