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2723: Electron Density Reconstruction 156

Closed since 30 days ago

Novice Overall Prediction Electron Density

Summary


Created
January 27, 2026
Expires
Max points
100
Description

The rather funky structure of this protein complex 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. This puzzle comes from PDB entry 2OCY.

Sequence
DSIMKILLIGDSGVGKSCLLVRFVEDKFNPSFITTIGIDFKIKTVDINGKKVKLQLWDTAGQERFRTITTAYYRGAMGIILVYDVTDERTFTNIKQWFKTVNEHANDEAQLLLVGNKSDMETRVVTADQGEALAKELGIPFIESSAKNDDNVNEIFFTLAKLIQEKIDSN SMALSTQLIESVDKQSHLEEQLNKSLKTIASQKAAIENYNQLKEDYNTLKRELSDRDDEVKRLREDIAKENELRTKAEEEADKLNKEVEDLTASLFDEANNMVADARKEKYAIEILNKRLTEQLREKDTLLDTLTLQLKNLKKVMHSLDNESTV

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Comments


LociOiling Lv 1

This puzzle seems to have a pucker due to missing residues. Segment 344 is chain C, residue 63, then segment 345 is chain C, residue 70. Segments 344 and 345 are connected, and start with large negative ideality, around -17,000 points each.

LociOiling Lv 1

There is also a problem at segments 426-428. The PDB number jumps from chain C, residue 163 at segment 426, to chain C, residue 170 at segment 427, but 426 and 427 are connected.

Then 427 is not connected to 428, but the PDB numbering says it should be. Kind of a reverse pucker there.

horowsah Staff Lv 1

Those issues now in theory should be fixed, but will have to reset the puzzle from the undo menu.

Anfinsen_slept_here Lv 1

At the discontinuity between 427-428, it looks like there is density to support adding in some of the residues missing from the published sacchromyces SEC4 sequence. I wonder if there is a way for FOLDIT central to allow us to do that?

LociOiling Lv 1

The puzzle seems OK after restarting Foldit. Resetting IS necessary, any solution started before the puzzle was fixed will cause a crash later. Resetting the puzzle to the starting position does not seem necessary. Resetting IS necessary, any solution started before the puzzle was fixed will cause a crash later.

After restarting Foldit, the previous solution was invalid due to an open cutpoint. The cut had a blue band, with the ends relatively far apart.

In one case, I selected segments on either side and did a manual rebuild until the ends were closer together. Then a quick wiggle allowed closing the cutpoint.

In a second case, rebuilding didn't seem to work. I added a band between the ends, decreased the goal length to about 0.5, and increased the strength to 5. A little wiggling then changed the band to yellow, allowing it to be closed.

ichwilldiesennamen Lv 1

This fix rather made things worse. Indeed the cut can be be closed as above. But when the client is closed then and reopend on that solution, Foldit crashes completely. Anyone else has this problem?

ichwilldiesennamen Lv 1

Even better: such a "closed" solution cannot be uploaded or opened again anywhere else. So the only thing that seems to work is to leave the cut in. What a mess :(

LociOiling Lv 1

Yes, I'm seeing a crash as well.

Renaming or deleting the puzzle directory (for example, c:\Foldit\puzzles\0002014256) may be enough to allow Foldit to restart.

If you close that cutpoint, any solutions based on the initial version of 2723 cause a crash when loaded. These solutions also can't be shared. Sharing a saved solution (for example, "Upload for Myself") also causes a crash.

ichwilldiesennamen Lv 1

Thx Loci for the infos. So I really have to start anew after deleting that puzzle-directory? That doesn't sound like much fun.