mdCATH 4az3B00

Open

Antonio Mirarchi;Toni Giorgino;Gianni De Fabritiis;

MD-A0081N

Created: 27 Jan 2026
License: This trajectory is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/. (opens in a new tab)

413_rep3NVT

2,522 atomsFull system

Loading structure.

Length: 500 ns@ 4 fs = 125,000,000 steps
Frames: 5001 frame every 1,000 ps
Ensemble: NVTconstant number of particles, volume and temperature
Temperature: 413 K
Force field: CHARMM22*water model TIP3P
Atoms: 2,522
Composition: Total system2,522 atoms · 155 residues
Protein2,522 atoms · 155 residues
Lipids0 atoms · 0 residues
Carbohydrates0 atoms · 0 residues
Solvent0 atoms · 0 residues
Counter-ions: 0Cations (+)
0Anions (-)
0Total ions