Figure 3.

Time series of the bending angle along 10 independent simulations of Models M1–M6. The top five rows (red) represent peptides with a protonated histidine and the bottom five rows (blue) represent peptides with a neutral hinge histidine, over the first 300 ns of the trajectories of each model. (Columns 1 and 2) M1 and M2 systems are from the His¹¹¹ group, whereas M3–M6 systems represent systems from the His¹⁰⁶ group. A running-average window of 3 ns has been used.