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Comparison of PREDITOR and TALOS performance.

Table 4.   30o-accuracy of the full version of PREDITOR, PREDITOR shift-based only predictions and TALOS for the test/training set of 31 proteins.

Ref or BMRB#

Protein Name (Source)

PDB

Sheet

φ/ψ30

score

TALOS

φ/ψ30

score

Shiftor

(shift

only)

φ/ψ30

score

Shiftor

(full)

TALOS

Time (s)

Shiftor

Time (s)

[21]

Profilin I (A.castellani)

1ACF

41.1

81.1

61.39

68.3

 709.80

  25.2

[21]

FK506 Binding Protein (Human)

1BKF

57.9

72.4

64

91.3

883.2

24.0

[21]

Retinoic acid binding protein

1CBS

61.3

69.8

65.89

85.3

1857.00

31.2

[21]

Cutinase (F.solani)

1CEX

30.4

72.3

65.22

98.9

1405.2

44.2

[21]

Calmodulin (Drosophila)

1CLL

12.1

85.5

90.98

82.8

963.0

28.5

[21]

T Cell Signal Trans. Molecule

1D4T

51.0

66.7

64.08

84.5

912.0

  29.4

[21]

D-maltodextrin-binding protein

1DMB

30.1

66.4

62.61

76.8

2599.2

124.2

[21]

Thioredoxin - Reduced (Human)

1ERT

37.1

77.7

72.73

99.0

788.0

24.0

[21]

Phosphocarrier protein III (E.coli)

1F3G

54.7

50.7

51.45

83.3

1035.0

25.5

[21]

Carbonic Anhydrase I (Human)

1HCB

53.4

59.7

53.59

97.9

1757.4

64.2

[21]

HIV Protease

1HVR

69.2

71.1

65.56

83.3

642.0

12.3

[21]

Fatty acid binding protein (Rat)

1ICM

62.6

67.2

70.4

100.0

  954.0

  29.6

[21]

IIb Cellobiose (E. coli)

1IIBB

28.2

75.3

79

89.2

819.0

  23.5

4084

Nuclear riboprotein A1 (Human)

1L3K

50.0

60.2

60.71

60.7

  600.00

  21.2

5182

Glur2 ligand binding core (Rat)

1M5E

36.0

71.1

71.71

95.2

1942.0

  69.1

[21]

Thiol Ester Dehydrase (E.coli)

1MKA

53.1

69.9

65.03

95.1

1006.8

33.9

[21]

Plastocyanin (Poplar)

1PLC

65.7

62.9

61.75

91.8

  953.20

  29.9

[21]

ColE1 Repressor protein (E.coli)

1ROP

0.0

93.9

93.75

91.7

381.0

  11.4

[21]

Staphylococcal Nuclease

1SNC

41.7

67.2

67.8

100.0

832.8

27.6

[21]

Troponin C – N domain (Chicken)

1TOP

10.6

77.4

82.91

94.2

 213.80

37.2

[21]

Ubiquitin (Human)

1UBQ

52.8

78.9

78.57

85.7

  571.80

22.2

[21]

Histidine-containing Phosphotransfer Domain of Arcb

2A0B

1.7

91.4

90.68

97.5

  967.80

       11.9

[21]

Alpha-lytic protease

2ALP

57.6

50.9

55.49

98.9

  456.00

  12.9

[21]

Cyclophilin A (Human)

2CPL

43.5

58.8

57.5

97.5

1404.0

41.1

[21]

Ribonuclease H (E.coli)

2RN2

39.4

66.0

66.01

98.7

1212.0

37.5

[46]

Thioredoxin - Reduced (Human)

2TRX

39.8

71.7

72.64

90.6

1279.2

38.1

[21]

Cyanovirin-N (N.ellipsosporum)

3EZM

62.9

59.8

51.72

98.9

 808.80

  25.1

[21]

Lysozyme (Chicken)

3LZM

14.0

77.2

77.16

97.5

619.8

19.8

[21]

Interleukin 1beta (Human)

4I1B

76.0

55.7

56

90.4

1293.00

39.2

[21]

Calbindin D9K, minor A form (Pig)

4ICB

13.2

79.4

81.82

78.8

795.0

29.1

[21]

Pancreatic Trypsin Inhibitor (Cow)

5PTI

43.9

66.1

56.36

94.6

496.2

15.0

 

 

Average

41.65

70.1

68.2

90.3

1037.32

33.02

 


T - shifts were taken from TALOS database (Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.) and re-referenced with SHIFTCOR
D - shifts were taken from Chandrasekhar K, Campbell AP, Jeng MF, Holmgren A, Dyson HJ. J. Biomol.NMR.1994; 4: 411-32.

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