Accuracy of inter-residue distance prediction for adenine-binding proteins from the SOIPPA dataset.

The Pearson correlation coefficient (PCC) and the mean squared error (MSE) are calculated for the actual pairwise Cα-Cα distances upon the superposition of binding ligands and those predicted by SVR from residue-level scores. The accuracy is reported separately for different binding ligands and target protein conformations including crystal structures, high- and moderate-quality protein models.aPearson correlation coefficient.bMean squared error in Å.Accuracy of inter-residue distance prediction for adenine-binding proteins from the SOIPPA dataset.本研究针对经结合配体叠加后的实际成对Cα-Cα原子间距，以及基于残基水平分数通过支持向量回归（Support Vector Regression，SVR）预测得到的对应间距，计算了皮尔逊相关系数（Pearson Correlation Coefficient，PCC）与均方误差（Mean Squared Error，MSE）。 针对不同结合配体与靶蛋白构象（包括晶体结构、高质量及中等质量蛋白模型）分别报告了预测精度。 a. 皮尔逊相关系数；b. 以埃（Å）为单位的均方误差。 本数据集为SOIPPA数据集中腺嘌呤结合蛋白的残基间距离预测精度。