General performance of SEA incorporating different local structure diversities

subset

measures

CE

SEA_true

SEA_c30

SEA_c10

SEA_c5

SEA_1d

BLAST

ALIGN

FFAS

Family

(409 pairs)

average-shift

 

 

0.61

0.56

0.56

0.54

0.49

0.44

0.48

0.49

shift>0.9

 

73

69

63

56

47

51

60

43

shift>0.7

 

207

199

192

183

152

146

165

161

shift>0.5

 

282

260

259

251

215

197

228

227

RMSD£3.0

 

257

95

82

82

76

63

77

54

40

RMSD£5.0

397

237

184

171

177

147

157

138

118

RMSD£8.0

408

294

248

249

249

231

196

206

194

all

409

345

404

398

368

366

232

372

409

Superfamily

(225 pairs)

average-shift

 

 

0.27

0.12

0.12

0.12

0.08

0.09

0.06

0.07

shift>0.9

 

3

3

3

2

0

1

2

1

shift>0.7

 

17

8

9

7

4

10

9

7

shift>0.5

 

54

26

23

21

17

18

18

17

RMSD£3.0

 

55

12

6

6

7

6

8

3

1

RMSD£5.0

160

44

16

18

18

11

18

11

1

RMSD£8.0

163

69

37

34

41

28

23

22

15

all

166

128

217

204

181

177

41

149

225

 

Two subsets of the benchmark (family-level subset and superfamily-level subset) are compared with SEA_c30, SEA_c10, SEA_c5, SEA_true, SEA_1d, and other programs: CE (structural alignment), BLAST, ALIGN and FFAS (profile-profile alignment). The alignment quality is evaluated by the shift score and RMSD. The average-shift row lists the shift score averaged over all the alignments of the each subset by different programs. The number of alignments with shift score > 0.9, > 0.7 and > 0.5, RMSD £ 3.0, £ 5.0 and £ 8.0 in each subset are also listed in rows. The counting according to RMSD requires the length of the alignment is no short than half of its corresponding structural alignment. The all row lists the number of alignments with alignment length no short than half of the structural alignments in each subset. As the structural alignments from CE are used as reference alignments for shift score calculation, its evaluation by shift score is meaningless and the corresponding numbers are blanked out.