Iglesias Jelisa, Sanchez-Martínez Melchor, Crehuet Ramon
Institute of Advanced Chemistry of Catalunya, CSIC; Barcelona, Spain.
Intrinsically Disord Proteins. 2013 Jun 10;1(1):e25323. doi: 10.4161/idp.25323. eCollection 2013 Jan-Dec.
We present SS-map, a tool to visualize the secondary structure content of ensembles of proteins. When generating ensembles of intrinsically disordered proteins, we lose the understanding a single native structure gives for folded proteins. It then becomes difficult to visualize the composition of the ensembles or to detect transient helices such as MoRFs. Conformational propensities for single residues also hide the nature of cooperative structures. Here we show how SS-map describes folded and unfolded ensembles of some peptides and gives a new view of the ensembles used to describe intrinsically disordered proteins with residual structure in computational and NMR experiments. This tool is implemented in an open-source python code located at code.google.com/p/ss-map.
我们展示了SS-map,这是一种用于可视化蛋白质集合二级结构内容的工具。在生成内在无序蛋白质的集合时,我们失去了单一天然结构赋予折叠蛋白质的那种认知。进而难以可视化这些集合的组成,或检测诸如分子识别特征(MoRFs)等瞬态螺旋。单个残基的构象倾向也掩盖了协同结构的本质。在此我们展示了SS-map如何描述某些肽的折叠和未折叠集合,并为用于在计算和核磁共振实验中描述具有残余结构的内在无序蛋白质的集合提供了新视角。该工具通过位于code.google.com/p/ss-map的开源Python代码实现。