Labesse G, Mornon J
Systèmes Moléculaires et Biologie Structurale, Laboratoire de Minéralogie-Cristallographie, Universités Paris, Cedex, France.
Bioinformatics. 1998;14(2):206-11. doi: 10.1093/bioinformatics/14.2.206.
Protein sequence comparison has become a major tool for biologists. Various methods have been designed in order to reveal even remote homologies among proteins. Sequence analyses are powerful, but the lower the identity score, the more skill and time are required to perform them accurately. While necessary to confirm the sequence comparison through the potential of mean force, sequence alignment and molecular modelling are still tedious and time-consuming tasks.
In order to help sequence threading onto known three-dimensional (3D) structures, we have developed a new program, named TITO (Tool for Incremental Threading Optimization), which uses a multiple alignment to validate and help the refinement of a sequence/structure comparison. It measures the compatibility of a family of related sequences with a known 3D structure. The coordinates of the common core are extracted, allowing further molecular modelling and 3D survey.
TITO is available by anonymous ftp at: ftp://lmcp.jussieu. fr/pub/tito
http://www.lmcp.jussieu.fr/ approximately labesse/TITO/TITO.html
蛋白质序列比较已成为生物学家的主要工具。为了揭示蛋白质之间即使是很遥远的同源性，人们设计了各种方法。序列分析功能强大，但序列同一性得分越低，准确进行分析所需的技巧和时间就越多。虽然通过平均力势能来确认序列比较是必要的，但序列比对和分子建模仍然是繁琐且耗时的任务。
为了帮助将序列嵌入已知的三维（3D）结构，我们开发了一个名为TITO（增量嵌入优化工具）的新程序，它使用多重比对来验证并帮助完善序列/结构比较。它测量一组相关序列与已知3D结构的兼容性。提取共同核心的坐标，以便进行进一步的分子建模和3D研究。
可通过匿名ftp在以下地址获取TITO：ftp://lmcp.jussieu.fr/pub/tito
