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 Anthropic Dreams
    1. Anthropic Dreams
    100 pts. 9,947
  2. Avatar for Go Science 2. Go Science 87 pts. 9,900
  3. Avatar for Deleted group 3. Deleted group pts. 9,550
  4. Avatar for Contenders 4. Contenders 64 pts. 9,431
  5. Avatar for Team Schleswig-Holstein 5. Team Schleswig-Holstein 55 pts. 9,398
  6. Avatar for Brony@Home 6. Brony@Home 47 pts. 9,187
  7. Avatar for Void Crushers 7. Void Crushers 40 pts. 9,185
  8. Avatar for HMT heritage 8. HMT heritage 33 pts. 9,176
  9. Avatar for SETI.Germany 9. SETI.Germany 28 pts. 9,175
  10. Avatar for L'Alliance Francophone 10. L'Alliance Francophone 23 pts. 8,979
  1. Avatar for glaciall 91. glaciall Lv 1 25 pts. 8,745
  2. Avatar for vakobo 92. vakobo Lv 1 24 pts. 8,734
  3. Avatar for Alistair69 93. Alistair69 Lv 1 24 pts. 8,729
  4. Avatar for rsosborne 94. rsosborne Lv 1 23 pts. 8,711
  5. Avatar for TheGUmmer 95. TheGUmmer Lv 1 23 pts. 8,711
  6. Avatar for IHGreenman 96. IHGreenman Lv 1 23 pts. 8,694
  7. Avatar for narono 97. narono Lv 1 22 pts. 8,688
  8. Avatar for thekaiser 98. thekaiser Lv 1 22 pts. 8,685
  9. Avatar for dflear 99. dflear Lv 1 21 pts. 8,683
  10. Avatar for Merf 100. Merf Lv 1 21 pts. 8,683

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.