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The 10 structural models with the lowest associated energy from 1000 calculated structural models were used to prepare figures using the PyMOL Molecular Graphics System, Version 2.4 (Schrdinger, LLC)

Edited by: Professor Mauro Piacentini Rights and permissions Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made

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