ILE {ClusTorus}R Documentation

ILE: Structure of the Isoleucine


An isomer of leucine, essential branched-chain aliphatic amino acid found in many proteins.




This list contains the following components:


main chain torsion angle for atoms C,N,CA,C.


main chain torsion angle for atoms N,CA,C,N.


side chain torsion angle for atoms N,CA,CB,*G.


side chain torsion angle for atoms CA,CB,*G,*D.


ILE data is generated with collection of different pdb files. To select adequate protein data, we use PISCES server. (the method is introduced in articles of references.) To select high-quality protein data, we use several benchmarks: resolution : 1.6A(angstrom) or better, R-factor : 0.22 or better, Sequence percentage identity: <= 25 Then, we select ILE only angular data for each protein data. To see the detail code, visit


This data is extracted from PISCES server


Data description is from

The data extracting method is from Harder, T., Boomsma, W., Paluszewski, M., Frellsen, J., Johansson, K. E., & Hamelryck, T. (2010). Beyond rotamers: a generative, probabilistic model of side chains in proteins. BMC bioinformatics, 11(1), 1-13.

Mardia, K. V., Kent, J. T., Zhang, Z., Taylor, C. C., & Hamelryck, T. (2012). Mixtures of concentrated multivariate sine distributions with applications to bioinformatics. Journal of Applied Statistics, 39(11), 2475-2492.

See Also

Description of the angluar information is from the 'value' part of torsion.pdb in the package bio3d.

[Package ClusTorus version 0.2.2 Index]