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Table 5 Global score based on residue surface areas

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

Class

Model

S t = 0

S ¯ MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacPC6xNi=xH8viVGI8Gi=hEeeu0xXdbba9frFj0xb9qqpG0dXdb9aspeI8k8fiI+fsY=rqGqVepae9pg0db9vqaiVgFr0xfr=xfr=xc9adbaqaaeGacaGaaiaabeqaaeqabiWaaaGcbaGafm4uamLbaebaaaa@2D1A@ 300 K

S ¯ MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacPC6xNi=xH8viVGI8Gi=hEeeu0xXdbba9frFj0xb9qqpG0dXdb9aspeI8k8fiI+fsY=rqGqVepae9pg0db9vqaiVgFr0xfr=xfr=xc9adbaqaaeGacaGaaiaabeqaaeqabiWaaaGcbaGafm4uamLbaebaaaa@2D1A@ 350 K

S ¯ MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacPC6xNi=xH8viVGI8Gi=hEeeu0xXdbba9frFj0xb9qqpG0dXdb9aspeI8k8fiI+fsY=rqGqVepae9pg0db9vqaiVgFr0xfr=xfr=xc9adbaqaaeGacaGaaiaabeqaaeqabiWaaaGcbaGafm4uamLbaebaaaa@2D1A@ 400 K

all-α

NS0

-0.96

-0.87

-0.87

-0.91

 

ST1

-1.12

-0.86

-0.89

-0.92

 

ST2

-1.42

-1.16

-1.27

-1.23

 

ST3

-1.70

-1.49

-1.52

-1.44

 

DT1

-1.73

-1.48

-1.34

-1.37

 

DT2

-1.88

-1.68

-1.66

-1.67

all-β

NS0

-1.17

-1.04

-1.07

-1.07

 

ST1

-1.29

-1.13

-1.13

-1.12

 

ST2

-1.47

-1.22

-1.19

-1.23

 

DT1b

-1.77

-1.66

-1.54

-1.41

 

DT1a

-1.92

-1.68

-1.66

-1.61

 

DT2

-1.87

-1.65

-1.63

-1.55

αβ

NS0

-1.11

-1.00

-1.03

-1.06

 

ST1

-1.25

-1.14

-1.13

-1.10

 

ST2

-1.60

-1.47

-1.45

-1.44

 

ST3

-1.73

-1.47

-1.39

-1.43

 

DT1

-1.75

-1.49

-1.42

-1.44

 

DT2

-1.68

-1.58

-1.45

-1.50

  1. St = 0is the score of the initial conformation; S ¯ MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacPC6xNi=xH8viVGI8Gi=hEeeu0xXdbba9frFj0xb9qqpG0dXdb9aspeI8k8fiI+fsY=rqGqVepae9pg0db9vqaiVgFr0xfr=xfr=xc9adbaqaaeGacaGaaiaabeqaaeqabiWaaaGcbaGafm4uamLbaebaaaa@2D1A@ is the mean score averaged over trajectories, for different temperatures. Scores in italic are beyond the value characteristic of the 1% confidence interval (see Additional file 1, Table S3)