Department of Physics, Sapienza University, Piazzale Aldo Moro 500-184 Rome, Italy.
Istituto Pasteur Italia-Fondazione Cenci Bolognetti, Viale Regina Elena 291, 00161 Rome, Italy.
Nucleic Acids Res. 2017 Jul 3;45(W1):W17-W23. doi: 10.1093/nar/gkx334.
PIGSpro is a significant upgrade of the popular PIGS server for the prediction of the structure of immunoglobulins. The software has been completely rewritten in python following a similar pipeline as in the original method, but including, at various steps, relevant modifications found to improve its prediction accuracy, as demonstrated here. The steps of the pipeline include the selection of the appropriate framework for predicting the conserved regions of the molecule by homology; the target template alignment for this portion of the molecule; the selection of the main chain conformation of the hypervariable loops according to the canonical structure model, the prediction of the third loop of the heavy chain (H3) for which complete canonical structures are not available and the packing of the light and heavy chain if derived from different templates. Each of these steps has been improved including updated methods developed along the years. Last but not least, the user interface has been completely redesigned and an automatic monthly update of the underlying database has been implemented. The method is available as a web server at http://biocomputing.it/pigspro.
PIGSpro 是广受欢迎的 PIGS 服务器的重要升级版本，用于预测免疫球蛋白的结构。该软件已使用 Python 完全重写，遵循与原始方法类似的流水线，但包括在各个步骤中发现的相关修改，以提高其预测准确性，如下所示。流水线的步骤包括选择通过同源性预测分子保守区域的适当框架；对该分子部分的目标模板对齐；根据规范结构模型选择超变环的主链构象，预测完整规范结构不可用的重链（H3）的第三个环，并包装如果源自不同模板的轻链和重链。这些步骤中的每一个都得到了改进，包括多年来开发的更新方法。最后但同样重要的是，用户界面已完全重新设计，并实现了底层数据库的自动每月更新。该方法可作为网络服务器在 http://biocomputing.it/pigspro 上使用。
