FIG. 3.

Structural representation of the calculated Pi-release pathways (left) along with their relative probabilities (right) in the three Dicty myosin II structures. Six distinct exit routes were identified: the backdoor I (red), backdoor II (blue), side (cyan), frontdoor (violet), rear (green), and top (yellow) paths. The simulations show that all escape paths can be visited in the three myosin states though with different probabilities. The most populated path per structure is given in larger spheres. On the right-hand side, release probabilities per path are shown as a function of the temperature of the ligand. The dominant path for Pi release is shown to be backdoor I for both the pre-powerstroke and post-rigor structures, and backdoor II in rigor-like.