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Table 3 Number of clusters as a function of the simulation temperature

From: Can molecular dynamics simulations help in discriminating correct from erroneous protein 3D models?

Class

Model

300 K

350 K

400 K

all-α

NS0

1

1

70

 

ST1

2

16

192

 

ST2

4

193

711

 

ST3

54

377

879

 

DT1

1045

1059

1091

 

DT2

98

931

1060

all-β

NS0

1

1

1

 

ST1

1

1

5

 

ST2

1

1

7

 

DT1b

2

23

152

 

DT1a

109

34

298

 

DT2

1

18

41

αβ

NS0

1

1

1

 

ST1

2

2

2

 

ST2

9

29

29

 

ST3

10

41

199

 

DT1

495

198

383

 

DT2

55

65

225