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  1. Records
  2. MDBind 4r59 1
  3. Experiments
  4. replica 2
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MD-A007IX

MDBind 4r59 1

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  • replica 1
  • replica 2
  • replica 3
  • replica 4
  • replica 5
  • replica 6
  • replica 7
  • replica 8
  • replica 9
  • replica 10
OverviewTrajectory viewerAnalyses
Warnings
  • Could not find a frame in the trajectory respecting all bonds if bonds were guessed according to atom coordinates and radius. The main PDB structure is a default structure and it would be considered to have wrong bonds if they were predicted as previously stated.

Force Field & Water Model

Force field
  • Amber ff14SB
  • GAFF
Water modelTIP3P

Simulation Parameters

Frames
50
Frequency
200 ps
Simulation length
10 ns
Timestep
2 fs
Temperature
N/A
Ensemble
N/A

Simulation Box

Box typeN/A
X
6.902 nm
Y
6.685 nm
Z
7.428 nm
Box volume
342.71 nm³

System Composition

Total system
4,102atoms260residues
Protein
4,054atoms258residues
Nucleic acids
0atoms0residues
Lipids
0atoms0residues
Carbohydrates
47atoms1residues
Solvent
0atoms0residues

Counter-Ions

Cations (+)
0
Anions (-)
0
Total ions
0