<p>In both cases the reference structures are shown in gray while the final structure obtained at the end of 100 ns simulations are shown in red for FU-nm and blue for FU-m. c) Panel highlights two specific regions in the structure that shows maximum deviation in the non-metallated case. The first column shows variation in the SH3 domain, while the second column represents variation in the DNA binding helix [DBH]. Each row in the panel represents the four monomeric subunits.</p
<p>Superposition of selected models, templates and native structures are in magenta, cyan and blue, ...
<p>The structures of (A) WT, (B) G12D and, (C) G13D KRAS proteins are drawn in cartoon putty represe...
<p>Standard deviation was calculated from the last 3 blocks of the simulation data (100 ns of each) ...
<p>(A) Overall representative structure of the XfOhr-SH (cyan), E51A-XfOhr (orange) and R19A-XfOhr (...
<p>A - Superposition of the initial structure (red) vs. the most favorable conformation of a simulat...
<p>The visual superpositions for average structures of Smad4+DNA+Smad1 (light blue) and Smad1+DNA+Sm...
<p>Panel (A) represents the average fluctuations of Cα atoms represented by B-factors per residue ca...
<p>(A) Light grey cartoon represents Hsc70's NBD (PDB: 1BUP) in the “closed” conformation and the gr...
<p>(A) The cartoon representation of 11.5 TAL repeats and the DNA. The superhelical pitch of dHax3 i...
<p>The cartoon representation of the protein structure possessing the most frequently observed spati...
<p>(A) The cartoon representation of 11.5 TAL repeats, with the intramolecular angle being defined b...
<p>Superposition of the final snapshot (colored in blue for the wild-type in the left panel and red ...
<p>Amino acid variations across these three sequences are mapped on the protein models (arrows). The...
<p>(A) Comparison between the overall representative structures of XfOhr-S<sup>-</sup> (green) and X...
Each column represents one amino acid. Extended β-strands are colored yellow, α-helices are brown, t...
<p>Superposition of selected models, templates and native structures are in magenta, cyan and blue, ...
<p>The structures of (A) WT, (B) G12D and, (C) G13D KRAS proteins are drawn in cartoon putty represe...
<p>Standard deviation was calculated from the last 3 blocks of the simulation data (100 ns of each) ...
<p>(A) Overall representative structure of the XfOhr-SH (cyan), E51A-XfOhr (orange) and R19A-XfOhr (...
<p>A - Superposition of the initial structure (red) vs. the most favorable conformation of a simulat...
<p>The visual superpositions for average structures of Smad4+DNA+Smad1 (light blue) and Smad1+DNA+Sm...
<p>Panel (A) represents the average fluctuations of Cα atoms represented by B-factors per residue ca...
<p>(A) Light grey cartoon represents Hsc70's NBD (PDB: 1BUP) in the “closed” conformation and the gr...
<p>(A) The cartoon representation of 11.5 TAL repeats and the DNA. The superhelical pitch of dHax3 i...
<p>The cartoon representation of the protein structure possessing the most frequently observed spati...
<p>(A) The cartoon representation of 11.5 TAL repeats, with the intramolecular angle being defined b...
<p>Superposition of the final snapshot (colored in blue for the wild-type in the left panel and red ...
<p>Amino acid variations across these three sequences are mapped on the protein models (arrows). The...
<p>(A) Comparison between the overall representative structures of XfOhr-S<sup>-</sup> (green) and X...
Each column represents one amino acid. Extended β-strands are colored yellow, α-helices are brown, t...
<p>Superposition of selected models, templates and native structures are in magenta, cyan and blue, ...
<p>The structures of (A) WT, (B) G12D and, (C) G13D KRAS proteins are drawn in cartoon putty represe...
<p>Standard deviation was calculated from the last 3 blocks of the simulation data (100 ns of each) ...