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. 2015 Dec 17;291(7):3581–3594. doi: 10.1074/jbc.M115.689091

FIGURE 8.

FIGURE 8.

Molecular dynamics simulations of the NC-CC1-FHA and NC-CC1(ΔPro-390) dimers. A, snapshots of a representative simulation of the NC-CC1-FHA dimer with simulation time indicated. The extended NC-CC1-FHA dimer is broken into two linked dimers (the NC dimer and the CC1-FHA dimer) by Pro-390 that is highlighted by a dashed line. B, time course of the root mean square deviation of the NC dimer (red), the CC1-FHA dimer (blue), and the NC-CC1-FHA dimer (black). Both the NC dimer and the CC1-FHA dimer undergo little conformational changes, but the overall conformation of the NC-CC1-FHA dimer is dynamic during simulations. RMSD, root mean square deviation. C, time course of the distance between the N-terminal end of NC and the C-terminal end of CC1 (as indicated in the left panel), indicating the significant fluctuations of the overall conformation of the NC-CC1-FHA dimer. D, snapshots of a representative simulation of the NC-CC1(ΔPro-390) dimer with simulation time indicated. E, time course of the root mean square deviation of the NC-CC1(ΔPro-390) dimer. F, time course of the distance between the N-terminal end of NC and the C-terminal end of CC1, indicating no significant conformational changes of the NC-CC1(ΔPro-390) dimer.