Targeted molecular dynamics (tMD, ) simulations were performed using Amber 18 interfaced with PLUMED v2.5 . Four systems were subjected to tMD simulations, with 20 replicas were performed per system. System preparation was performed as described in the Supporting Information. After testing several combinations of steering forces and pulling times we settled on using a pulling force of 75 kcal mol -1 over the course of 30 ns as this combination satisfied Jarzynski's equality (RMSD vs. time is a relatively smooth diagonal line, see Figures and, whilst being relatively fast). After first equilibrating each structure to a starting RMSD of 5.0 Å over the course of 5 ns, the backbone RMSD to the target was then progressively decreased to be at 1.0 Å at the end of the 30 ns.