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Sandbox Puzzle 1892 with Binder Metrics

Closed since over 5 years ago

Intermediate

Summary


Created
September 17, 2020
Expires
Max points
100
Description

This is a non-competitive version of Puzzle 1892, with binder metric Objectives so that players can check the DDG, SASA, and shape complementarity of their Puzzle 1889 solutions. The binder metric Objectives do not award any bonus or penalties. Players may share solutions freely between this puzzle and the original Puzzle 1892.

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Comments


bkoep Staff Lv 1

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 +20)
Penalizes 60 points for each polar atom that cannot make any hydrogen bonds. Note that the frozen target includes 8 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.

Bruno Kestemont Lv 1

I've the impression that the puzzle isn't slower on this version with Binder Metrics (since the bonding metrics are disabled by default) than on the competing 1892.

I didn't verify formally.

If this is the case, it would be more simple to post only one puzzle with (default disabled) bonding metrics.