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Table 3 THEMATICS success rates for site prediction.

From: Selective prediction of interaction sites in protein structures with THEMATICS

Z Score Cut-Off

Correct percentage based on CatRes

Partially Correct percentage based on CatRes

Total Success based on CatRes

Total % Success based on Reference Set 2

Total % Success based on Reference Set 3

Filtration Ratio

1.00

48.5%

29.0%

77.5%

82.2%

89.9%

2.5%

0.99

59.8%

26.0%

85.8%

88.2%

92.9%

3.3%

0.98

66.9%

21.3%

88.2%

90.5%

94.1%

3.8%

  1. Success rate is expressed as correct, partially correct, and total, using a Z score cut-off of 1.00, 0.99 and 0.98 for the test set of 169 enzymes. The total success rate is reported using three different reference sets of active site residues. Reference Set 1 is the CatRes/CSA database only; Reference Set 2 adds annotations from the PDB SITE field and associated journal articles; Reference Set 3 adds residues in contact with bound ligands.