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. 2023 Feb 6;17:1110311. doi: 10.3389/fnins.2023.1110311

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Copyright © 2023 Roldán-Martín, Sodupe and Maréchal.

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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Atoms chosen for the horizontal distance (A), vertical distance (B), 11–15 β-strand intersheet distance (C) and opening of the 1–18 region (D) represented in the solid-state NMR (ss-NMR) model. Results of the horizontal (E), with an average distance of 24.6 (± 5.6)Å, 25.2 (±1.6)Å and 25.5 (±10.9)Å for metal-free, Cu(II) and Al(III) systems; vertical (F), with an average distance of 19.9 (±0.3)Å, 18.7 (±0.2)Å and 18.8 (±0.2)Å for metal-free, Cu(II) and Al(III) systems; intersheet (G); with an average distance of 19.3 (±5.2)Å, 26.06 (±1.1)Å and 21.5 (±0.7)Å for metal-free, Cu(II) and Al(III) systems; and opening (H), with an average distance of 32.1 (±0.4)Å, 29.6 (±0.5)Å and 23.1 (±0.4)Å for metal-free, Cu(II) and Al(III) systems; along the MD simulation, with ss-NMR distance represented in yellow line.