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Simulation report and files

General information

Name: NSP-13 Helicase

Included proteins: NSP13

Uniprot ID: P0DTD1

Species: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)

PDB ID(template for theoretical model): 6JYT

Submitted by: Exscalate4CoV - CINECA

Submission date: May 05, 2021

System setup

Ligands: None

Membrane composition: None

Solvent type: None

Total number of atoms: 9294

Simulation details

Software and version: GROMACS 2020.2

Forcefield and version: AMBER 99

Time step : 0.2 fs

Delta : 2.0 ns

Replicates: 1

Accumulated simulation time: 396.2020 µs

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The interaction network has been generated using Flare Plots, powered by R. Fonseca and A. J. Venkatakrishnan.

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NSP-13 Helicase (Theoretical model, template: 6JYT)

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General
RMSD
Trajectory:
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Reference: frame from trajectory
Selection:
Protein alpha carbons
Protein CA, CB, C, N, O
Non-hydrogen protein atoms
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RMSF
Trajectory:
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All
From to
Stride:
Selection:
Protein alpha carbons
Protein CA, CB, C, N, O
Non-hydrogen protein atoms
All protein atoms
Variant impact
No variants found in the sequence of this structure.