trRosetta is an algorithm for fast and accurate protein structure prediction. It builds the protein structure based on direct energy minimizations with a restrained Rosetta. The restraints include inter-residue distance and orientation distributions, predicted by a deep residual neural network. Homologous templates are included in the network prediction to improve the accuracy for easy targets. In benchmark tests on CASP13 and CAMEO derived sets, trRosetta outperforms all previously described methods. Read more about trRosetta...
The top PDB templates (when detected) and the multiple sequence alignment used trRosetta
12/06/2020, trRosetta-based methods (BAKER, BAKER-ROSETTASERVER, Yang-Server) were assessed in the 14th CASP experiment. The BAKER group was ranked as
the second Human group after AlphaFold2; while the BAKER-ROSETTASERVER was ranked as the fourth Server group. The Yang-Server from our lab was ranked among the top 10 Server groups. The major difference between BAKER-ROSETTASERVER and Yang-Server is the former applied an additional step of large-scale refinement on the trRosetta models.
11/23/2020, An automated template detection module was included in the server to improve the modeling accuracy for easy targets.
11/23/2020, A new deep neural network was used, which is about 3% more accurate than the previous version.
09/25/2020, A script 'pdb2npz.py' included to calculate and visualize the interresidue distance and orientation from the input of a PDB structure.
08/27/2020, A script 'top_prob.py' the average probablity of the top L predicted long+medium range contacts.
07/22/2020, As requested by many users, a new script (npz_2_dist.py) was included in the trRosetta package to convert the distance distribution into distance and contact maps.
06/08/2020, Automated MSA selection was included in the server to improve the accuracy by 2-5%.
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J Yang, I Anishchenko, H Park, Z Peng, S Ovchinnikov, D Baker, Improved protein structure prediction using predicted interresidue orientations, PNAS, 117: 1496-1503 (2020).