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Indirect effect of N431 on addition of water. Lowest energy structure from docking 13R-sclareol (2a) into a representative homology model for SsSS (see Figure S8 for others). SsSS is shown in cartoon format, the grey dotted line between the co-product pyrophosphate-Mg2+ complex and 2a illustrates the constraint used in docking, the 13R-hydroxyl in 2a is shown as a red sphere, and the residues mutated here shown as sticks – N431 in light grey, S433 and T436 in dark grey.
