Let us mutate just a few sidechains on denovos like 1319
|Opened on:||Tuesday, December 20, 2016 - 17:03|
|Last modified:||Tuesday, December 20, 2016 - 18:04|
Lately we have been getting denovo puzzles that are from foldit designs, which means they may contain quirks that foldit put in. On 1319, I have a hidden blue sidechain (threonine) with nothing to bond to, and I commented to my teammate tokens that foldit should not have put a threonine inside like that, so I must not have folded it right. He pointed out that foldit commonly puts threonine on the inside when you wiggle at low CI and mutate at high CI. My solution would be much more likely to fold up in real life if I could just change that threonine to valine, and the same might possibly be true of the original design.
I'd like to suggest that you give us the ability to mutate denovo puzzles that come from foldit designs, but add a filter that penalizes us if we mutate more than some small number (say 5 or 6) of sidechains. Then we are still working on the designed protein (not designing a new one), but we have the opportunity to improve its sequence just a little, maybe even removing the quirk that keeps Rosetta from being able to predict the designed fold.
If you don't want us to choose where to use our few mutates, a foldit scientist could eyeball the original design and decide if there are any sidechains that look out of place and just make those sidechains mutable in the denovo.