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Table 4 Comparison of accuracy of all atom modelling

From: Rapper tk: a versatile engine for discrete restraint-based conformational sampling of macromolecules

 

RAPPER

Rappertk

Rapper tk Guided

PDB ID

MCa

AAb

χ 1 c

χ 1,2 d

MCa

AAb

χ 1 c

χ 1,2 d

MCa

AAb

χ 1 c

χ 1,2 d

1cem

0.69

1.06

38.6

36.5

0.69

1.06

38.9

37.2

0.61

0.97

38.7

37.0

1nif

0.71

1.10

40.4

42.7

0.71

1.09

39.6

42.4

0.68

1.04

39.8

42.5

1php

0.7

1.07

39.4

41.1

0.70

1.07

40.1

41.4

0.63

0.99

39.8

41.9

3app

0.71

1.08

46.1

53.1

0.71

1.08

46.4

53.4

0.66

1.00

44.3

52.1

3pte

0.71

1.07

44.0

39.7

0.71

1.07

42.8

39.8

0.65

0.98

43.1

38.9

4enl

0.71

1.06

42.2

39.4

0.71

1.06

42.4

39.3

0.64

0.98

41.9

39.4

5cpa

0.73

1.13

44.74

48.3

0.72

1.12

43.6

48.1

0.65

1.04

42.9

47.6

8abp

0.71

1.10

41.6

41.9

0.72

1.10

40.5

41.7

0.63

1.01

41.2

41.3

8tln:E

0.71

1.07

43.5

39.1

0.7

1.06

43.4

38.6

0.64

0.98

42.3

38.1

  1. aAverage main chain RMSD (Å) of 50 models for each protein, averaged over all proteins in target set.
  2. bAverage all atom RMSD (Å) of 50 models for each protein, averaged over all proteins in target set.
  3. cPercentage of side chains with χ1 > 40° of the equivalent χ1 in the crystal structure, averaged over all proteins in target set.
  4. dPercentage of side chains with χ1,2 > 40° of the equivalent χ1,2 in the crystal structure, averaged over all proteins in target set.
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BMC Structural Biology

ISSN: 1472-6807

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