蛋白质结构构象呈现明显的规律,研究其在特定构象空间的分布对蛋白质结构预测和模拟具有重要意义。本文以449个非冗余的高分辨串蛋白质结构为材料,以Ga-Ga距离向量代表蛋白质片段。然后利用主成分分析方法,建立蛋白质片段构象空间的可视化构图,并且单个蛋白质分子可以映射到该空间形成一个顺序连接的路径。从而,可以很直观的分析各长度片段(4-9个残基的片段)的分布情况及其内在的连接关系。图形显示了明显的聚集性,以及各种类型片段与二级结构明显的对应关系。
Research on conformafional space of protein structure in which proteins take dear regulation plays key role in protein structure prediction and simulation. In this study we make use of 449 nonredundant and high - resolution proteins and represent fragnent based on Ca - Ca distances. Then visualization of conformational space for protein structure fragments is built based on principal component analysis method. And every protein structure can be projected into the space, which form a ordering path. So we can observe the distribution of fragments(4 - 9 residue fragment)and its linkage relationship. The maps bear on distince congregation and every kind fragment corresponding to clear secondary structure.