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.

Note: As of June 2017, there are two copies of Foldit floating around, and they use different constraint file formats. Foldit Standalone, the current version of Foldit, uses the constraint file BglB-pNPG.cnstr. The older version of Foldit uses the pNPG.enzdes.cst file.

The files in this repo are:

• pNPG.params, Rosetta params file
• pNPG.conf.pdb, low-energy conformers of the pNPG molecule
• pNPG.enzdes.cst, RosettaMatch-style constraints (for old versions of Foldit)
• BglB-pNPG.cnstr, harmonic Rosetta constraints (for Foldit Standalone)
• bglb.pdb, XYZ coordinates 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