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. 2021 May 12;12:2743. doi: 10.1038/s41467-021-22733-9

Fig. 2. Molecular docking of IN-CTD with INI1183-304.

Fig. 2

a Ribbon diagram of bound complex of INI1183-304/CTD model obtained from HADDOCK. b Surface structure of INI1183-304/CTD modeled complex. c Electrostatic surface; negatively charged (red), positively charged (blue) and hydrophobic (white). de Exploded views of the interface residues, displaying the ionic interactions (d), and hydrophobic non polar interactions (e). f Representation of the regions between INI1183-304/CTD showing a hydrophobic tunnel enclosed by ionic bonds at the two ends. In all panels, INI1183-304 and its residues are shown in pink, and IN-CTD and its residues are shown in blue. Orange dotted line with arrow represents the hydrophobic tunnel. PDB file of this docked model is included in Supplementary Data 1.