Figure 4.

Top: Average properties during the 7th ns of simulations with ${\text{BeF}}_3^{-}-{\text{NtrC}}^r$ (red), ${\text{BeF}}_3^{-}-{\text{NtrC}}^r-\text{P}$ (green), and ${\text{BeF}}_3^{-}-{\text{NtrC}}^r-\text{P}-\text{Hsp}84$ (blue): A) secondary structure, B) RMSFs of average structures of individual simulations, C) RMSDs from the initial structure. D) RMSD values of the ${\mathrm{\text{BeF}}}_3^{-}-\mathrm{\text{Ntr}}{\mathrm{C}}^r$ simulations from the initial structures of ${\text{BeF}}_3^{-}-{\text{NtrC}}^r$ (red) and I-NtrC^r (cyan). E) Position of helix α4 in initial NMR structures of ${\mathrm{\text{BeF}}}_3^{-}-\mathrm{\text{Ntr}}{\mathrm{C}}^r$ (gray) and I-NtrC^r (white), and in average structures of ${\text{BeF}}_3^{-}-{\text{NtrC}}^r$ (red), ${\text{BeF}}_3^{-}-{\text{NtrC}}^r-\text{P}$ (green), and ${\text{BeF}}_3^{-}-{\text{NtrC}}^r-\text{P}-\text{Hsp}84$ (blue). The positions were plotted after residues 5-55 were aligned in VMD [39].