puzzle picture
1898: Coronavirus Binder Design: Round 19
Status: Closed

Groups

RankGroupScorePoints
1Gargleblasters15,142100
2Go Science15,09577
3Contenders15,03058
4Anthropic Dreams15,00243
5Beta Folders14,86731
6Void Crushers14,78822
7Marvin's bunch14,47915
8Russian team14,36511
9Hold My Beer14,3347
10L'Alliance Francophone14,2955
11BOINC@Poland14,2273
12FoldIt@Netherlands12,9162
13Rechenkraft.net11,9961
14practice11,8371
15SETI.Germany11,4601
16Trinity Biology10,8181
17Team Canada7,4771
18Team China6,8541
19Window Group01
20Foldit Staff01


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Comments

bkoep's picture
User offline. Last seen 11 hours 50 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 +320)
Penalizes 60 points for each polar atom that cannot make any hydrogen bonds. Note that the frozen target includes 3 buried unsats that may be impossible for players to satisfy.

Residue Count (max +275)
Penalizes extra residues inserted beyond the 177, at a cost of 55 points per residue. Players may use up to 182 residues in total.

Core Existence (max +2400)
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)
Disabled use of CYS residues. Penalizes GLY, ALA residues in sheets. Penalizes GLY, ALA in helices.

Joined: 06/24/2008
Groups: Void Crushers
Bug in objectives

Bug in objectives: it keeps losing the score. I have restarted both the app and my computer.
Predev MAC

APPAAP's picture
User offline. Last seen 10 hours 5 min ago. Offline
Joined: 04/25/2020
Groups: None
Matrices objectives vs Highest score achieved

I noticed that some of mine solutions in this puzzle with the highest achieved scores does not guarantee best achieved Matrices DDG, SASA and SC. Is this the case? I have read in the blog pages that the new foldit update will try to handle this. As far I understand the docking or binding of the protein to the target may play an important role in SC and DDG but the overall design has to do more with the SASA and therefore higher SASA may related more to the number of protein segments availiable that can cover the binding site. Is this correct or I am loosing something? On the other hand achieving a high score is more or less the design of a good protein core as starting point.

APPAAP's picture
User offline. Last seen 10 hours 5 min ago. Offline
Joined: 04/25/2020
Groups: None
Metrics objectives vs Highest score achieved

Correction. Metrics is then correct not Matrices!

bkoep's picture
User offline. Last seen 11 hours 50 min ago. Offline
Joined: 11/15/2012
Groups: Foldit Staff
Metrics do not contribute to score

You're correct that a high score in this puzzle does not guarantee good DDG, SASA, or SC. Those metrics are separate from your score.

We would like to include these metrics in the Foldit score (so that designs with good DDG, SASA, and SC have higher scores), but they are very slow to compute and that raises some technical challenges we have to resolve. Soon we will release an update so that these metrics can add bonus points to your Foldit score!

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