Rotation affects score when it shouldn't. When filters are present (Puzzle 691 residue tetramer)
|Opened on:||Saturday, April 6, 2013 - 16:34|
|Last modified:||Friday, April 12, 2013 - 16:01|
Showed on Mac version (up to date as of 6/4/13).
Occurred in Puzzle 691 - 60 Residue Tetramer
Ensuring each protein in the tetramer was separated, I was able to translate the proteins around within the screen without affecting the score. This was expected. See uploaded files:
Screen Shot 2013-04-07 at 2.28.44 AM.png
Screen Shot 2013-04-07 at 2.37.39 AM.png
I then rotated the protein in place, which significantly affected the score. This was unexpected. See:
Screen Shot 2013-04-07 at 2.50.23 AM.png
Subsequent translations of the protein within the plane did not affect the score further. But another rotation then affected the score still further. See
Screen Shot 2013-04-07 at 3.04.42 AM
1. The values for the last three filters: Core Existence, Polar Core and Layer Design were all seen to change. In all cases the residue IE score was met so it is unknown if this filter would have been affected.
2. I was careful to ensure that the protein shape was unchanged on rotation and was not accidentally pulled. To verify this, note that the score in each case is 14076.373 which seems to indicate the filters are the source of the problem.
3. Did not occur in:
Puzzle 693: Hand-Folding De-novo Freestyle 22, for which there are no filters.
Puzzle 694: CASP T0711 Disulfide Repost Round 2 which has filters but no penalties. My protein had no disulfide bonds at the time.
|Screen Shot 2013-04-07 at 2.28.44 AM.png||145.89 KB|
|Screen Shot 2013-04-07 at 2.37.39 AM.png||142.12 KB|
|Screen Shot 2013-04-07 at 2.50.23 AM.png||153.43 KB|
|Screen Shot 2013-04-07 at 3.04.42 AM.png||159.36 KB|