|Opened on:||Monday, October 19, 2015 - 21:09|
|Last modified:||Thursday, January 14, 2021 - 22:35|
Some questions about how hydrogen bond networks are scored, especially in puzzle 1147b.
1. Does only one instance of a symmetric network score?
2. What does "over limit" mean?
3. How is the "polars satisfied" percentage calculated?
These questions come from looking at Beta Folders' best solution for 1147b, shown in "1147b symmetrical networks" (1147b.networks.png). Based on a retiredmichael solo, tt's very symmetrical, with the same network occurring twice.
As the combined image shows, the network on the right has 78.9474% of polars satisfied, and 9 interface h-bonds, with zero "over limit". It scores 710.
The network on the left has the same percent satisfied, but shows zero interface h-bonds, and says there are 7 "over limit". It scores nothing.
Both networks are exactly the same as far as I can tell. All the distances that can be measured between the bonded atoms are the same in both networks. Hence question 1, why does only one instance of the network have a score?
The second question follows directly from the first. Both instances of the network are the same, but one is zero over limit and the other is seven over limit. What does "over limit" mean here, and how is it calculated?
The third question is about the "polars satisfied" percentage. The "1147b network detail" (1147b.detail.png)shows a close-up of the network that scored. Except for segment 9, atom 8, all the bondable atoms have at least one bond.
The wikia page http://foldit.wikia.com/wiki/Hydrogen_Bond_Networks has some helpful suggestions about donors and acceptors, but in this example, I'm not finding a numerator and a denominator that get me to 78.9474%.
So, third question, is it possible to have a short summary of how "polars satisfied" is calculated?
Some follow-ons to the third question:
Is scoring done atom-by-atom, or does it look only at the number of bonds per residue?
Can the potential score for each residue be listed in a simple static table, or is it dependent on what the residue is bonded to?
Can the segment info be updated include the bonding percentage? (Oops, stealth enhancement request.)
Any light that could be shed on these perplexing questions would be greatly appreciated.
|1147b symmetrical networks||660.25 KB|
|1147b network detail||677.45 KB|