Hot spot detection software tools | Protein structure data analysis
Most molecular and cellular processes are controlled by protein–protein interactions. Proteins interact through interfaces. The energy distribution along the interface region is not homogenous; certain residues contribute more to the binding free energy, called ‘hot spots’.
Provides automated structure prediction and analysis tools to infer protein structural information from genomic data. Robetta uses a fully automated implementation of the Rosetta software package for protein structure prediction. The software parses input sequences into domains and builds models for domains with sequence homology to proteins of known structure using comparative modeling, and models for domains lacking such homology.
Allows to determine computational hot spots in protein interfaces. HotPoint is a web server based on solvent accessibility and pair potentials which allows online calculation for all protein interfaces within practical running times. The software tabulates residue level features and prediction results for a given protein complex which are also downloadable. It can be useful both for the experimentalists and computational scientist working on protein recognition, modeling of protein complexes and drug design.
Identifies automatically hot spots and design of smart libraries for engineering proteins’ stability, catalytic activity, substrate specificity and enantioselectivity. HotSpot Wizard integrates sequence, structural and evolutionary information obtained from 3 databases and 20 computational tools. The method provides comprehensive annotations of protein structures and assists protein engineers with the rational design of site-specific mutations and focused libraries.favourite protein and for the design of mutations in site-directed mutagenesis and focused directed evolution experiments.
Allows users to detect binding hot spots in protein-protein interfaces. KFC Server is web application that investigates chemical and physical features into a macromolecular structure to point it out characteristics signaling important binding contacts. The interface provides an optional functionality that permits to run the original algorithm. Besides, it also includes a job viewer including a molecular viewer coupled to a control panel.