Guidelines for computer based structural and functional characterization of protein using the I-TASSER pipeline is described. Starting from query protein sequence, 3D models are generated using multiple threading alignments and iterative structural assembly simulations. Functional inferences are thereafter drawn based on matches to proteins with known structure and functions.
Roy, A., Xu, D., Poisson, J., Zhang, Y. A Protocol for Computer-Based Protein Structure and Function Prediction. J. Vis. Exp. (57), e3259, doi:10.3791/3259 (2011).