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(A) Ribbon representation of the autoinhibited p47phox structure (PDB code 1NG2). (B–D) Water high residence densities represented as grids are displayed for sSH3 (calculated over the entire simulated time), for ED1ev (calculated over the last 2 ns of ED), and for sSH3-DP (calculated over the last 2 ns of MD simulation), respectively. In the close-up views (blown-up rectangles), the residues participating in interactions with the water molecule for sSH3 and sSH3-DP are shown.
