Analysis of single MD

Job name: Zajecia 9 - 3x

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Charts:

Heatmap of unfolding of substrate (chain E) during simulation.

Color denotes a probability of presence of a hydrogen bond in subsequent parts of the simulation.

H - α-Helix, G - 310-Helix, I - π-Helix, E - Strand, B - Bridge, C - Coil, T - Turn.

Job info

GS Mode: membrane
Peptide substrate: A4_HUMAN
Trimmed sequence: LVFFAEDVGSNKGAIIGLMVGGVVIATVIVITL
Substrate length [aa]: 33
Total length [ns]: 5
Membrane thickness [Å]: 31.0
SMD chain and residues: E 33
SMD velocity [m/s]: 0.3
SMD k [kcal/mol/Å2]: 1.0
SMD (x y z) [Å]: (-3.76 -0.096 -8.898)
Mutations: BE280A, BG384A, BA434C

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