The iterative threading assembly refinement (I-TASSER) framework operates on the principle that three-dimensional protein structure can be predicted with high accuracy by combining threading algorithms, which identify structural templates based on sequence similarity, and fragment assembly to generate specific atomic models. The theoretical validity of a prediction is quantitatively assessed using C-score metrics derived from template alignment quality and normalized Z-scores to evaluate secondary structure propensity, solvent accessibility, backbone flexibility (B-factors), and the potential for ligand binding or enzymatic activity inferred directly from structural homologs within protein sequence space. This concept belongs to the domain of computational bioinformatics and molecular biology, serving as a critical bridge between primary amino acid sequences and tertiary structural states in proteomics research.
The iterative threading assembly refinement (I-TASSER) framework operates on the principle that three-dimensional protein structure can be predicted with high accuracy by combining threading algorith…