See Dr. Bakers post here Link
:beer: for everyone!
Tonight I will discuss the results that Divya has posted in the "Top Results" section.
The first protein is 2reb, which is the shorthand code for RecA, one of the most important proteins
in DNA repair and recombination in all of life.
The energy versus RMSD plot on the left shows that Rosetta has strongly converged on the correct structure--all of the very low energy structures are less than 1.5-2 RMSD from the native structure which is close to experimental error. In cases like this, where all the lowest energy structures are
very similar to each other, we can be quite sure that Rosetta has found the correct solution. Congratulations to Dalephi and Team TeAm AnandTech for finding the lowest energy structure!
The top two pictures on the right show a comparison of the experimentally determined structure (top)
with the Rosetta predicted sturcutre (bottom). as you can see, they are very similar. The third picture (below) is one that you haven't seen before. Here the two structures are shown superimposed with each other, with the protein sidechains in the core of the protein shown as well. you can see that the sidechains are in very similar positions in the prediction and the actual structure.
The panel below shows the energy vs rmsd plot again and on the right is a comparison of the lowest rmsd structure to the actual structure. They are again very similar. Congratulations to Jacekko and Team Rosetta@Poland for finding this structure!
The following panels show results for the protein 1dcj. 1dcj is important for cell division in bacteria, and could be a target for developing antibacterial drugs. As in the case of 2reb, the lowest energy points are all close to the correct structure, and similar to each other. Rosetta has again converged on the correct answer. The RMSD is a bit higher, but this probably due to wiggles in the red tail in the pictures at the right which probably does not have a well defined structure in solution. The pictures show that aside from this segment the lowest energy structure is very similar to the experimentally determined structure. The superposition in the panel below shows that the amino acid sidechains are in very similar positions in the lowest energy structure and the experimentally determined structure. Congratulations to Team_Gaol~Christian and the Dutch Power Cow for finding this structure (I hope the DPC stampede in the right direction) !
The last set of panels compare the lowest rmsd structure and the experimentally determined structure, which are again very similar. Congratulations to LocalBusinessMen (Team XtremeSystems) for finding this structure!
In these plots on the left for clarity we are only showing the lowest energy 5000 of the roughly 300,000 structures all of you computed for these proteins. If we could collectively do as well on all proteins, the protien folding problem would be solved!
:beer: for everyone!
