/Bagel-Foldit

Foldit model of BglB for the Bagel project

This repository contains a macromolecular model of BglB that is used for design efforts in the Siegel group's Bagel project. Four files are included:

  • pNPG.params, Rosetta params file
  • pNPG.conf.pdb, three different low-energy conformers of the pNPG molecule
  • pNPG.enzdes.cst, RosettaMatch-style constraints (deprecated)
  • pNPG.cnstr, harmonic Rosetta constraints (preferred!)
  • bglb.pdb, relaxed model of BglB-pNPG complex

Instructions for using Foldit for enzyme design

Use the instructions for using the protein editor Foldit Standalone for designing your point mutations