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. 2020 Nov 24;7:609088. doi: 10.3389/fmolb.2020.609088

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Copyright © 2020 Fernández-Quintero, Kroell, Heiss, Loeffler, Quoika, Waibl, Bujotzek, Moessner, Georges and Liedl.

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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(A) Influence of affinity maturation on the relative interface and elbow angle distributions. The D44.1 Fab (colored in cyan) reveals a broader interface and elbow angle distribution compared to the matured F10.6.6 antibody. The calculations of the FFT of the respective distributions are displayed, showing the angle variations occurring faster than 1 ns, between 0.1 and 10 ns, and slower than 10 ns. (B) Histograms of the respective interface and elbow angle distributions, including the respective X-ray structures of the affinity maturation pair D44.1 and F10.6.6, which were used as starting structures for molecular dynamics simulations.