Table 1.
Protein | PDBa | 0 Hzb | 1 Hzb,c | 3 Hzb,c | Time(s)d | #Sol.e |
---|---|---|---|---|---|---|
B1 domain of protein G32 | 3gb1 | 0.07 [0.07] | 0.26 [0.97] | 0.67 [3.11] | 1.46 | 2 |
B3 domain of protein G33 | 2oed | 0.09 [0.05] | 0.42 [1.02] | 1.31 [2.78] | 1.55 | 2 |
Cyanovirin-N34 | 2ezm | 0.03 [0.02] | 0.31 [1.01] | 0.70 [2.90] | 2.81 | 3 |
Gα interacting protein35 | 1cmz | 0.03 [0.02] | 0.35 [1.00] | 1.02 [2.94] | 2.23 | 2 |
Ubiquitin36 | 1d3z | 0.02 [0.02] | 0.27 [0.97] | 0.66 [2.83] | 1.64 | 2 |
Hen lysozyme37 | 1e8l | 0.05 [0.04] | 0.15 [1.00] | 0.49 [2.88] | 1.75 | 2 |
Oxidized putidaredoxin38 | 1yjj | 0.06 [0.05] | 0.19 [1.00] | 0.71 [2.86] | 1.85 | 2 |
Mean | 0.05 [0.04] | 0.28 [1.00] | 0.79 [2.90] | 1.90 | 2.14 |
The RCSB Protein Data Bank code for protein coordinates. First model from the ensemble of NMR structures was used for all calculations.
Δc (in Å), the best distance between the original and the predicted centers of the second domain. The values in brackets represent the RMSD (in Hz) between the synthetic RDCs and the predicted RDCs at the solution. The column labels represent the size of the standard deviation of the normally distributed noise added to synthetic RDCs. “0 Hz” corresponds to no noise added to synthetic RDCs.
The values represent an average of twelve independent runs.
The average elapsed time (in seconds) for PATIDOCK-t based on all the runs for “0 Hz”, “1 Hz”, and “3 Hz”.
The number of possible solutions, all of which have a very similar predicted alignment tensor.