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. 2019 Jun 20;117(2):239–246. doi: 10.1016/j.bpj.2019.06.012

Figure 5.

Figure 5

Transient partial unfolding events sampled by aMD. (A) RMSDdihed of αII (residues 24–32) with respect to the starting conformation was calculated from the 5 μs aMD simulation of intact IFABP. (B) Ramachandran plots for individual residues of αI (residues 13–21) and αII (residues 24–32) in the aMD simulation are given. The relative density of points per grid (3.6 × 3.6°), with respect to the highest one, is indicated as follows: 0.0 < gray < 0.01; 0.01 ≤ green < 0.2; 0.2 ≤ blue < 0.4; 0.4 ≤ red < 0.8; 0.8 ≤ black ≤ 1. Areas that were not sampled are colored white. To see this figure in color, go online.