Initial simulation coordinates. per Oluwatoyin Campbell (14392137)

Matèries:

Protein conformational dynamics induced by presence of a lipid membrane. per Oluwatoyin Campbell (14392137)

Matèries:

Coulomb (electrostatic), Lennard-Jones (hydrophobic), and total interaction energy of interacting monomer helices in each model. per Oluwatoyin Campbell (14392137)

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Description of systems studied. per Oluwatoyin Campbell (14392137)

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Distance of each amino acid from the average position of phosphorus atoms in the contacting membrane leaflet in the <i>Surface</i> systems. per Oluwatoyin Campbell (14392137)

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Root mean square deviation measurements of monomers. per Oluwatoyin Campbell (14392137)

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Residue contact comparison with reference dimer structure. per Oluwatoyin Campbell (14392137)

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Energetics of protein interactions. per Oluwatoyin Campbell (14392137)

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Correlation of protein and lipid motions in the <i>Surface</i> model. per Oluwatoyin Campbell (14392137)

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Contact maps of residues during the last half of trajectory (200 ns in <i>Sep</i> and 500 ns in <i>Surface</i> model), based on a cutoff of 14 Å. per Oluwatoyin Campbell (14392137)

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Deviations of the <i>Bound</i> model protein dimer conformation from the reference crystal structure of the channel (PDBID: 2M6X). per Oluwatoyin Campbell (14392137)

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Surface replica 4 structural evaluation. per Oluwatoyin Campbell (14392137)

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List of protein residues and selected atoms to define the tilt angle vectors. per Oluwatoyin Campbell (14392137)

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Tilt angle conformational landscapes of residues involved in 1-to-1 helix contacts during the last 500 ns of trajectory in the <i>Surface</i> model. per Oluwatoyin Campbell (14392137)

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Tilt angle conformational landscapes of residues involved in 1-to-1 helix contacts during the last 200 ns of trajectory in the <i>Sep</i> model. per Oluwatoyin Campbell (14392137)

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Protein-lipid dynamic cross correlation maps for <i>Surface</i> replicas 2 and 4 during the entire trajectory. per Oluwatoyin Campbell (14392137)

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Initial positioning of monomers in replicas 1, 2, 3 and 4 of <i>Surface</i> model. per Oluwatoyin Campbell (14392137)

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RMSF per residue in individual p7 monomers for each <i>Sep</i> and <i>Surface</i> model replicas. per Oluwatoyin Campbell (14392137)

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Protein-lipid interactions in the <i>Surface</i> model. per Oluwatoyin Campbell (14392137)

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Suggested mechanism of p7 dimerization at the ER membrane surface, based on results from this study. per Oluwatoyin Campbell (14392137)

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