Underlying data for "Global alignment and assessment of TRP channel transmembrane domain structures to explore functional mechanisms"

Output Files from Structural Alignment of TRP Channels
The archive contains the key output files resulting from the structural alignment of members of the TRP channel family described in "Global alignment and assessment of TRP channel transmembrane domain structures to explore functional mechanisms", Huffer et al., (2020), eLife.

Contents of trp_struct_align_outputs.tar.gz
Aligned_structures
For each alignment where the transmembrane (TM) domain of the mobile structure was aligned to the TM domain of the stationary/reference structure (6co7):
1) mobile_stationary_full_align.pdb: aligned based on Fr-TM-Align output matrix, contains all residues
2) mobile_stationary_tmem_align.pdb: aligned based on Fr-TM-Align output matrix, contains only TM residues used for alignment
3) mobile_stationary_hole.pdb: aligned based on Fr-TM-Align output matrix, contains HOLE profile of mobile structure

Alignments
Multiple sequence alignments constructed using the TM domain of each structure as the stationary/reference structure, with all other structures aligned pairwise.
1) stationary_full.ali: Full multiple sequence alignment containing all TM residues from all stationary and mobile structures.
2) stationary_nogap.ali: Multiple sequence alignment containing all TM residues from the stationary structure.  Any gaps in the stationary structure removed, which removes any residue in any mobile structure that does not align to the stationary/reference structure.

Fr-TM-Align_outputs
- frtmalign_output.csv: contains all information from Fr-TM-Align output files for each pairwise alignment of TM domains, including PDB IDs of mobile and stationary structures, lengths of mobile and stationary structures, length of pairwise alignment sequence, RMSD of alignment, TM-score of alignment, and sequence identity of alignment.
- aligned_length.csv, RMSD.csv, sequence_identity.csv, and TM_score.csv: csv files containing the specified values for all pairwise alignments of TM domains, with the mobile structure in rows and stationary structure in columns

Reproducibility
Code to reproduce this alignment and analysis is available on GitHub at: https://github.com/kehuffer/TRP_Structural_Alignment