Table 2

Comparison of rotamer libraries for rotamer ranking

Average rank of correct rotamer


Dihedral angle

Rank of P10

Rank of D10


χ1

1.6301

1.738

χ1+2

2.6663

2.9517


Average probability of finding correct rotamers at top 1 position


Dihedral angle

Probability of P10

Probability of D10


χ1

0.8018

0.6470

χ1+2

0.6111

0.4127


Average probability of finding correct rotamer at top 2 positions


Dihedral angle

Probability of P10

Probability of D10


χ1

0.8984

0.8899

χ1+2

0.7248

0.7053


Average probability of finding correct rotamer at top 3 positions


Dihedral angle

Probability of P10

Probability of D10


χ1

0.9313

0.9265

χ1+2

0.7655

0.7479


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.

Bhuyan and Gao BMC Bioinformatics 2011 12(Suppl 14):S10   doi:10.1186/1471-2105-12-S14-S10

Open Data