Odd scoring Immunodesign puzzle

Case number:699969-992544
Topic:General
Opened by:mottiger
Status:Open
Type:Bug
Opened on:Tuesday, May 1, 2012 - 10:47
Last modified:Friday, May 4, 2012 - 16:42

Over night GAB BiS mutate http://fold.it/portal/recipe/41034 made a really strange high scoring solution

http://fold.it/portal/files/chatimg/irc_261726_1335868499.png

I don't know if that can be prevented somehow but I just want to let you know. I have seen such pictures already but not sure in a feedback or just in chat.

(Tue, 05/01/2012 - 10:47  |  7 comments)


brow42's picture
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I think this is what EvdH calls 'an interesting and exciting solution.'

infjamc's picture
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Too many tryptophans... let's hope that this is not another score function artifact.

brow42's picture
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It's like each quarter turn of the helix gets another Trp to T-interact with the one before it.

beta_helix's picture
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assigning...

EvdH's picture
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Well as brow42 states it is definitely interesting, however a little lit less exciting. It's not really a bug in Foldit/Rosetta, but more a structure which is not correctly covered in the scoring function.
The reason this structure scores so well is because of the pi-pi stacking over the aromatic residues (and there are a lot of aromatic residues in this solution: WWYWWIWY). You can see the nicely parallel displaced aromatic residues in the attached figure. However the structure mottiger created will not be stable at all, since the backbone is not sufficiently stabilized so this solution is likely to collapse/aggregate.
In conclusion mottiger created a very nice example of pi-stacking :)
If you want to read more about pi-stacking; take a look at this freely available article: http://www.jbc.org/content/273/25/15458.short

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high scoring useless rubish, yay :)

EvdH's picture
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If you would put the three residues on a sheet (which will provide the backbone stability) and making these nice interactions it's not rubbish at all. So it is still an inspiring solution :)

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