Allosteric conformational change cascade in cytoplasmic dynein revealed by structure-based molecular simulations
Fig 2
The power-stroke simulations in the standard setup.
(A) A representative trajectory of the reaction coordinates χ for the eight modules along the MD step. (B) The order map. Each square represents the probability that the transition in the region in the horizontal axis occurred before that in the region in the vertical axis over 30 trajectories. (C) The pair rate map representing k(b|a). (D) The sorted order map. The data in (B) is rearranged so that the summation in each column is in descending order. The same color code is used as in Fig 1.