Figure 2 | Scientific Reports

Figure 2

From: Conformational preludes to the latency transition in PAI-1 as determined by atomistic computer simulations and hydrogen/deuterium-exchange mass spectrometry

Figure 2

Localized dynamics in active and latent PAI-1. (a) The average Cα-RMSF values from the four replicate one-microsecond simulations on active PAI-1 and the two one-microsecond simulations on latent PAI-1 are indicated as bright red and blue lines, respectively. The average Cα-RMSF values +/− one standard deviation are shown for active and latent PAI-1 as pale red and pale blue lines, respectively. Secondary structural elements are depicted above the plot for reference. The RCL is colored orange, α-helices are colored grey, β-strands from β-sheet A, B and C are colored red, blue and green, respectively. The average Cα-RMSF values from the simulation on active PAI-1 and the simulation on latent PAI-1 are indicated on the structure of (b) active and (c) latent PAI-1 according to the color scale shown in (d). The range of this color scale is indicated by the grey area in (a).

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