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Table 7 The evaluation of refined models by 4 onlien programs

From: First report on molecular docking analysis and drug resistance substitutions to approved HCV NS5A and NS5B inhibitors amongst Iranian patients

HCV

Models

Qmean

ERRAT

ProSA-web

Rampage (Ramachandran plot)

NS5A 1a

1

 − 0.89

72.8507

 − 4.72

94.3%, 3.5%

2

 − 0.45

69.6833

 − 4.58

93.8%, 3.5%

3

 − 1.12

68.1818

 − 4.49

93.8%, 4.0%

4

 − 0.9

69.6833

 − 4.7

93.8%, 3.5%

5

 − 0.59

70.5882

 −  4.75

93.8%, 4.4%

Itasser

 − 4.64

78.733

NA

85.9%, 8.4%

NS5A 3a

1

 − 4.45

85.3333

 − 4.48

88.7%, 6.5%

2

 − 4.09

85.7143

 − 4.55

89.2%, 6.5%

3

 − 4.46

87.0536

 − 4.58

88.7%, 6.9%

4

 − 3.98

80.8889

 − 4.43

88.7%, 6.9%

5

 − 4.34

86.6667

 − 4.53

89.2%, 6.5%

Itasser

 − 6.56

86.2222

na

73.2%, 18.2%

NS5B 1a

1

 − 1.06

83.737

 − 10.85

96.3%, 3.2%

2

 − 1.14

88

 − 10.85

96.1%, 3.2%

3

 − 1.19

89.4464

 − 10.79

95.6%, 4.1%

4

 − 1.16

85.4167

 − 10.71

96.1%, 3.2%

5

 − 1.10

86.8284

 − 10.82

95.6%, 3.7%

Itasser

 − 4.17

93.1389

na

87.3%, 8.7%

NS5B 3a

1

 − 1.26

86.7241

 − 11.59

96.6%, 2.9%

2

 − 1.06

92.6117

 − 11.35

96.6%, 3.1%

3

 − 1.37

91.7241

 − 11.49

96.6%,2.9%

4

 − 1.25

93.1271

 − 11.38

96.%, 2.7%

5

 − 1.11

92.4138

 − 11.23

96.8%,2.7%

Itasser

 − 4.29

94.3493

na

87.1%, 9.3%

  1. The final selcetd models are bolded