PROSPECT-PSPP

PROSPECT-PSPP performs comprehensive protein structure prediction and model generation, encompassing preprocessing, secondary structure prediction, threading-based fold recognition using PROSPECT, and atomic structural model generation.

Key Features:

• Preprocessing: Performs sequence preprocessing from raw protein sequences prior to prediction steps.
• Secondary Structure Prediction: Predicts protein secondary structure as an intermediate step toward fold identification.
• Fold Recognition: Uses the threading-based program PROSPECT to identify likely structural folds by comparing sequences to known structures.
• Atomic Structural Model Generation: Generates atomic-resolution structural models based on fold recognition results.
• Workflow Automation: Automates sequential prediction steps from preprocessing through model generation for large-scale analyses.

Scientific Applications:

• Functional Annotation: Infers protein function from predicted structural models.
• Drug Discovery and Design: Supports identification of potential drug targets and structure-based design of interacting molecules.
• Genomic Research: Facilitates annotation of newly sequenced genomes by predicting structures and functions of encoded proteins.

Methodology:

Computational steps explicitly include sequence preprocessing, secondary structure prediction, threading-based fold recognition using PROSPECT, atomic structural model generation, and SOAP-based integration for sharing and tool interoperability.