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. Author manuscript; available in PMC: 2020 May 14.
Published in final edited form as: J Chem Theory Comput. 2019 Apr 12;15(5):3134–3152. doi: 10.1021/acs.jctc.9b00061

Figure 6.

Figure 6.

a-ARM models. Conformational (the occupancy factor of the rotamers Asp-116 and Gln-157 are presented in parentheses) and ionization state variability for KR2 [PDB ID 3X3C] (A), BPR [PDB ID 4JQ6] (B), RCone (C) [PDB ID template 1U19], bRAT [PDB ID 6G7H] with standard (D) and modified cavity (E). MC and SC are presented as cyan and violet tubes, respectively.