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. 2019 Apr 2;27(4):703–712.e3. doi: 10.1016/j.str.2018.12.007

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© 2018 MRC Laboratory of Molecular Biology. Published by Elsevier Ltd.

This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

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Entropic Effects of EC and IC Regions in Various Conformational States

(A) Torsional entropy of the residues in the extracellular (EC) and intracellular (IC) regions of A_2AR in various conformational states when bound to agonists NECA (solid colored bars) and ADO (white bars). The torsional entropy is shown in units of the Boltzmann constant k_B.

(B) The thermal B factor calculated from the root-mean-square fluctuations (RMSF) using the formula B factor = (8π²/3) (RMSF)² of the C_α atoms in the EC regions are shown as a heatmap for the four conformational states of A_2AR.