Figure 5:
Association rate constants between CaN peptide and CaM before (a) and after (b) taking CaN peptide’s conformational dynamic (from MSM modeling) into con-sideration using Eq. 3. The bars without grids and with grids depict results in which CaN peptide conformations were sampled at 0.15 M and 1.5 M ionic strength, respectively. In (a), kon was calculated via Eq. 2 where kCterm and KNterm are the average values of ten randomly selected conformations from each peptide’s open state. In (b) the numbers above each bar represent the ratios of keff to kon.