Unstructured Residues Tutorial
Many times crystals have unstructured residues on their tails as the result of chemical tagging in the purification process. Additionally, many modelling programs output unstructured tails when the template does not contain those residues. In both these cases, we can chop off these tails so they do not interfere with docking. The server will chop off all residues at both terminii until 2 away from a residue classified as one of:
- H: alpha helix
- E: extended strand
- G: 3-helix
- I: 5-helix
- T: hydrogen bonded turn
This classification is performed by the dssp program.
- To remove unstructured residues, you will need to click on "Advanced Options" and then "Structure Modification". You can then check the boxes to remove residues from the receptor, ligand, or both.
If you have any questions, please look to see if it is addressed on the help page. If you have any suggestions, please contact us.
ClusPro should only be used for noncommercial purposes.
Vajda Lab and ABC Group
Boston University and Stony Brook University
Vajda Lab and ABC Group
Boston University and Stony Brook University