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Table 2 Various Scores for Comparison

From: SABERTOOTH: protein structural alignment based on a vectorial structure representation

 

SABERT. (EC profile)

SABERT. (revised PE)

MAMMOTH

MAMMOTH mult

DaliLite

TM-align

CE

SHEBA

rPSI/%

67.8 ± 1.1

67.0 ± 1.1

51.3 ± 0.9

71.0 ± 1.2

73.6 ± 1.2

71.5 ± 1.2

64.2 ± 1.1

65.1 ± 1.1

PSI/%

68.2 ± 1.1

67.4 ± 1.1

51.3 ± 0.9

71.6 ± 1.2

73.7 ± 1.2

75.3 ± 1.3

64.6 ± 1.1

73.5 ± 1.2

cRMSD/Å

5.75 ± 0.10

5.84 ± 0.10

8.82 ± 0.15

5.63 ± 0.09

4.95 ± 0.08

2.85 ± 0.05

4.15 ± 0.07

5.12 ± 0.09

cRMSD/Å (core only)

1.90 ± 0.03

1.91 ± 0.03

1.91 ± 0.03

1.90 ± 0.03

1.86 ± 0.03

1.84 ± 0.03

1.91 ± 0.03

1.81 ± 0.03

aligned residues

395537

392528

410541

399948

392515

379196

340586

373857

contact overlap

57.3 ± 0.9

56.3 ± 0.9

44.7 ± 0.7

57.8 ± 1.0

61.0 ± 1.0

58.7 ± 1.0

50.3 ± 0.8

54.2 ± 0.9

rseqSim

8.0 ± 0.1

7.3 ± 0.1

-8.8 ± 0.1

6.4 ± 0.1

14.1 ± 0.2

15.4 ± 0.3

9. ± 0.1

15.8 ± 0.2

seqSim

8.1 ± 0.1

7.3 ± 0.1

-8.9 ± 0.1

6.0 ± 0.1

13.5 ± 0.2

11.2 ± 1.0

8.4 ± 0.1

9.4 ± 0.2

alignments rPSI< 40%

268/7.5%

262/7.3%

1014/28.4%

150/4.2%

18/0.5%

56/1.6%

483/13.5%

232/6.5%

  1. Scores for the alignments of the different algorithms for quality assessment and comparison. All values are computed over the test set of 3566 alignments and are weighted by chain length. Shorter chain lengths from all alignments sum up to 434027 amino acids. Error values are shown under condition of statistically independent experiments.
  2. The ranking of the algorithms agrees well over the different scores, even though they describe features on different levels of abstraction from the underlying proteins. Note that the rank correlation coefficient of rPSI with contact overlap is one while it is smaller than one for PSI with contact overlap. This constitutes another argument supporting that the treatment of small aligned fragments is reasonable.