Table 4b: Comparison of DIAL4 domain boundary definitions with those given by Crystallographers, DALI and Protein Domain Parser for the 55 protein dataset (Jones et al., 1998).

PDB CODE

DIAL4

Crystallographer's

DALI

Protein Domain Parser

No of domains

Boundary

Boundary

Overlap Score

Boundary

Overlap Score

Boundary

Overlap Score

1atnA

4

0-31;78-135;337-372

32-37

181-272

136-180;273-336

1-32;70-144;338-372

33-69

145-180;270-337

181-269

94.08

3-147;336-372

148-185;257-335

186-256

****

0-33;69-137;339-372

34-68

138-184;260-338

185-259

90.88

1ezm-

2

1-149

150-298

1-134;

135-298

94.96

1-133

134-296

99.66

1-133

134-298

94.63

1fnr-

2

19-151

152-314

19-161

162-314

96.62

19-152

153-314

99.66

19-159

160-314

97.62

1gpb-

2

19-481;813-841

482-812

19-489

490-841

95.50

65-165;190-487;692-702;810-834

713-776

28-64;180-189

488-541

542-691;703-712;777-809

****

19-483;816-841

484-815

99.51

1lap-

2

1-166

167-484

1-150

171-484

95.86

1-165;456-466

166-455;467-484

72.52

1-173

174-484

98.55

1pfkA

2

0-138;258-319

139-255

0-138;251-301

139-250;302-319

92.18

1-141;254-303

143-254

93.43

0-142;252-306

143-251;307-319

94.64

1phh-

3

1-46;100-180;269-343

181-268;344-396

47-99

1-175

176-290

291-394

52.79

1-72;95-180;269-344;382-391

181-268;345-356

73-94;357-381

81.72

1-181;268-394

182-267

****

1rhd-

2

1-155

156-293

1-158

159-293

98.97

3-156

157-293

98.98

1-157

158-293

99.31

1vsgA

2

1-20;87-251

23-85;252-362

1-29;92-252

42-75;266-362

71.54

34-85;256-362

1-33;86-255

95.03

1-35;82-261

36-81;262-362

96.07

1wsyB

2

3-37;88-185

39-87;186-394

9-52;86-204

53-85;205-393

90.06

3-394

****

3-394

****

3cd4-

2

1-99

100-178

1-98

99-178

99.43

1-98

99-178

99.43

1-97

98-178

98.87

3gapA

2

7-126

127-206

7-129

139-208

97.40

Not present

Not present

7-130

131-206

98.49

3grs-

3

18-61;96-160;291-363

63-95;161-290

363-470

18-157;294-364

158-293

365-478

91.10

18-60;105-162;290-361

93-104;163-224;242-289

225-241

****

18-64;106-159;291-364

65-105

160-290

365-478

****

3pgk-

2

1-183

185-415

1-185;403-415

200-392

96.41

5-188;404-413

189-403

95.39

0-188;402-415

189-401

95.19

4gcr-

2

1-84

85-174

1-83

84-174

99.42

1-83

84-174

99.42

1-81

82-174

98.27

8acn-

2

2-527

528-754

2-200

201-317

320-513

538-754

****

71-144;514-519

530-753

34-70;145-200

212-226;318-502

201-211;221-317

****

2-530

531-754

99.60

8adh-

2

1-174;317-373

175-316

1-175;319-374

176-318

98.93

1-178;318-374

179-317

98.35

1-177;322-374

178-321

97.59

8atcB

2

8-100

101-153

8-97

101-152

97.93

8-97

98-153

97.94

8-100

101-153

100

2cyp-

2

2-146;270-294

147-252

3-145;266-294

164-265

91.83

4-294

****

2-294

****

5fbpA

2

6-110

121-335

6-201

202-335

72.42

9-51

72-117;137-161

118-136;162-201

202-335

****

6-200

201-335

72.72

8atcA

2

1-134

135-304

1-137;288-310

144-283

88.38

1-136;292-310

137-291

93.22

1-144;287-310

145-286

89.03

2pmgA

4

1-203

204-303;390-419

305-389

421-561

1-188

192-315

325-403

408-561

90.19

1-190

191-302;388-403

327-387

421-561

90.01

1-194

210-302

195-209;303-415

416-561

96.25

1bbhA

1

1-131

1-131

100

1-131

100

1-131

100

1gmpA

1

1-96

1-96

100

1-96

100

1-96

100

1gox-

1

0-359

0-359

100

0-359

100

0-359

100

1rcb-

1

1-129

1-129

100

1-129

100

1-129

100

1wsyA

1

1-267

1-267

100

1-267

100

1-267

100

2ccyA

1

2-128

2-128

100

2-128

100

2-128

100

2had-

1

1-310

1-155;230-310

156-229

****

1-310

100

1-310

100

2stv-

1

12-195

12-195

100

12-195

100

12-195

100

3chy-

1

2-129

2-129

100

2-129

100

2-129

100

3dfr-

1

1-162

1-162

100

1-162

100

1-162

100

1rbb-

1

1-175

1-175

100

1-175

100

1-175

100

1brd-

1

8-226

8-226

100

Not present

Not present

8-226

100

1tlk-

1

33-135

33-135

100

33-135

100

33-135

100

1fxiA

1

1-96

1-96

100

1-96

100

1-96

100

1ofv-

1

1-169

1-169

100

1-169

100

1-169

100

1ppn-

1

1-212

1-10;112-202

21-111;209-212

****

1-212

100

1-212

100

2azaA

1

1-129

1-129

100

1-129

100

1-129

100

1tie-

1

1-170

1-170

100

1-170

100

1-170

100

1snc-

1

7-141

7-141

100

7-141

100

7-141

100

1aak-

1

2-178

2-178

100

2-178

100

2-178

100

1bbpA

1

31-291

31-291

100

31-291

100

31-291

100

4blmA

1

1-166

1-166

100

1-166

100

1-166

100

1sgt-

1

16-245

22-123;234-245

129-233

****

16-245

100

16-245

100

5p2l-

1

1-166

1-166

100

1-166

100

1-166

100

3cla-

1

6-219

6-219

100

6-219

100

6-219

100

1ula-

1

1-289

1-289

100

1-289

100

1-289

100

1gmfA

1

4-124

4-124

100

4-124

100

4-124

100

1ace-

1

4-534

4-354

100

5-335;395-534

336-394

****

4-315

332-394;526-535

316-331;395-525

****

1gky-

1

0-186

0-186

100

1-32;92-186

33-91

****

1-31;88-186

32-87

****

1pyp-

1

1-280

1-280

100

32-57;87-96;119-217

2-31;58-69;238-252

97-118;218-237

****

1-280

100

2rn2-

1

1-155

1-155

100

1-155

100

1-155

100

1rveA

1

2-245

2-245

100

2-18;36-139;165-205

19-35;140-164

206-245

****

2-245

100

2tmvP

1

1-154

1-154

100

14-54;69-138

5-11;55-68;139-153

****

18-52;71-136

100

Average Overlap Score

96.2

98.01

98.31

# Where the number of domains were different from that suggested by DIAL. Domain boundaries for such cases are provided in italics. Exact boundary comparisons were not possible and scores are marked as ‘****’.

Overlap Score Calculation:

Residue no  1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17
A           1   1   1   1   1   1   1   1   1   1   2   2   2   2   2   2   2
B           1   1   1   1   1   1   1   1   2   2   2   2   2   2   2   2   2


   A1*    A2* 
B1*  8     0
B2*  2     7

A1*, A2*, B1* and B2* are the two domains of chain A and B respectively.

Overlap score=((8+7)/17)*100=88.23