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The four conformations of BMS-626529 docked into UNLIG gp120 from Set-1. Rotation of torsion-3 (purple) to the other minimum generates Set-2 and rotation of Set-1 and -2 about the long axis by ∼90 degrees generates Set-3 and -4, respectively. Key gp120 residues that are in close contact with the docked pose are shown. Dotted line depicts hydrogen bond.
