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Chapter 3: FlexOracle: predicting<br />

flexible hinges by identification of<br />

stable domains<br />

Overview<br />

In the preceding chapter we discussed what various sequence features tell us about the<br />

location of hinges in proteins, and also evaluated the potential for sequence-based hinge<br />

prediction. The use of structural coordinates improves flexibility prediction greatly; we<br />

will now describe the first of several of our methods for predicting hinges with higher<br />

reliability. In Chapter 4 we will show that the method presented here can be combined<br />

with others for improved results.<br />

As discussed earlier, a substantial fraction of protein motions involve hinge bending, and<br />

for these proteins, the accurate identification of flexible hinges connecting rigid domains<br />

would provide significant insight into motion. Programs such as GNM and FIRST have<br />

made global flexibility predictions available at low computational cost, but are not<br />

designed specifically for finding hinge points. In this chapter, accepted for publication in<br />

106

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