DisVis

DisVis calculates and visualizes the reduced accessible interaction space of distance-restrained binary protein complexes and quantifies the information content of distance restraints.

Key Features:

• Visualization and Quantification: Visualizes interaction spaces and quantifies the information encoded by distance restraints.
• Six-dimensional Search: Performs an exhaustive six-dimensional search (three translational and three rotational degrees of freedom) to identify complex configurations consistent with restraints.
• Output Metrics: Produces percentage-of-restraints-violated metrics and density maps representing center-of-mass positions of the scanning chain where the maximal number of consistent restraints is observed.
• Integration with FFT-based Docking: Operates as a knowledge-based distance energy term that can be incorporated into Fast Fourier Transform (FFT)-based docking sampling.

Scientific Applications:

• Protein Docking: Provides spatial constraint information to refine docking predictions and identify feasible complex configurations.
• Structural Validation: Assesses consistency of experimental distance restraints with structural models by reporting restraint violations and spatial distributions.
• Energy-term Integration: Supplies a knowledge-based distance energy contribution for computational docking workflows using FFT.

Methodology:

Performs an exhaustive six-dimensional (three translational, three rotational) search constrained by distance restraints, generates density maps of scanning-chain center-of-mass positions and restraint-violation statistics, and can be applied as a knowledge-based distance energy term within FFT-based docking.