PySSA aims to combine PyMOL and ColabFold to enable the prediction and analysis of 3D protein structures for the scientific end-user. v1.0 has been released on July 10, 2024.
Result of a CheShift analysis. Colors indicate the difference between predicted and observed 13Cα and/or 13Cβchemical shifts values averaged over all uploaded conformers. Green, yellow and red colors represent small, medium and large differences, respectively. White is used if either the prediction failed or the observed value is missing. Blue is used to highlight residues for which the agreement between observed and predicted 13Cα and 13Cβchemical shifts can be improved, i.e., if the (χ1 /χ2 ) side-chain
CheShift (pronounced /tʃeʃɪft/) is a software for prediction of 13Cα and 13Cβ chemical shifts and validation of proteins structures. It is based on the idea that the ..→