Fourier self-deconvolution (FSD) of the absorbance spectrum of the CT fiber and the fitted component bands assigned to β-sheets. The deconvolution and the fitting were done to calculate the β-sheets organizational index.



METHODS
In order to discriminate between parallel β-sheets and anti-parallel β-sheets, we used the β-sheet organizational index, described by Celej et al.. To calculate the β-sheet organizational index, the spectra were subjected to a slightly different protocol for Fourier self-deconvolution (FSD) using a Lorentzian deconvolution factor with a full width at half height (FWHH) of 20 cm-1 and a Gaussian apodization factor with FWHH of 13.33 cm-1 to obtain a resolution enhancement factor K = 1.5. After a baseline subtraction using baseline points at 1710 cm−1 and 1580 cm−1, the deconvoluted spectra were fitted with 8 component bands according to the original publication. The ratio between the maximum absorbance of the high and low wavenumber β-sheet bands (after fitting) is considered the ‘β-sheet organizational index’. This study uses the 1695 cm-1 band as high wavenumber band and the 1624 cm−1 band as low wavenumber band. 


FILE FORMAT
.csv text data