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Table 2 Comparison of rotamer libraries for rotamer ranking

From: A protein-dependent side-chain rotamer library

Average rank of correct rotamer
Dihedral angle Rank of P10 Rank of D10
χ 1 1.6301 1.738
χ 1+2 2.6663 2.9517
Average probability of finding correct rotamers at top 1 position
Dihedral angle Probability of P10 Probability of D10
χ 1 0.8018 0.6470
χ 1+2 0.6111 0.4127
Average probability of finding correct rotamer at top 2 positions
Dihedral angle Probability of P10 Probability of D10
χ 1 0.8984 0.8899
χ 1+2 0.7248 0.7053
Average probability of finding correct rotamer at top 3 positions
Dihedral angle Probability of P10 Probability of D10
χ 1 0.9313 0.9265
χ 1+2 0.7655 0.7479
  1. The top part of the table shows the comparison of the average rank of the first correct rotamers between our protein-dependent rotamer library with Dunbrack’s 2010 library as input (P10) and Dunbrack’s backbone-dependent library proposed in 2010 (D10). The other part of the table shows the comparison of the average probability of finding correct rotamers in the top 1, 2 and 3 rotamers of P10 and D10, respectively.