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Ensemble of structures of A3G monomer, determined in molecular docking calculations. (a, b) Overlaid A3G structures aligned with respect to the CTD (red) or NTD (blue). (c) Two representative structures of A3G monomer, determined by clustering of the complete ensemble. CTD (red) of the two structures are aligned. (d, e) DNA/RNA-interacting residues (cyan spheres) or Vif-interacting residues (yellow spheres), shown for the two representative structures displayed in panel c.
