Coverage of different ensembles by the unbound reference ensemble.

<p>The histogram-coverage of bound ensembles (red) compared to coverage of unbound control ensembles (blue) after projection of the structures onto the first PCA-eigenvector (<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1002704#pcbi-1002704-g002" target="_blank">fig. 2</a>) of backbone atoms of residues 1–70 (A), the PLS-DA difference vector of backbone atoms of residues 1–70 (B and D), and the PLS-DA difference vector of all non-hydrogen atoms of residues 1–70 (C). Ensembles in A–C have been sorted according to the coverages displayed in C. Uncertainties have been determined using the stationary bootstrap method.</p

Overlap between bound (red) and unbound control (blue) ensembles.

<p>Overlap has been calculated with the unbound reference ensemble after projection to the difference vector found by PLS-DA on single residues after fitting to the backbone and plotted versus distance from the binding partner. Residues displaying a significant difference in the bound ensemble are labelled.</p

Schematic description of the proposed binding models.

<p>The blue ensemble would be that of the unbound protein, the red that of the bound. A sketch of possible free energy profiles fitting the corresponding models is given on the right.</p

PLS-DA results on backbone atoms of residues 1–70.

<p>Different bound ensembles (red) and the unbound reference ensemble (blue) have been projected onto the difference vector between these ensembles as determined by PLS-DA.</p

Structures used for simulation setup.

<p>Structures used for simulation setup.</p

PCA results.

<p>Projection to the first two PCA-eigenvectors based on the backbone of residues 1–70 of all simulated ensembles. For comparison, the unbound reference ensemble is also plotted in blue. The original xray structures are marked in yellow. Histograms for the projection on the first eigenvectors are plotted above the corresponding plots. PDB codes for the starting structures of the simulations are in the upper left corner of each plot. Capital letters denote the chain identifier.</p

Example of a difference found in PLS-DA and it's structural origin.

<p>Histogram of the projection of bound (red) and unbound (blue) ensemble onto the difference vector found by PLS-DA for residue His68 of ensemble 1nbf chain C. Out of all 11 complexes studied, this residue shows the smallest overlap between bound and unbound ensembles. The inset shows the corresponding structures from the simulation ensembles.</p

Continuity and discontinuity in memory for threat

<p>Using a paradigm that allows a quasi-continuous tracking of memory performance over time, two experiments were designed to test the hypotheses that (a) persons with a cognitively avoidant style of coping with threat manifest a dissociation between (intact) short-term and (reduced) long-term retrieval of aversive information and (b) persons with a vigilant coping style recall aversive information particularly well after long retention intervals, provided they are free to think about aversive events. Study 1 (<i>N</i> = 75) showed that avoiders manifest a poor memory for aversive pictures after long retention intervals only. Study 2 (<i>N</i> = 95) replicated this finding. In addition, manipulation of the cognitive load during the retention interval influenced vigilants’ recall of aversive information in the predicted way. Results indicate that processes occurring during the retention interval are essential for individual difference in memory for aversive information and require similar attention as encoding, appraisal, and retrieval processes.</p