This is the data and Python script package of structural analysis for paper:
Akek A. et al DNA mismatches reveal conformational penalties in protein-DNA recognition (2020) Nature
By Honglue Shi contact: honglue.shi@duke.edu
Survey folder
This is the folder of the PDB survey of Watson-Crick and mismatched base pairs, the data base was updated on 08/16/2017
TF_PDB folder
This is the folder of the structural analysis of all TF used in this study as well as the newly determined TBP-DNA structure in this study
MM_free folder
This is the folder of scripts of the structural analysis of unbound mismatch by using MD simulation to obtain an cutoff of structural distortions by mismatch for the high-throughput structural analysis used in this study
Paper folder
This is the folder containing all the organized raw data, Python scripts and plots used for this paper.