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Table 4 Function prediction performance of motif ensembles versus single-structure motifs at significance threshold of α = 0.01.

From: Analysis of substructural variation in families of enzymatic proteins with applications to protein function prediction

 

Single structure motif

Motif ensemble (CV)

Improvement(x-fold)

EC class

      
 

%Sens. (#TP)

%Spec. (#FP)

%Sens. (#TP)

%Spec. (#FP)

Sens.

Spec.

1.1.1.1

52.4% (43)

99.2% (83)

74.3 ± 7.0% (61)

99.4 ± 0.0% (62 ± 4)

1.4

1.0

1.1.1.21

93.3% (83)

99.1% (146)

93.2 ± 4.8% (83)

99.2 ± 0.1% (136 ± 5)

1.0

1.0

1.11.1.7

91.6% (76)

99.1% (131)

92.7 ± 10.0% (77)

99.5 ± 0.0% (78 ± 8)

1.0

1.0

1.14.13.39

90.5% (114)

99.3% (87)

96.1 ± 2.7% (121)

99.4 ± 0.0% (73 ± 7)

1.1

1.0

2.5.1.18

25.3% (48)

99.1% (171)

46.3 ± 5.1% (88)

99.2 ± 0.0% (140 ± 5)

1.8

1.0

2.6.1.1

66.7% (70)

99.1% (153)

82.9 ± 5.4% (87)

99.3 ± 0.0% (121 ± 5)

1.2

1.0

2.7.4.6

81.7% (49)

99.2% (137)

88.3 ± 2.6% (52)

99.4 ± 0.1% (113 ± 5)

1.1

1.0

3.1.1.7

98.2% (108)

99.2% (82)

99.0 ± 2.0% (108)

99.4 ± 0.0% (60 ± 2)

1.0

1.0

3.1.3.1

84.1% (37)

99.1% (122)

100.0 ± 0.0% (44)

99.3 ± 0.0% (97 ± 6)

1.2

1.0

3.1.3.48

28.6% (71)

99.1% (155)

56.1 ± 3.6% (139)

99.4 ± 0.1% (109 ± 11)

2.0

1.0

3.2.1.1

83.5% (111)

99.1% (149)

88.7 ± 7.9% (117)

99.4 ± 0.1% (102 ± 17)

1.1

1.0

3.5.2.6

35.0% (89)

99.2% (144)

81.2 ± 6.3% (208)

99.4 ± 0.0% (107 ± 9)

2.3

1.0

4.2.1.1

87.9% (248)

99.1% (112)

95.3 ± 3.5% (269)

99.6 ± 0.0% (49 ± 4)

1.1

1.0

5.3.1.1

78.9% (75)

99.1% (143)

82.1 ± 10.9% (78)

99.4 ± 0.1% (100 ± 11)

1.0

1.0

5.3.1.5

97.3% (71)

99.1% (118)

98.5 ± 2.3% (71)

99.4 ± 0.1% (92 ± 11)

1.0

1.0

  1. For each single-structure motif, a motif ensemble was constructed using FASST-MESH. Next to each % sensitivity value is the total number of true positive (TP) matches; next to each % specificity value is the total number of false positive (FP) matches. The performance of motif ensembles was assessed using 5-fold cross-validation and the sensitivity/specificity values correspond to mean ± standard deviation across the 5 folds. The x-fold improvement is calculated as: mean motif ensemble performance divided by single-structure performance.