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  1. Records
  2. mdCATH 3wltA02
  3. Experiments
  4. 348_rep3
  5. Overview
MD-A00C47

mdCATH 3wltA02

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  • 320_rep1
  • 320_rep2
  • 320_rep3
  • 320_rep4
  • 320_rep5
  • 348_rep1
  • 348_rep2
  • 348_rep3
  • 348_rep4
  • 348_rep5
  • 379_rep1
  • 379_rep2
  • 379_rep3
  • 379_rep4
  • 379_rep5
  • 413_rep1
  • 413_rep2
  • 413_rep3
  • 413_rep4
  • 413_rep5
  • 450_rep1
  • 450_rep2
  • 450_rep3
  • 450_rep4
  • 450_rep5
OverviewTrajectory viewerAnalyses
Warnings
  • There is at least one protein region which is not mapped to any reference sequence

Force Field & Water Model

Force field
  • CHARMM22*
Water modelTIP3P

Simulation Parameters

Frames
130
Frequency
1,000 ps
Simulation length
130 ns
Timestep
4 fs
Temperature
348 K
Ensemble
NVT

Simulation Box

Box type
  • cubic
X
N/A
Y
N/A
Z
N/A
Box volume
N/A

System Composition

Total system
2,732atoms186residues
Protein
2,732atoms186residues
Nucleic acids
0atoms0residues
Lipids
0atoms0residues
Carbohydrates
0atoms0residues
Solvent
0atoms0residues

Counter-Ions

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