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. Author manuscript; available in PMC: 2021 Mar 8.
Published in final edited form as: J Chem Inf Model. 2019 Dec 31;60(1):410–420. doi: 10.1021/acs.jcim.9b00812

Table 5.

Dihedral Angle Recovery Rates and Overall RMSDs for Side-Chain Prediction on 136 Structures by Adding Native Conformers to Rotamer Libraries L1–L6a

χ1–4 recovery rate (%)
overall side-chain RMSD (Å)
library all core surface all core surface
L1 72.6 ± 0.2 91.0 ± 0.2 55.5 ± 0.3 1.39 ± 0.00 0.62 ± 0.02 1.92 ± 0.01
L2 74.7 ± 0.2 93.0 ± 0.2 57.4 ± 0.2 1.30 ± 0.01 0.48 ± 0.03 1.83 ± 0.02
L3 77.0 ± 0.1 93.9 ± 0.2 60.7 ± 0.1 1.22 ± 0.01 0.43 ± 0.01 1.72 ± 0.02
L4 45.7 ± 0.4 72.3 ± 0.4 24.5 ± 0.4 1.72 ± 0.01 0.78 ± 0.02 2.31 ± 0.01
L5 43.2 ± 0.2 68.5 ± 0.3 23.1 ± 0.2 1.73 ± 0.01 0.83 ± 0.02 2.33 ± 0.01
L6 41.2 ± 0.3 61.1 ± 0.3 21.8 ± 0.5 1.76 ± 0.01 0.86 ± 0.01 2.35 ± 0.01
a

The best performance in each column is shown in bold. Each program was run five times using any of the six rotamer libraries, and the average and standard deviation are reported.