SAXS data-assisted two-stage multi-domain protein assembly method

A two-stage multi-domain protein assembly method assisted by SAXS data comprises the steps that under an evolutionary algorithm framework, firstly, population initialization is conducted, and mutation and intersection are conducted on conformations in two stages; secondly, calculating a model similarity difference by using SAXS experimental data to assist a DEMO energy function to select a solution, and meanwhile, maintaining the diversity of conformations in a selection process through a Monte Carlo probability receiving criterion; and finally, simulating and optimizing the generated model possibly containing a plurality of states. The SAXS data assisted two-stage multi-domain protein assembly method provided by the invention is high in sampling efficiency and high in prediction assembly precision. 一种SAXS数据辅助的两阶段多域蛋白质组装方法，在进化算法框架下，首先，种群初始化，分两阶段对构象进行变异，交叉；其次利用SAXS实验数据计算模型相似性差用以辅助DEMO能量函数对解进行选择，同时通过蒙特卡洛概率接收准则保持选择过程中构象的多样性。最后通过模拟优化产生的可能包含多个态的模型。本发明提供一种采样效率高、预测组装精度高的SAXS数据辅助的两阶段多域蛋白质组装方法。