蛋白质结构预测(英语：Protein structure prediction)是指从蛋白质的氨基酸串行中预测蛋白质的三维结构。也就是说，从蛋白质的一级结构预测它的折叠和二级、三级、四级结构。结构预测与蛋白质设计的反问题有着根本的不同。蛋白质结构预测是生物信息学与理论化学所追求的最重要目标之一;它在医学上（例如，在药物设计）和在生物技术上（例如，新的酶的设计）都是非常重要的。每隔两年，当前蛋白质结构预测技术的性能在蛋白质结构预测技术的关键测试（CASP）实验中被评测。蛋白质结构预测的网络服务器连续的评测是由社区项目CAMEO3D执行。

Protein structure prediction is the prediction of the three-dimensional structure of a protein from its amino acid sequence — that is, the prediction of its folding and its secondary, tertiary, and quaternary structure from its primary structure. Structure prediction is fundamentally different from the inverse problem of protein design. Protein structure prediction is one of the most important goals pursued by bioinformatics and theoretical chemistry; it is highly important in medicine (for example, in drug design) and biotechnology (for example, in the design of novel enzymes). Every two years, the performance of current methods is assessed in the CASP experiment (Critical Assessment of Techniques for Protein Structure Prediction). A continuous evaluation of protein structure prediction web servers is performed by the community project CAMEO3D.