Adenylate kinase (1ake, 4ake)

Description

  • description

Status

  • finished
  • Total cpu-time: 663:10:14 (hh:mm:ss)

Input end-state structures

  • Start PDB code: 1AKE (chains: A,B)
  • Target PDB code: 4AKE (chains: A,B)

Input ensemble structures

  • 0 models

Major Normal Modes

  • - (overlap -)
  • - (overlap -)

Transitions

  • Forward: - % (- s)
  • Reverse: - % (- s)

RMSD

  • RMSD inital: 18.449 Å
  • RMSD final: - / - Å (forward/reverse)

Progress

RMSD

Files

Input

Output

    Local

    eBDIMS transitions can be reproduced on a local machine with the validated input data (i.e, start.pdb and target.pdb).
    Compile the eBDIMS source code and run the executable file from the command line as 
    ./eBDIMS_parallel [start.pdb] [target.pdb] [cutoff] [mode] [unbiasedSteps]
    The parameters used were:
    • [cutoff] = 6
    • [mode] = 3
    • [unbiasedSteps] = 1