Placeholder image of a protein
Icon representing a puzzle

680: Solo Hand-Folding Sepsis Puzzle

Closed since about 13 years ago

Intermediate Overall Design Hand-Folding

Summary

Created
February 26, 2013
Expires
Max points
100
Description

Sugar molecules such as the one here are coated on the surface of many human pathogens. We are attempting to increase the protein-sugar binding interactions by allowing you to redesign & insert up to 10 residues to form additional hydrogen bonds with the sugar. To encourage this, only GUI scripts are allowed, and sharing has been disabled. After this puzzle expires, the puzzle will be re-posted and LUA scripts and sharing will be allowed. You will be able to load in your solutions from the first puzzle and refine them with scripting and sharing. Please read the new blogpost & puzzle comments for more details.

Top groups

  1. Avatar for Beta Folders 11. Beta Folders 19 pts. 8,978
  2. Avatar for foldeRNA 12. foldeRNA 16 pts. 8,965
  3. Avatar for Gargleblasters 13. Gargleblasters 13 pts. 8,949
  4. Avatar for Russian team 14. Russian team 10 pts. 8,816
  5. Avatar for FoldIt@Netherlands 15. FoldIt@Netherlands 8 pts. 8,748
  6. Avatar for Richard Dawkins Foundation 16. Richard Dawkins Foundation 7 pts. 8,711
  7. Avatar for Natural Abilities 17. Natural Abilities 5 pts. 8,612
  8. Avatar for Minions of TWIS 18. Minions of TWIS 4 pts. 8,522
  9. Avatar for Piratenpartei Deutschland 19. Piratenpartei Deutschland 3 pts. 8,508
  10. Avatar for Eὕρηκα! Heureka! 20. Eὕρηκα! Heureka! 2 pts. 8,505
  1. Avatar for epurvin 281. epurvin Lv 1 1 pt. 8,451
  2. Avatar for LRWerewolf 282. LRWerewolf Lv 1 1 pt. 8,451
  3. Avatar for westrel3 283. westrel3 Lv 1 1 pt. 8,450
  4. Avatar for SimplySue 284. SimplySue Lv 1 1 pt. 8,450
  5. Avatar for alphajam 285. alphajam Lv 1 1 pt. 8,448
  6. Avatar for eag111 286. eag111 Lv 1 1 pt. 8,447
  7. Avatar for DrMistry 287. DrMistry Lv 1 1 pt. 8,446
  8. Avatar for barbaranne 288. barbaranne Lv 1 1 pt. 8,445
  9. Avatar for Flowen 289. Flowen Lv 1 1 pt. 8,443
  10. Avatar for schaun 290. schaun Lv 1 1 pt. 8,441

Comments

tamirh Lv 1

I pulled out the ligand to find out if the ligand would cause the IE to change. It does, but only negatively. With the ligand completely removed, the IE is basically the same as when it is there.

I then replaced the ligand with some ALA to test out if it was a difference between ligands and normal aa. The buried TYR still scored poorly. So it looks like it's just a function of the interaction energy and positioning itself, not an issue with it being a ligand.