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. 2022 Mar 31;126(14):2647–2657. doi: 10.1021/acs.jpcb.2c00131

Figure 6.

Figure 6

RMS descriptors of the enhanced sampling trajectories. (a) RMSD values calculated by first fitting the Cα of the PAS-GAF region to a reference structure. (b) RMSF values calculated for each residue of Pr and Pfr. Dots indicate RMSF values for most fluctuating residue regions. The first curve is the Pr trajectory with a reference structure of the Pr X-ray while the second trajectory (Pfr) is the Pfr trajectory with a reference given by the Pfr X-ray state. For the structures of Pr and Pfr colored by the RMSF values, see Figure S12.