Ghost in the Cell

Code is being updated.  Here we're looking at one of the best resolved polyQ regions in the Huntingtin protein. The resolution of small beta structures was made possible by histidine inserts. Beta turns contribute to nucleation in Huntington's disease, enabling the formation of larger beta structures, and downstream aggregation and propagation. Further analysis of the paper methodology would be updated in this same post. This is a test-drive of bio3d 2.3-0 in R studio. Since 4FE8 contains multiple copies of HTT in various conformations, I first got familiar with the 3D structure in Samson, and then deleted non-relevant duplicate chains. You can also use the  pdbsplit function if you're familiar with the structure.  Although 4FE8 consists of 410 amino acids, the first 370 amino acids are actually from the maltose binding protein (MBP), which aids in solubility and crystallisation of the structure. The MBP is fused to the N-terminal of HTT. Therefore, the HTT protei...