基于结构比较的蛋白质模建系统及其评估

对蛋白质三维结构的同源模建的所有关键模块作了详细研究后，现已整合成蛋白质结构模建的软件系统ＰＭＯＤＥＬＬＩＮＧ。它分主链模建和侧链安装两部分，共七个模块组成。经１１族同源蛋白的模建实验的回顾性检表明，与目前流行的商品软件相比，具有操作自动化，模建精度高和运行时间少的优点。文中还对蝮蛇蛇毒磷酯酶，细胞因子受体ＣＤ４０的配体ｇｐ３９，小鼠巨细胞蛋白酶和人白介素１３等至今未知结构的蛋白作了预测性模建。

A KNOWLEDGE-BASED PROTEIN MODELING SYSTEM AND ITS EVALUATION

Based on previous elaborate researches on knowledge-based protein modeling, a new software of modeling a protein of known sequence but unknown structure from structures of homologous proteins is integrated. It consists of two major components, the backbone modeling and side-chain placement, totally including seven modules. The restilts of 11 families of protein modeling show that the system is of the advantages of high pration, less CPU-time and full automation. This paper also predictively models other four proteins, whose structures are unknown nowadays (a neutral phospholipase A2, a lignad for CD40, mouse mast cell protease and human interleukin-13).