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. 2009 Aug 28;5(8):e1000487. doi: 10.1371/journal.pcbi.1000487

Figure 9. MD simulations of the ABL-SH2-SH3 regulatory complex in the inactive Form.

Figure 9

Upper Panel: Color-coded mapping of the averaged protein flexibility profiles (RMSF values) from MD simulations in the inactive form (pdb entry 2FO0). The mapping is presented for ABL-WT (A) and ABL-T315I (B). The color-coded sliding scheme is the same as was adopted for Figure 3. Lower Panel: The RMSD fluctuations of Cα Atoms (C) and the RMSF values of Cα Atoms (D) from MD simulations. MD simulations of ABL-WT (in blue), and ABL-T315I (in red) were performed using the downregulated inactive ABL form (“side-to-side”) (pdb entry 2FO0).