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Table 2 Analysis of the rmsd from ideal geometry, 3D Profile, and G-factor.

From: Molecular models of NS3 protease variants of the Hepatitis C virus

Genbank access code

Residue Range

rmsd

3D Profile*

G-factor**

  

Bond Lengths (Å)

Bond Angles (°)

Total Score

Sideal Score

Torsion Angles

Covalent Geometry

AJ238800

1027 – 1657

0.020

2.171

299.14

1.03S

0.01

-0.17

AJ238799

1027 – 1657

0.021

2.425

166.68

0.58S

0.07

-0.21

AF139594

1028 – 1658

0.021

2.193

152.89

0.53S

0.09

-0.20

D17763

1033 – 1663

0.019

2.143

290.96

1.00S

0.03

-0.14

AF054247

1027 – 1657

0.020

2.162

288.28

1.00S

0.07

-0.16

AF054248

1027 – 1657

0.020

2.194

292.48

1.01S

0.01

-0.19

AF054249

1027 – 1657

0.020

2.207

290.64

1.00S

0.05

-0.18

D50409

1031 – 1661

0.020

2.188

287.09

0.99S

0.02

-0.17

D84262

1032 – 1662

0.020

2.181

276.59

0.95S

0.06

-0.17

D84263

1025 – 1665

0.020

2.173

283.17

0.98S

0.01

-0.16

D84264

1029 – 1659

0.020

2.174

296.59

1.02S

0.03

-0.15

D84265

1027 – 1657

0.020

2.155

277.67

0.96S

0.02

-0.15

D10749

1027 – 1657

0.020

2.589

287.57

0.99S

0.02

-0.16

D13558

1027 – 1657

0.020

2.157

280.60

0.97S

0.04

-0.15

D14853

1027 – 1657

0.020

2.168

274.13

0.95S

0.02

-0.16

D00944

1031 – 1661

0.020

2.149

287.90

0.99S

0.40

-0.15

D10988

1031 – 1661

0.020

2.171

287.55

0.99S

0.02

-0.16

AF046866

1033 – 1663

0.020

2.957

281.07

0.97S

0.03

-0.16

D49374

1035 – 1665

0.020

2.163

292.23

1.01S

0.02

-0.15

Y11604

1027 – 1657

0.020

2.382

281.93

0.97S

0.02

-0.16

Y13184

1028 – 1658

0.020

2.166

296.66

1.02S

0.02

-0.15

Y12083

1031 – 1661

0.020

2.271

290.58

1.00S

-0.01

-0.21

U16362

1027 – 1657

0.020

2.186

280.49

0.97S

0.01

-0.16

U45476

1027 – 1657

0.020

2.398

281.26

0.97S

0.03

-0.17

AJ000009

1027 – 1657

0.020

2.168

290.86

1.00S

0.03

-0.16

M67463

1027 – 1657

0.020

2.139

281.59

0.97S

0.03

-0.14

D63822

1031 – 1661

0.020

2.385

284.43

0.98S

0.03

-0.16

D63821

1032 – 1662

0.020

2.420

269.09

0.93S

0.03

-0.18

D14484

1027 – 1657

0.020

2.234

285.83

0.99S

0.00

-0.19

D11168

1027 – 1657

0.020

2.160

289.57

1.00S

0.04

-0.15

D11355

1027 – 1657

0.020

2.148

306.49

1.06

0.04

-0.14

D50480

1027 – 1657

0.020

2.123

291.79

1.01S

0.05

-0.13

D50481

1027 – 1657

0.020

2.151

277.60

0.96S

0.06

-0.14

D50482

1027 – 1657

0.020

2.172

284.69

0.98S

0.03

-0.16

D50483

1027 – 1657

0.020

2.149

291.04

1.00S

0.06

-0.15

D50485

1027 – 1657

0.020

2.138

293.16

1.01S

0.03

-0.14

D50484

1027 – 1657

0.020

2.204

289.47

1.00S

0.00

-0.17

D28917

1033 – 1663

0.020

2.221

295.32

1.02S

0.03

-0.19

D30613

1027 – 1657

0.020

2.248

282.94

0.98S

0.02

-0.20

D10934

1027 – 1657

0.020

2.434

289.87

1.00S

0.00

-0.18

AF207762

1027 – 1657

0.020

2.367

308.61

1.07S

0.04

-0.15

  1. *Total Score: is the sum of the 3D-1D scores (statistical preferences) of each residue present in protein. Ideal Score: Sideal = exp(-0.83+1.008xln(L)); where L is number of amino acids.
  2. Sideal Score: is compatibility of the sequence with their 3D structure. It is obtained Total Score / Ideal Score. Sideal Score above 0.45Sideal.
  3. **Ideally, scores should be above -0.5. Values below -1.0 may need investigation.