Figure 3. Pockets revealed from unbiased simulations.

(A) Cavities identified on Nsp1_N along the 1 μs unbiased molecular dynamics (MD) simulation, namely pocket 1 (purple) and pocket 2 (green), with the main residues displayed in sticks. (B) The volume distribution of each pocket along the unbiased MD simulations.

Figure 3—figure supplement 1. Time average of the root-mean-square deviation (RMSD) for Nsp1_N.

The black shaded area delimits the RMSD values within two standard deviations from the time average.