1378: Hemagglutinin Binder Design: Loop Graft

Closed since almost 9 years ago

Summary

• Created: May 15, 2017
• Expires: May 22, 2017 at 23:00 UTC
• Max points: 100

Description

Note: This puzzle was closed early due to an error in the baseline score. The puzzle has been reposted as Puzzle 1378.



Design a protein that contains the provided hemagglutinin-binding loop! Hemagglutinin is a protein from the influenza virus. It is displayed on the surface of the virus capsid, and allows the virus to recognize and infiltrate human cells. One particular region of the hemagglutinin protein undergoes a dramatic shift during infection; it's thought that stabilizing this region (e.g. with a protein binder) can prevent the normal function of hemagglutinin and stop infection. In fact, during an influenza infection, the immune system can sometimes raise antibody proteins that bind this portion of hemagglutinin to defend against further infection. In this puzzle, we've provided a portion of the hemagglutinin protein, as well as a hemagglutinin-binding loop that is derived from one such antibody protein. We're asking Foldit players to design a new protein that incorporates this same loop!



The backbone and certain residues of the loop are fixed, and the loop is held in place with strong constraints. The starting structure of the design has 53 residues, but players may add residues up to a total of 63. Players may also delete and redistribute residues on either side of the prescribed binding loop. See the puzzle comments for filter details.

Top groups

• 1. Go Science 100 pts. 0
• 2. Void Crushers 56 pts. 0
• 3. Contenders 29 pts. 0
• 4. Gargleblasters 14 pts. 0
• 5. L'Alliance Francophone 6 pts. 0
• 6. Beta Folders 2 pts. 0
• 7. Anthropic Dreams 1 pt. 0
• 8. xkcd 1 pt. 0
• 9. HMT heritage 1 pt. 0
• 10. freefolder 1 pt. 0

Top soloists

• 1. ZeroLeak7 100 pts. 0
• 2. eusair 93 pts. 0
• 3. weitzen 86 pts. 0
• 4. firejuggler 80 pts. 0
• 5. dcrwheeler 74 pts. 0
• 6. Bletchley Park 68 pts. 0
• 7. Anfinsen_slept_here 63 pts. 0
• 8. Blipperman 58 pts. 0
• 9. benrh 53 pts. 0
• 10. christioanchauvin 49 pts. 0

Comments

[gitwut]

All Scores for this puzzle/page are zero. Client group/solo scoreboard as well.

[SaraL]

I'm not sure if this puzzle is operating correctly - I transformed the locked portion of the helices to loops and attempted to wiggle to see how they would behave.

They disconnected from the main protein and began wiggling randomly in the space occupied by the locked protein - All scores remained at 0 however.

[Bruno Kestemont]

It's a blind competition met all players bellow zero (and thus zero in the scoreboard).

I succeeded to get the 160 bonus, but still -28000 pts.

[Bruno Kestemont]

It sounds like the given portion of the hemagglutinin is unideal.

Segments with worst score parts of hemagglutinin:

segment 177 ideality: -480342.072
segment 178 ideality: -480320.597
segment 111 ideality: -92218.795
segment 110 ideality: -92206.196

[SaraL]

Would the solution then be to get the worst possible outcome? Wiggle to 0.01 clash importance?

[SaraL]

Update: I think I broke the puzzle.

https://gyazo.com/b1cb00b534acda0a0f2cb6d852d0a37a

[Bruno Kestemont]

Seg 178 (glycine) is ablormaly long, about 20 A. I understand now why it's unideal !

[Bruno Kestemont]

amazing

[Bruno Kestemont]

I recommend you to change to advanced GUI (Menu _ general Options ). You'll see your negative score.

[Bruno Kestemont]

it's near to our protein. View all sidechains or shake or view bonds to helices, sidechains, helices or loops