MDBind 5yjb

Molecular system

Starting structure: 5YJBPDB 5YJB(opens in a new tab)
Force field: Amber ff14SB, GAFFTIP3P
Engine: Amber 20
Method: Classical MD
Timestep: 2 fs
Frames: 500
Composition: Molecules of interest
ProteinProtein · 2 chains12,519 atoms792 residues
OtherOther55 atoms
Total12,574 atoms793 residues
Box dimensions: a11.836nm
b15.644nm
c12.071nm

Sequences

Sequence 1Protein · 661 residues

SGVEGAAFQS RLPHDRMTSQ EAACFPDIIS GPQQTQKVFL FIRNRTLQLW LDNPKIQLTF EATLQQLEAP YNSDTVLVHR VHSYLERHGL INFGIYKRIK PLPTKKTGKV IIIGSGVSGL AAARQLQSFG MDVTLLEARD RVGGRVATFR KGNYVADLGA MVVTGLGGNP MAVVSKQVNM ELAKIKQKCP LYEANGQAVP KEKDEMVEQE FNRLLEATSY LSHQLDFNVL NNKPVSLGQA LEVVIQLQEK HVKDEQIEHW KKIVKTQEEL KELLNKMVNL KEKIKELHQQ YKEASEVKPP RDITAEFLVK SKHRDLTALC KEYDELAETQ GKLEEKLQEL EANPPSDVYL SSRDRQILDW HFANLEFANA TPLSTLSLKH WDQDDDFEFT GSHLTVRNGY SCVPVALAEG LDIKLNTAVR QVRYTASGCE VIAVNTRSTS QTFIYKCDAV LCTLPLGVLK QQPPAVQFVP PLPEWKTSAV QRMGFGNLNK VVLCFDRVFW DPSVNLFGHV GSTTASRGEL FLFWNLYKAP ILLALVAGEA AGIMENISDD VIVGRCLAIL KGIFGSSAVP QPKETVVSRW RADPWARGSY SYVAAGSSGN DYDLMAQPIT PGPSIPGAPQ PIPRLFFAGE HTIRNYPATV HGALLSGLRE AGRIADQFLG A

Sequence 2Protein · 131 residues

KPPKGMFLSQ EDVEAVSANA TAATTVLRQL DMELVSVKRQ IQNIKQTNSA LKEKLDGGIE PYRLPEVIQK CNARWTTEEQ LLAVQAIRKY GRDFQAISDV IGNKSVVQVK NFFVNYRRRF NIDEVLQEWE A

Run	Outputs
replica 1	Trajectory Analyses
replica 2	Trajectory Analyses
replica 3	Trajectory Analyses
replica 4	Trajectory Analyses
replica 5	Trajectory Analyses
replica 6	Trajectory Analyses
replica 7	Trajectory Analyses
replica 8	Trajectory Analyses
replica 9	Trajectory Analyses
replica 10	Trajectory Analyses

Files

22 files · 152 MB

All files152 MB

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
structure.pdbPDB
trajectory.xtcXTC

Description

Molecular system

Sequences

Experiments

Files

Contributors