ProScan Structure-Based Proline Design Tool

ProScan evaluates proline substitutions at each position of an input protein structure using backbone angles, energetic scores, and deep learning-based scores to identify designs for protein stability and vaccine antigen targets.

Key Features:

• Backbone Angle Assessment: ProScan assesses backbone angles for proline substitutions at each position of an input protein structure.
• Energetic Scoring: ProScan evaluates energetic scores for proline substitutions to predict stability effects.
• Deep Learning-Based Scoring: ProScan computes deep learning-based favorability scores for proline substitutions.
• Interactive Visualization: ProScan provides interactive visualization of backbone angles and candidate substitution sites on structures.
• Benchmarking: ProScan was benchmarked against datasets of proline substitution stability effects from deep mutational scanning and thermodynamic measurements.

Scientific Applications:

• Vaccine Antigen Engineering: ProScan enables identification and prioritization of proline designs for prospective vaccine antigen targets, including known favorable proline substitutions for viral antigens.
• Protein Stability Engineering: ProScan supports designs to favor stability of key protein conformations through structure-based proline substitution.
• Protein Conformation Control: ProScan facilitates control of protein conformations and dynamics through structure-based design by exploiting proline's unique cyclic side chain to favor and rigidify key backbone conformations.

Methodology:

ProScan assesses backbone angles, energetic and deep learning-based favorability scores, and other parameters for proline substitutions at each position of an input protein structure.