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1134: 60 Residue Symmetric Dimer Design: Satisfied H-bonds

Closed since over 10 years ago

Intermediate Overall Design Symmetry

Summary

Created
September 02, 2015
Expires
Max points
100
Description

In this puzzle, the bonus for Hbond networks has been doubled, but only Hbond networks that are at least 75% satisfied will be rewarded. We've also amended this puzzle so that the Core Exists filters should be even easier to satisfy. There are several other filters in effect; see the puzzle comments for 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

Residue IE Score: Monitors that all PHE, TYR, and TRP residues are scoring well.

HBond Network: Rewards networks comprising at least three hydrogen bonds, with at least one hydrogen bond spanning the dimer interface. In addition, at least 75% of all polar atoms in the network must make hydrogen bonds.

Core Existence: Monomer: Ensures that at least 18 residues are buried in the core of the monomer unit.

Core Existence: Complex: Ensures that at least 46 residues are buried in the core of the entire complex (including the interface between monomer units).

Fragment Score: Scans for parts of your design that are unlikely to fold up naturally. Use Rebuild and Remix tools to fix these regions of your design!

Bautho Lv 1

In one design, I count 18 orange residues when showing the residues for one monomer (giving correctly +160 bonus).
There is no interaction between the two chains, but when I click to show the buried residues in the complex, I count 22 orange residues (44 in total, resulting in -100, which is right when 46 are required). I observed that green residues for the monomer core exist filter turn into orange when switching to the complex core exist filter.

I think that the residues should be considered equally for both filters, right?

bkoep Staff Lv 1

Very observant, Batz! The criteria for "buriedness" has been relaxed, but only for the complex filter.

We wanted to relax the Core Exists: Complex filter because it seemed to interfere with H-bond networks. But, since we only want H-bond networks at the interface, the core requirements for the monomer are unchanged.