SAXS data and analysis on KISS1.

<p>(A) Logarithmic (top) and Kratky (bottom) representations of SAXS intensity versus momentum transfer <i>s</i> (open circles). (B) Averaged back-calculated curves derived from a statistical random coil ensemble (black line) and EOM selected sub-ensemble (red line). The goodness-of-fit is indicated by χ² values. The bottom panel shows the residuals of the fitting for both conformational ensembles. (C) Distribution of the radius of gyration, Rg, in the random coil ensemble (gray-bars) and EOM selected sub-ensemble, where a shoulder peak around 50 Å contains ca. 30% of all conformers.</p

KISS1 residue plots of secondary chemical shifts for backbone and C^β nuclei referenced against their random coil values [33].

<p>The large deviation of C^β for C53 is not due to cisteine oxidation. The measured value of 27.89 ppm indicates a reduced side chain [<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0172507#pone.0172507.ref051" target="_blank">51</a>].</p

KISS1 is monomeric and has little secondary and no tertiary structure in solution.

<p>(A) Size exclusion chromatogram of KISS1 (thin line and axis to the left), and molar mass derived from MALS (thick line and axis to the right). (B) CD spectrum of KISS1 at 25°C. (C) Thermal denaturation as measured by changes in the mean residue molar ellipticity at 222 nm.</p

Amino acid sequence features and backbone dynamics of KISS1.

<p>The sites of proteolytic processing by furin are indicated with arrows F. The site of peptidyl-glycine-α-amidating monooxygenase (PAM) action that converts G122 into an amide is indicated by arrow P. The black line shows the predicted disorder tendency (left axis), the grey line shows the normalized bulkiness along the polypeptide chain (left axis), and the bars show the backbone amide ¹⁵N T₂ relaxation times (right axis). The bulkiness was calculated with the ProtScale tool in the expasy web server (<a href="http://web.expasy.org/protscale/" target="_blank">http://web.expasy.org/protscale/</a>) with a window size of 9.</p