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. 2019 Jan 4;6:640. doi: 10.3389/fchem.2018.00640

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Copyright © 2019 Hitzenberger and Zacharias.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Comparison between system 1 and experimental data. (A) Snapshots from system 1, depicting the “in” (blue) and “out” (orange) orientation of Pen-2 by superposition. (B) APH-1a tilting with respect to PS-1 in system 1. (C,D) Depiction of PDB structures 5FN3 (cyan, class 1) and 5FN5 (yellow, class 3) exhibiting very similar structural diversity. The structures were aligned at the C_α atoms of PS-1 TMDs 1, 5, 8, and 9.