Trajectory SP361

Force field: martini_v2.2P
Simulation length (ns): 5000
Electric field (kJ mol-1 nm-1 e-1): 0
Temperature (K): 300 (v-rescale)
Pressure (bar): 1 (parrinello-rahman semiisotropic)
Number of particles: 24217
Time step (fs) : 25
Software: GROMACS 2020
Supercomputer: Finisterrae II CESGA
Peptides: P61 DRAMP01301
Lipids: DOPC, DOPE, DOPS, DPSM
Heteromolecules: CHOL
Ions: NA
Water model: PW

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Sequence :
FLSLIPHAINAVSAIAKHN
Total charge (e): +1
Number of residues: 19
By amino acid:
  Basic: 3
  Acidic: 0
  Hydrophobic: 12
  Polar: 4
Electrostatic Dipolar Moment (e nm): 2.19
Longitudinal (e nm): 2.11
Transversal (e nm): 0.59
Hydrophobic Dipolar Moment (nm): 20.7
Longitudinal (nm): 20.2
Transversal (nm): 4.82
Secondary structure: Helix
Activity:

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  ITP file.
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Lipids


Membrane model for: DOPC:DOPE:DOPS:DPSM:CHOL (3:3:3:2:4) (Cancer)

DOPC
1,2-dioleoyl-sn-glycero-3-phosphocholine
Total charge (e): 0

  See DOPC lipid
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DOPE
1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
Total charge (e): 0

  See DOPE lipid
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DOPS
1,2-dioleoyl-sn-glycero-3-phospho-L-serine
Total charge (e): -1

  See DOPS lipid
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DPSM
Sphingomyelin C(d18:1/18:0) N-stearoyl-D-erythro tails
Total charge (e): 0

  See DPSM lipid
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  Download PDB File.

NO DATA