Figure 2

Assessing accuracy and significance of ATP-binding descriptors. A. Precision-recall curve for ATP-binding descriptors derived from protein structures with bound ATP or ADP tested against Swiss-Prot, shown as curve with red circles. Each circled point corresponds to a different E-value cutoff. The Prosite patterns for "ATP-binding" and "ADP-binding" are included as well (green crosses). Overall, Prosite achieves a recall of 31% with a precision of 62% (blue cross). For all E-values, our method performs better than Prosite. B. Distribution of E-values for the ATP-binding descriptors. To assess the significance of hits, the descriptors were tested both against Swiss-Prot (black line) and a shuffled Swiss-Prot version (red line). The cumulative number of hits below a certain E-value threshold is shown. The inlet shows a magnification of the lower right corner. Below an E-value of 1 (dotted vertical line), ~53,000 hits are found in Swiss-Prot whereas only ~1,200 hits are found in the shuffled Swiss-Prot.