Predictions of fibrillation-prone regions of the CT sequence. The CT sequence with the positions of the helices in the model of the soluble CT shown as comparison. Amino acid residues with β-sheet chemical shifts from ssNMR are indicated in red. Computational analysis using ZipperDB fibrillation propensity and theoretical inter-sheet distances in combination with TANGO cross-β aggregation at pH 7 and pH 4 suggest hotspots for possible formation of β-sheets.


METHODS
To identify fibrillation prone segments the servers of ZipperDB and TANGO were used: https://services.mbi.ucla.edu/zipperdb/ and http://tango.crg.es/, respectively. For TANGO analysis, the standard configuration was: 298.15 K, ionic strength = 0.02 M, concentration = 1 M, for both pH 4 and pH 7. The normalized Kyte & Doolittle hydropathicity was determined with https://web.expasy.org/protscale/.

FILE FORMAT
.csv text data
