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Figure 4
An MD snapshot guides remodeling of Lys217. (a) Coordinates, 2Fo − Fc density (blue, 1σ isosurface) and Fo − Fc density (positive in green, negative in red, 3σ isosurface) from the ensemble-refinement model E: the Lys217 amino group is diverse and includes extensions into off-backbone density and positive difference density where the phosphate was placed in the Rf structure (Fig. 3 ![]() |