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. 2016 Jun 2;6:27314. doi: 10.1038/srep27314

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Copyright © 2016, Macmillan Publishers Limited

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(A) Overview model of WT hDAT in the outward-occluded state. hDAT is in cyan cartoon style. TM1b, TM10a, and EL6 are in purple, green, and orange, respectively. Details of local structure in the dashed box is showed in panel B. (B) Local view of the hydrophobic region around Y470. Key hydrophobic residues and H547 are showed in stick-ball style. (C) PMF-simulated free energy profile of Y548 unbinding from Y470 as a function of distance between the Cα atoms of Y548 and Y470. (D) Tracked changes of the positional RMSD values for the Cα atoms of WT hDAT and its H547A, H547P, and Y470H mutants in the outward-occluded state.