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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.

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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.