FoldDesign Results for Example

[click results.tar.bz2 to download all results on this page]

 Final Designs

Click to view     Descriptiona     Download Link           FoldDesign Energy     Relative Cluster Sizeb    
Lowest Energy     Download Design -398.6 N/A
Cluster 1     Download Design -337.5 17.6%

a Designs are selected from the lowest energy structure produced during the FoldDesign simulations, as well as the largest cluster using SPICKER to cluster the simulation decoys.

b Calculated based on the number of designs in the cluster divided by the total number of generated designs.

Download all structures generated during the FoldDesign simulations

Note, this is the raw simulation trajectory file, where the resulting designs will have unrefined structures and poly-Valine sequences. You may wish to download the standalone package, which includes tools for structure refinement and sequence design.

 Input Summary

1.Robin Pearce, Xiaoqiang Huang, Gilbert S. Omenn, Yang Zhang. De Novo Protein Fold Design by Assembling Structural Fragments Under the Guidance of an Optimized Force Field. Submitted, 2022.