Welcome to Non-Natural Residue Module for Experts

This module is used to predict the tertiary structure of peptides having non-natural modified residues. Two libraries of non-natural residues are implemented which are Forcefield_NCAA and SwissSideChain covering 147 and 210 non-natural residues respectively. A user needs to select either of the force field libraries and needs to enter the position of residue in the box in front of the selected modified residue. For more information click help


Peptide Sequence Submission Form

Peptide sequence in plain text format                    
Email Address:

FFNCAA
Swiss Side-Chain

SELECT THE MODIFIED RESIDUES AND SUBMIT POSITION OF MODIFICATION

   
   
   
   
   
   
   
   
   
   


Advanced Options:  

Simulation Time: Peptide Environment:
Download topology files: Cluster Analysis:
Download whole trajectory: Energy and RMS graphs:

If you are using PEPstrMOD, please cite the following articles:
i) Singh, S., Singh, H., Tuknait, A., Chaudhary, K., Singh, B., Kumaran, S. and Raghava, G.P.S. (2015) PEPstrMOD: structure prediction of peptides containing natural, non-natural and modified residues. Biology Direct 10:73.
ii) Kaur, H., Garg, A. and Raghava, G.P.S. (2007) PEPstr: A de novo method for tertiary structure prediction of small bioactive peptides. Protein Pept Lett. 14:626-30.
Click Here for PEPstrMOD Manual