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Table of tables<br />

Table 2.1: Amino acid frequency of occurrence in hinges 96<br />

Table 2.2: Proximity to active sites 97<br />

Table 2.3: Secondary Structure 98<br />

Table 2.4: Physicochemical class 99<br />

Table 2.5: Conservation 100<br />

Table 2.6: Solvent accessibility 101<br />

Table 2.7: Number of hinge points per protein in the Hinge Atlas 102<br />

Table 2.8: Statistical analysis of HingeSeq predictor. 103<br />

Table 2.9: GO terms 104<br />

Table 2.10: Manual vs. computer annotated sets 105<br />

Table 3.1: Summary of predictor results. 157<br />

Table 3.2: Summary of two-cut predictor results under the loose criterion (14-residue<br />

window). 158<br />

Table 4.1: Predictors at a glance. 231<br />

Table 4.2: Fitting of HingeMaster parameters 232<br />

Table 4.3: Performance of the predictors against the Hinge Atlas Gold annotation. 234<br />

Table 4.4: Summarized performance under the loose criterion. 235<br />

Table 4.5: Predictor results for individual proteins. 236<br />

Table 5.1: MolMovDB ID, PDB ID, free energy of binding, and sRMSD for redocked,<br />

starting, and predicted structures. 273<br />

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