NAFlex CG noalch2

Description

Milosz MSCA

Molecular system

Force field: TIP3P
Engine: GROMACS
Method: Classical MD
Frames: 273
Composition: Molecules of interest
ProteinProtein · 4 chains13,122 atoms800 residues
Nucleic acidNucleic9,195 atoms290 residues
OtherOther48 atoms
Total22,365 atoms1,098 residues
Box dimensions: a13.5nm
b13.5nm
c9nm

Sequences

Sequence 1Protein · 101 residues

XKKPHRYRPG TVALREIRRY QKSTELLIRK LPFQRLVREI AQDFKTDLRF QSSAVMALQE ACEAYLVGLF EDTNLCAIHA KRVTIMPKDI QLARRIRGER A

Sequence 2Protein · 88 residues

XKRHRKVLRD NIQGITKPAI RRLARRGGVK RISGLIYEET RGVLKVFLEN VIRDAVTYTE HAKRKTVTAM DVVYALKRQG RTLYGFGG

Sequence 3Protein · 120 residues

XRAKAKTRSS RAGLQFPVGR VHRLLRKGNY SERVGAGAPV YLAAVLEYLT AEILELAGNA ARDNKKTRII PRHLQLAIRN DEELNKLLGR VTIAQGGVLP NIQAVLLPKK TESHHKAKGK

Sequence 4Protein · 95 residues

XSRKESYSIY VYKVLKQVHP DTGISSKAMG IMNSFVNDIF ERIAGEASRL AHYNKRSTIT SREIQTAVRL LLPGELAKHA VSEGTKAVTK YTSAK

Sequence 5Nucleic acid · 145 residues

GGAGAATCCC GGTGCCGAGG CCGCTCAATT GGTCGTAGAC AGCTCTAGCA CGGCTTAAAC CGACGTACGC GCGGTCCCCC GCGTTTTAAC CGCCAAGGGG ATTACTCCCT AGTCTCCAGG CACGTGTCAG ATATATACAT CCTGT

Sequence 6Nucleic acid · 145 residues

ACAGGATGTA TATATCTGAC ACGTGCCTGG AGACTAGGGA GTAATCCCCT TGGCGGTTAA AACGCGGGGG ACCGCGCGTA CGTCGGTTTA AGCCGTGCTA GAGCTGTCTA CGACCAATTG AGCGGCCTCG GCACCGGGAT TCTCC

Experiments

Run	Outputs
replica 1	Trajectory Analyses

Files

35 files · 118 MB

All files118 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

Contributors

Research groups: IRB Barcelona, Orozco lab