Table 3 Conformational heterogeneity for methyl groups from the average structure and dynamic ensembles of ubiquitin and correlation with RDC-derived average spherical harmonics
PDB Number of conformers Positional rmsd of all methyl group carbons Av ± st dev order parameter Pearson correlation (<Y2,M>) rmsd (<Y2,M>) References
1d3z 10 0.54 ± 0.23 Å 0.87 ± 0.19 0.8379 0.0758 Cornilescu et al. (1998)
1xqq 128 1.76 ± 0.32 Å 0.59 ± 0.27 0.8497 0.0597 Lindorff-Larsen et al. (2005)
2nr2 144 1.43 ± 0.24 Å 0.66 ± 0.21 0.8748 0.0588 Richter et al. (2007)
2k39 116 2.28 ± 0.43 Å 0.45 ± 0.29 0.8568 0.0496 Lange et al. (2008)
«brub» 50 1.77 ± 0.28 Å 0.59 ± 0.26 0.8092 0.0648 Friedland et al. (2009)