Figure 3 | Scientific Reports

Figure 3

From: Exploration of multiple Sortase A protein conformations in virtual screening

Figure 3

Data for the different SrtA structures over the 200 ns MD simulations.

Line color represents: black: apo-SrtA NMR structure; red: holo-SrtA NMR structure; green: apo-SrtA crystal structure; blue: holo-SrtA crystal struture. (A) Cα RMSD; (B) Cα RMSFs; location of α-helices and β-strands indicated above the graph; (C) Radius of gyration. See text for further details.

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