Note: This puzzle was closed early due to a large number of crash reports.
The structure of this protein has already been solved and published, but close inspection suggests that there are some problems with the published solution. We'd like to see if Foldit players can use the same electron density data to reconstruct a better model! For this particular target, we have some key experimental data that may provide hints about the structure: This protein contains three cysteines, two of which oxidize to form a disulfide bond. This structure also contains a copper ion, which has been already been placed in the density for you. Three residues are known to interact with this copper ion: HIS 46, CYS 112, and HIS 117. Secondary structure predictions (from PSIPRED) are marked on the starting structure, and provide clues about where the protein might form helices and sheets!
I guess the virtual atoms do have a position in space.
Try this code for on the starting pose for puzzle 1315:
local ac129 = structure.GetAtomCount ( 129 )
print ( "segment 129 atom count = " .. ac129 )
for ii = 1, ac129 do
band.AddBetweenSegments ( 7, 129, 5, ii )
end
Unfortunately, I can't seem to post an image at the moment. The band to atom 1 of segment 129 goes to the ball representing the copper atom. The remaining bands go to points in space near the copper atom. Unlike normal spacebands, they are "headless".
I'm really glad you've tried to include the metal atom; I really can't see how we can fold accurately if they are missing. It's too bad that it's crashing Rosetta and showing other anomalies. I hope they can be worked out.
