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1895: Coronavirus Anti-inflammatory Design: Round 13
Status: Closed

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bkoep's picture
User offline. Last seen 10 hours 29 min ago. Offline
Joined: 11/15/2012
Groups: Foldit Staff
Objectives

DDG Score (max +0)
The predicted binding energy of your design. The target DDG is -40.0 or less.

SASA Score (max +0)
The solvent-accessible surface area that is lost upon binding. The target SASA is 1500 or more.

Shape Complementarity (max +0)
Measures how well your binder fits the contours of the target surface. The target Shape Complementarity is 0.60 or more.

Buried Unsats (max +500)
Penalizes 60 points for each polar atom that cannot make any H-bonds. Note that the frozen target includes 3 buried unsats that may be impossible to satisfy.

Residue Count (max +275)
Penalizes extra residues inserted beyond the starting 151, at a cost of 55 points per residue. Players may use up to 156 residues in total.

Core Existence (max +1000)
Ensures that at least 25 percent of residues are buried in the core of the monomer unit.

Ideal Loops (max +500)
Penalizes any loop region that does not match one of the Building Blocks in the Blueprint tool. Use "Auto Structures" to see which regions of your protein count as loops.

SS Design (max +500)
Penalizes all CYS residues. Penalizes GLY, ALA residues in sheets. Penalizes GLY, ALA, SER, THR in helices.

Joined: 09/29/2016
Groups: Gargleblasters
Many thanks!

The lack of default BUNS is so much nicer! Less daunting, less visual clutter, easier to keep track of BUNS... just overall less overwhelming :D

Thank you to everyone who made that happen!

EDIT: You'll probably want to re-adjust the BUNS filter scoring to account for there being fewer to contend with. As right now, it's still scoring based around the previous "baseline" count and thereby allowing our proteins to have like 10 BUNS before actually docking us any points.

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, RosettaCommons