The Backbone-Dependent Rotamer Library
You can download the following gzipped files:
bbdep02.May.lib.gz - Backbone-dependent rotamer library
bbdep02.May.sortlib.gz - Backbone-dependent rotamer library sorted by probability
bbind02.May.lib.gz - Backbone-independent rotamer library
bbind02.May.condlib.gz - Conditional backbone-independent rotamer library
bbdep02.May.cmpdlist.gz - List of chains in PDB used to build library
bbdep02.May.dihedrals.gz - Raw data on side-chains used to make library
Information on the data used to compile the library and file formats is available here.
When using this rotamer library, please cite the paper by Dunbrack and Cohen below.
Other Rotamer Libraries on the Web
Backbone-independent library of Ponder and Richards (Yale University). Note: this is
very out of date (1987). For comparison purposes only.
Backbone-independent
rotamer library of DeMaeyer et al..
Note: this library has been transcribed from the
supplementary material from this paper.
Backbone-independent
library of Tuffery et al.(INSERM, France)
Backbone-independent
library of Lovell et al. (Duke University)
Backbone-independent
coordinate and dihedral angle rotamer libraries of Xiang and Honig (Columbia University)
References
Dunbrack Rotamer Libraries:
R. L. Dunbrack, Jr. Rotamer libraries in the 21st century. Curr. Opin. Struct. Biol.
12, 431-440 (2002).
R. L. Dunbrack, Jr. and F. E. Cohen. "Bayesian statistical analysis of
protein sidechain rotamer preferences ." Protein Science 6,
1661-1681 (1997).
R. L. Dunbrack, Jr. and M. Karplus. Backbone-dependent Rotamer Library
for Proteins: Application to Side-chain prediction. J. Mol. Biol.
230, 543-574 (1993).
R. L. Dunbrack, Jr. Conformational analysis of protein sidechains: Empirical
energy parameters for proline and development of a backbone-dependent rotamer
library. Ph. D. dissertation, Harvard University (1993).
R. L. Dunbrack, Jr. and M. Karplus. "Conformational analysis of the backbone-dependent
rotamer preferences of protein sidechains." Nature Struct. Biol.
1, 334-340 (1994).
Other Rotamer Libraries:
M. De Maeyer, J. Desmet, and I. Lasters. All in one: a highly detailed rotamer library improves both accuracy and speed in the modelling of sidechains by dead-end elimination. Folding and Design 2, 53-66 (1997).
S. C. Lovell, J. M. Word, J. S. Richardson, and D. C. Richardson.
The penultimate rotamer library. Proteins 40, 389-408 (2000).
J. W. Ponder and F. M. Richards. "Tertiary templates for proteins. Use
of packing criteria in the enumeration of allowed sequences for different
structural classes."
J. Mol. Biol. 193, 775-791 (1987).
P. Tuffery, C. Etchebest, S. Hazout, and R. Lavery. A new approach of the rapid
determination of protein side-chain conformations. J. Biomol. Struct. Dyn. 8, 1267-1289 (1991).
Z. Xiang and B. Honig. Extending the accuracy limits of prediction for side-chain conformation J. Mol. Biol.
311, 421-430 (2001).
