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. 2020 Feb 25;118(7):1665–1678. doi: 10.1016/j.bpj.2020.02.015

Figure 6.

Figure 6

Hydrogen bond probability map. The relative probability of intramolecular hydrogen bond formation is shown for the ensemble of structures extracted from all-atom MD simulations using the results from NN-LSQ CD deconvolution for (A) RRK, (B) RAK, and (C) AAA. Contacts are defined using a 30° angular cutoff and 4 Å distance cutoff between hydrogen bond donor and acceptor residues. Contact probabilities are scaled such that the highest contact probability is 1. To see this figure in color, go online.