Dynarepo 4FZV

Molecular system

Starting structure: 4FZVPDB 4FZV(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 chains8,914 atoms554 residues
Total8,914 atoms554 residues
Box dimensions: Dodecahedron
a13.524nm
b13.524nm
c9.565nm

Sequences

Sequence 1Protein · 347 residues

FPAVRLALQN FDMTYSVQFG DLWPSIRVSL LSEQKYGALV NNFAAWDHVS AKLEQLSAKD FVNEAISHWE LQSEGGQSAA PSPASWACSP NLRCFTFDRG DISRFPPARP GSLGVMEYYL MDAASLLPVL ALGLQPGDIV LDLCAAPGGK TLALLQTGCC RNLAANDLSP SRIARLQKIL HSYVPEEIRD GNQVRVTSWD GRKWGELEGD TYDRVLVDVP CTTDRHSLHE EENNIFKRSR KKERQILPVL QVQLLAAGLL ATKPGGHVVY STCSLSHLQN EYVVQGAIEL LANQYSIQVQ VEDLTHFRRV FMDTFCFFSS CQVGELVIPN LMANFGPMYF CKMRRLT

Sequence 2Protein · 207 residues

QQLLDIISEF ILLGLNPEPV CVVLKKSPQL LKLPIMQMRK RSSYLQKLGL GEGKLKRVLY CCPEIFTMRQ QDINDTVRLL KEKCLFTVQQ VTKILHSCPS VLREDLGQLE YKFQYAYFRM GIKHPDIVKS EYLQYSLTKI KQRHIYLERL GRYQTPDKKG QTQIPNPLLK DILRVSEAEF LARTACTSVE EFQVFKKLLA REEEESE

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

Files

69 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