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1725: Symmetric Trimer Design: 80 Residues

Closed since over 6 years ago

Intermediate Overall Design Symmetry

Summary

Created
September 04, 2019
Expires
Max points
100
Description

This symmetric design puzzle has C3 symmetry, with three symmetric chains. This puzzle is a little different from other symmetry puzzles, in that we want players to focus on building a smaller interface between the chains. The "Core Limit: Complex" objective will incur penalties if there are too many buried residues in the total assembly. See the puzzle comments for Objective details. The Baker Lab will run folding predictions on your solutions for this puzzle, and those that perform well will be synthesized in the lab. Remember, you can use the Upload for Scientists button for up to 5 designs that you want us to look at, even if they are not the best-scoring solutions!

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Comments

bkoep Staff Lv 1

Core Existence: Monomer (max +2400)
Ensures that at least 24 residues are buried in the core of the monomer unit.

Core Limit: Complex (max +500)
Checks that no more than 87 residues are buried in the symmetric complex, including the interface between monomer units.

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

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.

Bautho Lv 1

Just for understanding:

Does this mean that the Core Limit filter is the highest if the monomers do not touch at all?
Or is there still the Core Existence filter included?
If not I assume players will rather design three monomers floating around instead of proper trimers :D

Thanks

bkoep Staff Lv 1

That's right, the only requirement of the Core Limit: Complex objective is that fewer than 87 residues are buried in the core. As far as the objective is concerned, it is perfectly okay to have three floating monomers that are too far apart to interact.

However, we expect that players will be able to get more points by bringing those monomers close into contact with one another, in a well-packed trimer.

Bautho Lv 1

That's really interesting!
Esp. when checking how much less the designed trimer scores when its actually a monomer (with redesigned sidechains).

Thanks :)