Microsecond backbone motions modulate the oligomerization of the DNAJB6 chaperone

This directory contains data associated with <br>'Microsecond backbone motions modulate the oligomerization of the DNAJB6 chaperone'<br>Cawood E.E, Clore G.M, Karamanos T.K<br>1. relaxation: The residue numbering of reference 9 is used here. In order to convert to numbering of the wild type DNAJB6 used in the paper add 51 to the residue numbers reported (ie T142=T193) The NMR relaxation data shown in Figures 3, S2, S3, S4 are presented in the CPMGdata and R1rhodata directories. Each one contains a T142A directory that contains the data for the mutant. init_X.txt are the files that contain the initial values for the parameters and final_X.txt contain the optimised values fit_X.py are the python(2) scripts used to fit (or plot) the data. They require the numpy, scipy, matplolib, lmfit modules to work. states.py contains the mcconnel matrices for various models.<br>2. structure: The 10 lowest models of the refine T193A CTD structure are provided. These are submitted to pdb as 7QBY.<br>3. twistPot: The twistPot.py contains the new potential term tested for xplor-nih_2.52 twistPotTools.py contains various functions that use twistpot. Available also in karamanoslab.com/resources<br>4. Supplementary video 1:A morph between the structures shown in Fig. 4C. The twist of residues 203-206 in b2 is set to 4o (cyan) or 24o (red)