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682: 40 Residue Symmetric Trimer

Closed since about 13 years ago

Intermediate Overall Design Symmetry

Summary


Created
March 01, 2013
Expires
Max points
100
Description

We are giving you a symmetric trimer of 40 residues to design. Remember, a symmetric protein relies not only on how well folded each part is, but also on how well they interface together - and a symmetric trimer can be thought of as having three 2-fold interfaces.

There are multiple filters enabled on this puzzle that should lead you in the right direction. The ResidueIE filter ensures PHY, TYR, and TRP residues are scoring well. The "Core Exists" filter ensures the number of residues in the core is between 30% and 70%. The "Polar Core" filter that the residues in the core are properly hydrophobic. The "Layer Design" filter looks at the interactions of the residues based on the surface area of the protein. Residues can be either in the core, on the boundary or on the surface of the protein. Depending on the surroundings, the "Layer Design" filter will give you a bonus if your amino acid matches what it was expecting. Press TAB on each residue to find out more about these filters.

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Comments


BootsMcGraw Lv 1

You need to bend the thing so that parts of it are near other parts of it, ultimately having several pieces of the backbone and their sidechains in the center of the structure. A single helix or sheet won't cut it. You'll need at least two structures, preferably three or more.

tamirh Lv 1

That's unfortunately an issue with how Rosetta weights helices. We are attempting to get around this score hole and these filters were supposed to help with that. We will analyse all of the solutions and determine if we need new filters, changes to the weights of the filters, or if we need to make changes elsewhere.

Thanks for all the hard work Boots and everyone else.

brow42 Lv 1

I started this late. I see the same things as Boots. When I played it, I saw:

The very first mutate of the puzzle took at least 30 seconds to change anything (they were all alanine). Subsequent mutates were normal.

It complained about alanine in the core, so I changed those to valine (unfortunately this unpacked my protein and I got core existence penalty). Also it complained about a histadine on an external sheet surface.

Wiggle at CI 1.0 is normal, but < 1.0 it stutters. It's about the same as the last puzzle, post fix.

tamirh Lv 1

There was an issue where you could have invalid high scores uploaded to the server. The fix for this has just been pushed out to devprev.

What we are doing with the puzzle is we will re-score the solutions once the puzzle closes and update any scores that happen to be posted without filters enabled. To prevent your score from changing, try and make sure your highest scoring solution has filters enabled after updating to the new devprev.

We realize this may not be possible in some cases, so if you can't reach your current invalid score with a valid score let us know so we will know which solution of yours to re-score.