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 Freedom Folders 21. Freedom Folders 2 pts. 8,504
  2. Avatar for Nerdfighters 22. Nerdfighters 2 pts. 8,498
  3. Avatar for BOINC@Poland 23. BOINC@Poland 1 pt. 8,493
  4. Avatar for DSN @ Home 24. DSN @ Home 1 pt. 8,490
  5. Avatar for DNA Masters 25. DNA Masters 1 pt. 8,481
  6. Avatar for Deleted group 26. Deleted group pts. 8,478
  7. Avatar for Deleted group 27. Deleted group pts. 8,461
  8. Avatar for Oma Gawd 28. Oma Gawd 1 pt. 8,460
  9. Avatar for Skeptics Guide to the Universe 29. Skeptics Guide to the Universe 1 pt. 8,457
  10. Avatar for Team China 30. Team China 1 pt. 8,455
  1. Avatar for Grom 71. Grom Lv 1 35 pts. 8,816
  2. Avatar for Museka 72. Museka Lv 1 34 pts. 8,816
  3. Avatar for alwen 73. alwen Lv 1 34 pts. 8,814
  4. Avatar for meatexplosion 74. meatexplosion Lv 1 33 pts. 8,813
  5. Avatar for mimi 75. mimi Lv 1 33 pts. 8,811
  6. Avatar for pgiles 76. pgiles Lv 1 32 pts. 8,810
  7. Avatar for Madde 77. Madde Lv 1 32 pts. 8,802
  8. Avatar for nemo7731 78. nemo7731 Lv 1 31 pts. 8,801
  9. Avatar for goastano 79. goastano Lv 1 31 pts. 8,800
  10. Avatar for KingLear 80. KingLear Lv 1 30 pts. 8,789

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.