Library of 18 β turns and their Assignment Tool for mmCIF and PDB structure files

The software tool, Identify_18_BetaTurn_Types.py reads a protein structure in mmCIF or PDB format, locates beta turns and assigns their types using our 2018 library, consisting of 18 beta-turn types (BetaTurnLib18.txt). BetaTurnLib18.txt includes conformational centroids and medoids of 18 beta-turn types.

License and Availability

Both the beta-turn tool and library can be downloaded for further use in third-party tools and software. The tool and library are free, open-source, redistributable and modifiable under an MIT license. The software works on Mac and Unix. It requires installing mkdssp from DSSP4.5

Download

The software and usage instructions for Identify_18_BetaTurn_Types.py and BetaTurnLib18.txt are available from Github

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Article

A new clustering and nomenclature for beta turns derived from high-resolution protein structures.
Maxim Shapovalov, Slobodan Vucetic, Roland L. Dunbrack Jr, PLoS Comput Biol 2019, 15(3): e1006844. Article