Introduction

The Sider program analyses carbon methyl side-chain chemical shifts in terms of rotamer distributions. So far, only Valine residues can be analysed, while isoleucine and leucine side-chain chemical shifts can easily be analysed in terms of rotamer populations from recently published papers:

    Hansen et. al. J. Am. Chem. Soc. 2010, 132(22) pp 7589-7591
    Hansen et. al. J. Am. Chem. Soc. 2010, 132(1) pp 42-43

The program is only available for Mac OS X, however a Linux version that requires python installed is soon to be available for download here. Alternatively, you can use our web interface to calculate rotamer populations for Ile, Leu, and Val. The script below calculates rotamer populations for side-chain dihedral angles. For Valines, the chemical shifts of Cg1 and Cg2 are converted to rotamer populations of sidechain chi1, For Isoleucine, the Cd1 chemical shift is converted to chi2 rotamers populations, and for Leucine the chemical shifts of Cd1 and Cd2 are converted to rotamer populations of chi2.


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