PMC:2728246 / 44148-45086 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/2728246","sourcedb":"PMC","sourceid":"2728246","source_url":"https://www.ncbi.nlm.nih.gov/pmc/2728246","text":"Despite already good agreement, we could improve the correlation between the two independently determined order parameters even further in the following way: We multiplied the rotamer-based order parameter (CCi) with a local backbone order parameter, (NHi) or (NHi+1), representing small-scale rapid fluctuation (compare Fig. 4g, h). Slightly better agreement is obtained using the following NHi+1 order parameters (Fig. 4g, h, residue i + 1, red, rmsd = 0.18 and r = 0.63) compared to those from the previous NHi (Fig. 4g, h, residue i, green, rmsd = 0.22 and r = 0.47). This result indicates that both rotameric sampling and fast small-scale libration around equilibrium positions generally have an important contribution to the overall mobility of the CCmet bond. With this correction of the (CCi) order parameters, they fit with the largest correlation coefficient r and the smallest rmsd to the order parameters derived from our MFA.","tracks":[]}