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1378: Hemagglutinin Binder Design: Loop Graft

Closed since almost 9 years ago

Intermediate

Summary

Created
May 15, 2017
Expires
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.

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Comments

gitwut Lv 1

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

SaraL Lv 1

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 Lv 1

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 Lv 1

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 Lv 1

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

Bruno Kestemont Lv 1

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