MDBind 5d6j

Molecular system

Starting structure: 5D6JPDB 5D6J(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 chains10,756 atoms704 residues
CarbohydratesCarbohydrate43 atoms1 residues
Total10,800 atoms706 residues
Box dimensions: a9.554nm
b10.582nm
c10.309nm

Sequences

Sequence 1Protein · 630 residues

MPFHNPFIKD GQIKFPDGSS IVAHVERWAK VRGDKLAYRF LDFSTERDGV PRDLTWAQFS ARNRAVAARL QQVTQPGDRV AILCPQNLDY LVAFFGALYA GRIAVPLFDP SEPGHVGRLH AVLDNCHPSA ILTTTEAAEG VRKFFRTRPA NQRPRVIAVD AVPDDVASTW VNPDEPDETT IAYLQYTSGS TRIPTGVQIT HLNLATNVVQ VIEALEGEEG DRGLSWLPFF HDMGLITALL APMIGHYFTF MTPAAFVRRP ERWIRELARK EGDTGGTISV APNFAFDHAA ARGVPKPGSP PLDLSNVKAV LNGSEPISAA TVRRFNEAFG PFGFPPKAIK PSYGLAEATL FVSTTPSAEE PKIITVDRDQ LNSGRIVEVD ADSPKAVAQA SAGKVGIAEW AVIVDAESAT ELPDGQVGEI WISGQNMGTG YWGKPEESVA TFQNILKSRT NPSHAEGATD DATWVRTGDY GAFYDGDLYI TGRVKDLVII DGRNHYPQDL EYSAQEASKA IRTGYVAAFS VPANQLPDEV FENAHSGIKR DPDDTSEQLV IVAERAPGAH KLDIGPITDD IRAAIAVRHG VTVRDVLLTA AGAIPRTSSG KIGRRACRAA YLDGSLRAGK VANDFPDATD

Sequence 2Protein · 74 residues

ETHINLKVSD GSSEIFFKIK KTTPLRRLME AFAKRQGKEM DSLRFLYDGI RIQADQTPED LDMEDNDIIE AHRE

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

34 files · 191 MB

All files191 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