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Table 2 Prediction of hot spots with MAPPIS, Consurf [27] and Robetta [14,15]. Columns 1–4 are as in Table 1. The ROC curves were constructed by varying the MAPPIS threshold of the interaction score and the Consurf conservation grade. The sensitivity and the specificity were calculated with a MAPPIS score of 2 and Consurf score of 6, which gave the best performance. As no threshold could be varied for Robetta, we could not construct its ROC curves. The calculations were restricted to the PPI regions of the representatives as considered by MAPPIS. The last columns presents the number of mutations and hotspots retrieved from the AseDB database [10].

From: Spatial chemical conservation of hot spot interactions in protein-protein complexes

PDB: Chain

Name

Partner

MAPPIS

Consurf

Robetta

# Mutations

   

# PPIs

ROC area

Spec.

Sens.

ROC area

Spec.

Sens.

Spec.

Sens.

 

1a4y:A

RNase inhibitor

Angiogenin

4

0.74

0.78

0.75

0.18

0.78

0

0.75

0.8

14

1brs:A

Barnase

Barstar

6

0.75

1

0.5

n/a

n/a

n/a

0.5

0.67

8

1brs:D

Barstar

Barnase

6

1

1

1

n/a

n/a

n/a

1

1

6

1cbw I

BPTI

Trypsin

7

1

0.88

1

0.75

0.62

1

0.75

1

9

1gc1:C

CD4

gp120

6

0.74

0.86

0.67

0.58

0.62

0.67

0.81

0.33

49

1bxi:A

Im9

E9 DNase

6

0.72

1

0.44

0.72

0.88

0.56

0.88

0.44

28

1dan:L

Factor VII

Tissue Factor

6

1

0.73

1

0.23

0.64

0

0.73

1

107

1jck:A

TCR Vb

SEC3

6

0.65

0.88

0.4

0.41

0.75

0

1

0.5

24

1jck:B

SEC3

TCR Vb

6

0.75

1

0.5

0.31

0.5

0.12

1

0.62

10

1vfb:C

HEL

D.1.3

7

0.51

0.62

0.5

0.27

0.62

0.25

1

0

12

3hfm:Y

HEL

HYHEL

8

0.62

0.6

0.67

0.78

0.7

0.67

0.8

1

13

3hhr:A

hGH

hGHbp

4

0.74

1

0.52

0.59

0.44

0.68

0.94

0.32

161

   

Mean MAPPIS

Mean Consurf

Mean Robetta

Total

   

6

0.77

0.86

0.66

0.48

0.66

0.4

0.85

0.64

440 (116)