Microsecond backbone motions modulate the oligomerization of the DNAJB6 chaperone

This directory contains data associated with
'Microsecond backbone motions modulate the oligomerization of the DNAJB6 chaperone'
Cawood E.E, Clore G.M, Karamanos T.K
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.
2. structure:The 10 lowest models of the refine T193A CTD structure are provided. These are submitted to pdb as 7QBY.
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
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)