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1916b: MERS-CoV Binder Design: Round 4
Status: Closed

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bkoep's picture
User offline. Last seen 10 hours 42 min ago. Offline
Joined: 11/15/2012
Groups: Foldit Staff
Objectives

Buried Unsats (max +500)
Penalizes 60 points for each polar atom that cannot make any hydrogen bonds.

Residue Count (max +275)
Penalizes extra residues inserted beyond the starting 161, at a cost of 55 points per residue. Players may use up to 166 residues in total.

Core Existence (max +1500)
Ensures that at least 25 percent of residues are buried in the core of the monomer unit.

Interaction Energy (max +500)
Monitors that all large PHE, TYR, and TRP residues are scoring well.

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)
Disabled use of CYS residues. Penalizes GLY, ALA residues in sheets. Penalizes GLY, ALA in helices.

SASA Metric (max +1000)
The solvent-accessible surface area that is lost upon binding. The target SASA is 1500 or more.

DDG Metric (max +1000)
The predicted binding energy of your design. The target DDG is -40.0 or less.

SC Metric (max +1000)
Measures how well your binder fits the contours of the target surface. The target Shape Complementarity is 0.60 or more.

Joined: 06/24/2008
Groups: Void Crushers
Scoring Bug

The scoring bug has not gone away.
The high score gets lost and can not be found anywhere.

grogar7's picture
User offline. Last seen 10 hours 22 min ago. Offline
Joined: 10/03/2011
a different scoring bug

The SC metric is awarding 1000 points with the designed binder far away from the target.

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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