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. Author manuscript; available in PMC: 2019 Jul 5.
Published in final edited form as: J Phys Chem B. 2018 Jun 21;122(26):6673–6689. doi: 10.1021/acs.jpcb.8b02144

Figure 8. Conformational heterogeneity in the Gly-rich loop.

Figure 8

(a) The dPCA landscape for the residues in the Gly-rich loop, constructed using conformations aggregated from the experimental reference structures and MD simulations, maps the conformational heterogeneity in the Gly-rich loop. Black points denote the location of RNase H reference structures (2RN2, 1RIL, 1RCH, 1GOA, 2QKB, 2QK9, and 2QKK) within the dPCA landscape. The blue arrow denotes the region corresponding to the unbound conformation of the Gly-rich loop in solution (b, left). The red arrow denotes the region corresponding to the DNA/RNA bound conformation of the Gly-rich loop in solution (b, right). (c) Conformations sampled by the Gly-rich loop in MD simulations.