<p>(a) A topology diagram of sfGFP. β-strands, α-helices, and the chromophore are represented by gray arrows, black rectangles, and a white star, respectively. The DEVD peptide was integrated into the A (D23/G24), B (G51/K52), C (D102/D103), D (G134–L137), E (Q157/K158), F (D173/G174), G (G189/D190), and H (E213/K214) sites. (b) Root mean square fluctuation (RMSF) of the integrated peptides. The RMSF values represent the atomic fluctuations of each residue throughout 4.5–9.0 ns trajectories. Average fluctuation distances are also indicated. (c) Superimposed structures at every 0.5 ns throughout the 4.5–9.0 ns trajectory for mutant proteins in MD simulations. The integrated peptides are highlighted in magenta.</p
<p>(a) Cartoon representation of the peptide complex. The FxFG peptide is shown as pink sticks. The ...
<p>The secondary structure patterns of the fusion peptides FLA<sub>G</sub> (A) and FLA<sub>H</sub> (...
<p>Scatter plots for functional residues of (<b>A</b>) phosphoribosylanthranilate isomerase, (<b>B</...
<p>(a) Peptide sequences of the sfGFP and mutants. The integration region of each mutant is highligh...
<p>a. MD simulation trajectory for unbound HtrA2. b. RMSF graph for GQYYFV bound HtrA2. c. RMSF grap...
Fig a): The distribution of peptide plane O atom coordinates (ϑ, ψ) in our PDB pool of structures on...
<p>The empty molecule and the K<sup>b</sup>/C-terminally truncated peptide complex show high flexibi...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
<p>The plots show the secondary structures of four peptides (axis y) in each system as a function of...
<p>A) Snapshots at 20, 30, 40, and 50 ns of the protein structures during the simulation. The protei...
<p>(a) Superimposed structures of sfGFP, mH1, mH2, mH3, mH4, and mH5 at every 0.5 ns throughout the ...
<p>Name of the simulation is within each panel. Peptides A, B, C, D, E, F, G, and H are color coded ...
<p>A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...
<p>(A) RMSFs as calculated from MD simulations for MHC and peptide residues (inset). Only positions ...
<p>Panels (A–C) relate to replicate 1 at 293 K, whilst panels (D–F) relate to replicate 1 at 303 K. ...
<p>(a) Cartoon representation of the peptide complex. The FxFG peptide is shown as pink sticks. The ...
<p>The secondary structure patterns of the fusion peptides FLA<sub>G</sub> (A) and FLA<sub>H</sub> (...
<p>Scatter plots for functional residues of (<b>A</b>) phosphoribosylanthranilate isomerase, (<b>B</...
<p>(a) Peptide sequences of the sfGFP and mutants. The integration region of each mutant is highligh...
<p>a. MD simulation trajectory for unbound HtrA2. b. RMSF graph for GQYYFV bound HtrA2. c. RMSF grap...
Fig a): The distribution of peptide plane O atom coordinates (ϑ, ψ) in our PDB pool of structures on...
<p>The empty molecule and the K<sup>b</sup>/C-terminally truncated peptide complex show high flexibi...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
<p>The plots show the secondary structures of four peptides (axis y) in each system as a function of...
<p>A) Snapshots at 20, 30, 40, and 50 ns of the protein structures during the simulation. The protei...
<p>(a) Superimposed structures of sfGFP, mH1, mH2, mH3, mH4, and mH5 at every 0.5 ns throughout the ...
<p>Name of the simulation is within each panel. Peptides A, B, C, D, E, F, G, and H are color coded ...
<p>A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...
<p>(A) RMSFs as calculated from MD simulations for MHC and peptide residues (inset). Only positions ...
<p>Panels (A–C) relate to replicate 1 at 293 K, whilst panels (D–F) relate to replicate 1 at 303 K. ...
<p>(a) Cartoon representation of the peptide complex. The FxFG peptide is shown as pink sticks. The ...
<p>The secondary structure patterns of the fusion peptides FLA<sub>G</sub> (A) and FLA<sub>H</sub> (...
<p>Scatter plots for functional residues of (<b>A</b>) phosphoribosylanthranilate isomerase, (<b>B</...