Table 1. Loop-prediction performance of RCD+ and other state-of-the-art methods.
Nativea | Modeling | |||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
HLPb | Galaxy | RCD+ | HLP | Galaxy | Rosetta | RCD+ | ||||||
Lengthc | Std. | PS2 | 1d | 5 | 20 | SS | PS2 | NGK | 1 | 5 | 20 | |
Median | 0.6 | 0.6 | 0.5 | 0.3 | 0.3 | 0.9 | 1.1 | 0.4 | 0.5 | 0.4 | 0.4 | |
8 | Average | 1.2 | 0.9 | 0.6 | 0.5 | 0.4 | 1.3 | 1.3 | 0.5 | 0.8 | 0.7 | 0.6 |
Sigma | 1.5 | 0.7 | 0.3 | 0.3 | 0.2 | 1.5 | 1.0 | 0.3 | 1.0 | 1.0 | 0.8 | |
#e | 13 | 14 | 17 | 18 | 19 | 11 | 9 | 17 | 15 | 18 | 18 | |
Median | 0.6 | 1.4 | 0.6 | 0.4 | 0.4 | 0.9 | 1.6 | 0.8 | 0.6 | 0.6 | 0.5 | |
12 | Average | 1.2 | 1.6 | 1.0 | 0.9 | 0.7 | 1.4 | 2.1 | 1.7 | 1.4 | 0.8 | 0.8 |
Sigma | 1.2 | 1.3 | 1.7 | 1.0 | 1.0 | 1.4 | 1.7 | 1.8 | 1.6 | 0.9 | 0.9 | |
#e | 12 | 7 | 16 | 16 | 17 | 11 | 4 | 11 | 13 | 17 | 17 |
aSampling scenarios: (i) Native, the side-chains of the loop environment are kept, or (ii) Modeling, include the refinement of the loop environment side-chains.
bHLP, HLP-SS, Galaxy-PS2 and Rosetta-NGK Root Mean Squared Deviations (RMSDs) were taken from Supplementary Tables S1, S2, S4 and S5 of (8) and calculated considering the main-chain atoms N, Cα, C and O.
cNumber of residues of the loop.
dRMSD of the lowest Rosetta-energy loop predicted with RCD+ together with the best RMSD of the 5 and 20 loops of lowest Rosetta-energies.
eNumber of sub-angstrom cases.