1150: 60 Residue Symmetric Dimer Design: Limited HBonds

Closed since over 10 years ago

Summary

• Created: October 19, 2015
• Expires: October 26, 2015 at 23:00 UTC
• Max points: 100

Description

In this puzzle, the bonus for Hbond networks has been increased, but only Hbond networks that are at least 75% satisfied will be rewarded. Furthermore, no more than three inter-molecular Hbonds may contribute to the filter! 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!

Top groups

• 1. Beta Folders 100 pts. 12,341
• 2. Go Science 76 pts. 12,326
• 3. Contenders 56 pts. 12,153
• 4. Anthropic Dreams 41 pts. 12,145
• 5. Gargleblasters 29 pts. 11,970
• 6. L'Alliance Francophone 20 pts. 11,879
• 7. HMT heritage 14 pts. 11,845
• 8. Void Crushers 9 pts. 11,767
• 9. Deleted group pts. 11,559
• 10. Italiani Al Lavoro 4 pts. 11,427

Top soloists

• 1. retiredmichael 100 pts. 12,326
• 2. Bruno Kestemont 99 pts. 12,326
• 3. gloverd 97 pts. 12,211
• 4. MurloW 95 pts. 12,130
• 5. LociOiling 93 pts. 12,129
• 6. johnmitch 91 pts. 12,115
• 7. mimi 89 pts. 12,091
• 8. gmn 88 pts. 12,086
• 9. WarpSpeed 86 pts. 12,067
• 10. Galaxie 84 pts. 12,052

Comments

[bkoep]

Actually, interface H-bonds will ideally be buried at the interface. The problem is that massive, nonpolar interfaces are nonspecific—they will bind to any other decoys with a nonpolar surface.

Ideal interface H-bonds confer specificity because they are extremely difficult to satisfy. Decoy binding partners will not satisfy all the interface H-bonds and will not bind; only the designed target will satisfy these H-bonds when it binds the interface.

If you place your H-bond network on the "outer interface," it can probably be satisfied with surrounding water, regardless of the binding partner. This is not ideal, because other nonpolar decoys can still bind just as well as the target.

[martin.szew]

More clear every time…specially with:

"…Actually, interface H-bonds will ideally be buried at the interface…"
and "…If you place your H-bond network on the "outer interface," it can probably be satisfied with surrounding water, regardless of the binding partner…"

Most of the high scoring pieces do have the H-bonds on the "outer interface", if I have to guess, I said it is because you do have more room to maneuver the polar AAs in order to make the h-bonds…

Will it be possible to assign more filter bonus to "inner interfase" H-bonds like for example serine or threonine? Or even better not considering the H-bond network on the "outer interface".