Figure 5.

Representative snapshots from simulations with ${\text{BeF}}_3^{-}-{\text{NtrC}}^r$. NMR resolved structures of I-NtrC^r and ${\text{BeF}}_3^{-}-{\text{NtrC}}^r$ are also shown. The key helix, α4, is shown in black. Following color codes were used: Thr-82 (blue), Leu-87, Val-91, Tyr-94, Phe-99 (cyan), Tyr-101 (purple), Asp-54 (red), His-84 (green), and Asp-10, Asp-11, Asp-12 (yellow).