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Illustration of the main active site channels of aromatase found by MOLE, with the transmembrane helix hidden for clarity, from a top-down view of the protein looking through the membrane. The S channel is in cyan, the 2d channel is in green, and Channel 5 is in purple. A) Channels in the second cluster representative of the trajectory with a deprotonated Asp-309 residue. B) Channels in the first cluster representative of the trajectory with a protonated Asp-309 residue..
