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. Author manuscript; available in PMC: 2020 Jun 1.
Published in final edited form as: IUBMB Life. 2019 May 7;71(6):685–696. doi: 10.1002/iub.2057

FIG 4.

FIG 4

Computational umbrella-sampling-based assessment of conformation-based allostery in the Src kinase domain. The free energy landscape shows the presence of “inactive” and “active” conformation basins and also two intermediates. Assembly of the R-spine by activation loop phosphorylation or the L297F/V281F double mutant shifts the Src populations into the “active” basin of the free energy landscape. Data are adapted from references 2123.