Protein Folding and Conformational Diseases. “SolupHred: A Server to Predict the pH-dependent Aggregation of Intrinsically Disordered Proteins”



Bioinformatics, btaa909, https://doi.org/10.1093/bioinformatics/btaa909


Summary: Polypeptides are exposed to changing environmental conditions that modulate their intrinsic
aggregation propensities. Intrinsically disordered proteins (IDPs) constitutively expose their
aggregation determinants to the solvent, thus being especially sensitive to its fluctuations. However,
solvent conditions are often disregarded in computational aggregation predictors. We recently
developed a phenomenological model to predict IDPs’ solubility as a function of the solution pH, which
is based on the assumption that both protein lipophilicity and charge depend on this parameter. The
model anticipated solubility changes in different IDPs accurately. In this application note, we present
SolupHred, a web-based interface that implements the aforementioned theoretical framework into a
predictive tool able to compute IDPs aggregation propensities as a function of pH. SolupHred is the
first dedicated software for the prediction of pH-dependent protein aggregation.
Availability and Implementation: The SolupHred web server is freely available for academic users at:
https://ppmclab.pythonanywhere.com/SolupHred. It is platform-independent and does not require
previous registration.
Contact: Salvador.Ventura@uab.cat, Valentin.Iglesias@uab.cat
Supplementary Information: Supplementary data are available at Bioinformatics online.