Fig. 2.

Structural flexibility of MSI1-RNA obtained from GaMD simulations: root-mean-square fluctuations (RMSFs) of the MSI1-RNA complex when the Numb RNA was in the (A) Bound or (B) Unbound states, and RMSF of the (C) MSI1 protein and (D) Numb RNA in the apo state. A color scale of 0.0 ​Å (blue) to 4.0 ​Å (red) is used. Note that the three GaMD trajectories started from the Bound state (Fig. 1A) plus the 100–1200 ns trajectory of Sim1, 850–1200 ns trajectory of Sim3, 800–1200 ns trajectory of Sim5 and 1100–1200 ns trajectory of Sim6 started from the Unbound state (Fig. 1B) were used for RMSF calculation of the system in the Bound state. The 13 GaMD trajectories that started from the Unbound state and did not capture RNA binding (Sim7-Sim19 in Fig. S1) were used for RMSF calculation of the system in the Unbound state (Fig. 1B).