Fri, 02/06/2015 - 12:30
#2
Tip for players losing exploration filter
Try to move the protein as a whole to match the starting structure. The filter is space based, not a real RMSD.
Sun, 02/08/2015 - 06:48
#3
Exploration Filter
First thing I did was shift the first helix 1 segment. This alone brought me up to 1.90 exploration. I think the loop on one end is too short. But if I can't shift it, I don't have much room to move.
Residue IE Score: Monitors that all PHE, TYR, and TRP residues are scoring well.
Core Existence: Ensures that at least 30% of the residues are buried in the core of your design.
Fragment Score: Scans for parts of your design that are unlikely to fold up naturally. Use Rebuild and Remix tools to fix these regions of your design!
Secondary Structure Design: Penalizes all CYS residues. Penalizes GLY, ALA, and PRO residues in helices and sheets. Also penalizes hydrophilic residues in the core and hydrophobic residues on the surface.
Exploration: Designs that deviate from the starting structure with RMSD > 2.0Å are invalid.