|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.
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.
|>Example (104 residues)|
|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.|