Extended Data Fig. 1|. Interdomain twist angles and global projection metric values for six arrestin-1 simulation conditions.

Dashed lines indicate the interdomain twist angles in the inactive (0°) and active (18°) state crystal structures and the projection metric values in the inactive (0.0 Å) and active (8.15 Å) state structures. Thick traces indicate the moving average smoothed over a 50-ns window, and thin traces represent unsmoothed data. For each simulation, a pair of plots is shown, one immediately above the other. The top plot (dark colours) shows the interdomain twist angle. The bottom plot shows the projection metric, an alternative means of capturing global conformational change. In one simulation (red box, lower right corner), the R_P tail became unbound from arrestin, which resulted in inactive twist angles. All other simulations in that condition maintained stable binding to the R_P tail.