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. 2016 Feb 12;7:143–147. doi: 10.1016/j.dib.2016.02.017

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© 2016 The Authors

This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

PMC Copyright notice

Fig. 1. — Aβ42wt peptide (PDB: 2OTK:C) and variants F19D, F19D/L34P were modeled and analyzed using A3D in both Static and Dynamic Mode. The protein surfaces shown at 0° and 180° are colored according to A3D score in a gradient from: red (high-predicted aggregation propensity) to white (negligible impact on protein aggregation) to blue (high-predicted solubility). Both Static and Dynamic prediction modes show reduced surface-aggregation propensity in the designed variants when compared with the Aβ42wt.