puzzle picture
1732: IL-7R Binder Redesign: Round 14
Status: Closed

Groups

RankGroupScorePoints
1Anthropic Dreams11,278100
2Beta Folders11,27073
3Contenders11,20452
4Go Science11,14436
5L'Alliance Francophone11,13424
6Gargleblasters11,10116
7Marvin's bunch10,97910
8Void Crushers10,9396
9Russian team10,8364
10Hun-Magyar Csapat10,6352
11Team Schleswig-Holstein10,3761
12Italiani Al Lavoro10,2771
13Trinity Biology10,2091
14BOINC@Poland9,9721
15Hold My Beer9,8831
16Dutch Power Cows7,8841
17Felisenum - klas 601


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Comments

bkoep's picture
User offline. Last seen 13 hours 46 min ago. Offline
Joined: 11/15/2012
Groups: None
Objectives

Residue IE Score (max +500)
Monitors that all PHE, TYR, and TRP residues are scoring well.

Core Existence (max +1000)
Ensures that at least 25% of residues are buried in the protein core.

SS Design (max +300)
Penalizes all CYS residues. Penalizes GLY, ALA, SER, THR in helices. Penalizes GLY, ALA in sheets.

Residue Count (max +100)
Penalizes extra residues inserted beyond 110, at a cost of 20 points per residue. Players may use up to 115 residues in total.

alcor29's picture
User offline. Last seen 13 hours 44 min ago. Offline
Joined: 11/16/2012
modification request

How about making the connecting loops (68,93) either longer or just flexible. It would prevent the tendency of the folds to be pulled backward into an orthogonal relationship with the frozen helices.

bkoep's picture
User offline. Last seen 13 hours 46 min ago. Offline
Joined: 11/15/2012
Groups: None
Clarification?

I'm not sure I know what you mean—can you elaborate a bit more? Do you have a solution or screenshot to help illustrate a fold that is "pulled backward into an orthogonal relationship"?

The current setup is intended to give Foldit players the most freedom. The frozen helices (including segments 68 and 93) are the minimum portion required for binding, and the two cutpoints should allow players to do whatever they want with the remaining designable portion.

We could insert a non-frozen region at the connection (e.g. between segment 68 and the cutpoint). But players would be limited in the ways they could manipulate this region, since it would be tethered to the frozen region; and in theory you should be able to reach the same solutions with the current setup (where the frozen portion ends immediately in a cutpoint).

If you're feeling constrained by the current setup, it could be that there's a bug or that some tools are not behaving properly with the cutpoints?

alcor29's picture
User offline. Last seen 13 hours 44 min ago. Offline
Joined: 11/16/2012
reply

I'll try. It seems to me that the 2 cut-points mentioned are not allowing us to do what we want, easily. No matter what AAs we chose for the adjacent residues our fold, when I wiggle at a CI greater than say 0.10, rotates away from the frozen helices toward a 90 degree angle and even beyond. This happens even though the fold is banded to the frozen helices, and is also not merely repulsion between segments because this continues as mentioned way too far to 90 or plus degrees. The usual solution I find is to add one or two loop segments to my mutated fold in order to be freer from the aforementioned cuts. This means that I now have too long a loop and this is not a desirable outcome. Hope this makes it clearer. (Note: the good folders may not have this issue, so it just be my ignorance).

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, RosettaCommons