MDBind 4z7n 3

Molecular system

Starting structure: 4Z7NPDB 4Z7N(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 chains13,906 atoms919 residues
OtherOther48 atoms
Total13,961 atoms927 residues
Box dimensions: a14.652nm
b10.166nm
c10.191nm

Sequences

Sequence 1Protein · 455 residues

LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET GGVFLCPWRA EGGQCPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW SDVIVACAPW QHWNVLEKTE EAEKTPVGSC FLAQPESGRR AEYSPCRGNT LSRIYVENDF SWDKRYCEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA QPVVK

Sequence 2Protein · 464 residues

NICTTRGVSS CQQCLAVSPM CAWCSDEALP LGSPRCDLKE NLLKDNCAPE SIEFPVSEAR VLEDRPLSDK GSGDSSQVTQ VSPQRIALRL RPDDSKNFSI QVRQVEDYPV DIYYLMDLSY SMKDDLWSIQ NLGTKLATQM RKLTSNLRIG FGAFVDKPVS PYMYISPPEA LENPCYDMKT TCLPMFGYKH VLTLTDQVTR FNEEVKKQSV SRNRDAPEGG FDAIMQATVC DEKIGWRNDA SHLLVFTTDA KTHIALDGRL AGIVQPNDGQ CHVGSDNHYS ASTTMDYPSL GLMTEKLSQK NINLIFAVTE NVVNLYQNYS ELIPGTTVGV LSMDSSNVLQ LIVDAYGKIR SKVELEVRDL PEELSLSFNA TCLNNEVIPG LKSCMGLKIG DTVSFSIEAK VRGCPQEKEK SFTIKPVGFK DSLIVQVTFD CDCACQAQAE PNSHRCNNGN GTFECGVCRC GPGW

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

26 files · 200 MB

All files200 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
pca_trajectory_08.binBIN
pca_trajectory_09.binBIN

Description

Molecular system

Sequences

Experiments

Files

Contributors