Yes, you are absolutely right! This is a problem with the score function of the HBond Network Objective that needs to be fixed.
BUNS (buried unsatisfied polar atoms) are only problematic when they are buried. If a H-bond network extends to the protein surface, then the exposed atoms can be satisfied by making H-bonds with water. These exposed polar atoms should not jeopardize protein folding, and they should not incur a penalty.
Thanks bkoep for outlining this point so well. This is exactly what I wanted to express. And many thanks for taking care that this gets implemented. I am really very much looking forward to this. But I guess it will be quite tricky to implement. I wish good luck to the whole team!
I uploaded to the scientists solution "82314 - 2102…" that shows a nitrogen from a network-bound histidine clearly sticking out into solution.
Penalized over 250 points for that. :-(
Looking forward to the Objective fix.
I've got another false BUNS on puzzle 2130 that is costing me over 250 points. See attached photo.
(Looks like we can't attach photos. Go here to view: https://ibb.co/qkHT7GX .)
Thanks for the feedback! Can you share this solution with scientists?
Solution "82314-2130" uploaded to scientists. The sidechain in question is GLU 18. One of the oxygens is clearly exposed to solution, yet is counted as BUNS.