Figure 7.

Percentage of total simulation time that selected residues spent in α-helical or a β-strand conformation. I-NtrC^r (A), P-NtrC^r (B) and ${\text{BeF}}_3^{-}-{\text{NtrC}}^r$ (C). Equilibration run is in black, 1st ns is in blue, 2nd in green, 3rd in red and 4th in orange.