Dynarepo 4ZGY

Molecular system

Starting structure: 4ZGYPDB 4ZGY(opens in a new tab)
Force field: CHARMM36mTIP3P
Engine: GROMACS 2024.2
Method: Classical MD
Ensemble: NPT
Temperature: 310 K
Timestep: 2 fs
Composition: Molecules of interest
ProteinProtein · 2 chains8,266 atoms528 residues
Total8,266 atoms528 residues
Box dimensions: Dodecahedron
a11.224nm
b11.224nm
c7.963nm

Sequences

Sequence 1Protein · 403 residues

TAKDILDQKI NEVSSSDDKD AFYVADLGDI LKKHLRWLKA LPRVTPFYAV KCNDSKAIVK TLAATGTGFD CASKTEIQLV QSLGVPPERI IYANPCKQVS QIKYAANNGV QMMTFDSEVE LMKVARAHPK AKLVLRIATD DSKAVCRLSV KFGATLRTSR LLLERAKELN IDVVGVSFHV GSGCTDPETF VQAISDARCV FDMGAEVGFS MYLLDIGGGF PGSEDVKLKF EEITGVINPA LDKYFPSDSG VRIIAEPGRY YVASAFTLAV NIIAKKIVLK EQTGSDDEDE SSEQTFMYYV NDGVYGSFNC ILYDHAHVKP LLQKRPKPDE KYYSSSIWGP TCDGLDRIVE RCDLPEMHVG DWMLFENMGA YTVAAASTFN GFQRPTIYYV MSGPAWQLMQ QFQ

Sequence 2Protein · 125 residues

FYSDDRLNVT EELTSNDKTR ILNVQSRLTD AKRINWRTVL SGGSLYIEIP GGALPEGSKD SFAVLLEFAE EQLRADHVFI CFHKNREDRA ALLRTFSFLG FEIVRPGHPL VPKRPDACFM AYTFE

Run	Outputs
replica 1	Trajectory Analyses
replica 2	Trajectory Analyses
replica 3	Trajectory Analyses

Files

70 files

All files

trajectory.binBIN
pca_trajectory_01.binBIN
pca_trajectory_02.binBIN
pca_trajectory_03.binBIN
pca_trajectory_04.binBIN
pca_trajectory_05.binBIN
pca_trajectory_06.binBIN
pca_trajectory_07.binBIN
pca_trajectory_08.binBIN
pca_trajectory_09.binBIN

Description

Molecular system

Sequences

Experiments

Files

Contributors

Acknowledgements