The Rainey Lab

See the documentation page for further information on this script, and data source references.

Please choose data files for analysis
Output bargraph of secondary shifts Output plaintext secondary shifts Output comparison of secondary structure from shifts with that from dihedral angles Output plaintext torsion angles Calculate a STR secondary structure based on residue location within the peptide and SASA***
Choose PDB file to upload:
Choose STR file to upload:
Choose source of random coil chemical shifts (SDB* format): Upload own random coil chemical shift file Correct shifts for primary sequence using data from Schwarzinger**
Input legend for bargraph:

Advanced Settings


Use own legends for bargraph
Shifts to consider in analysis (e.g. HA):
Shift significance thresholds (For H, C; d ppm):
Scale of graph (1/d ppm): Suggested: 1 for C shifts, 10 for H shifts
Height of graphical output (in pixels):

Bar Graph Colour Settings
Graph bar colour using first SDB (RBG format: e.g. (255, 255, 255))
Iteration for subsequent SDBs (+/- to initial values):
Background colour:
Text colour:
Line colour:
Threshold colour:

* Please see script documentation for format of SDB files.
** Please see script documentation for references.
*** Requires an SASA-modified PDB file. Please see this script for details.