Proteins calculated using PM7

(Home - PM7 Accuracy - Manual - PM6 Proteins)

 

       

No.

 

PDB

 

Unconstrained

 

3 Kcal/2 constraint

 

10 Kcal/2 constraint

No Protein

Atoms

ΔHf

RMS

ΔHf

RMS

ΔHf

RMS

ΔHf

1  

Ranasmurfin (2VH3)

 

4093

 

-30950.8

1.034

-34467.8

 

0.136

-32862.4

 

0.068

-32787.8

2  

1-Myoglobin (1M6C)

 

3310

 

-30191.1

0.629

-33649.7

 

0.160

-32097.0

 

0.080

-31752.0

3  

1PE6

 

3917

 

-28555.8

1.227

-32024.8

 

0.146

-30584.1

 

0.077

-30258.4

4  

1RKW

 

12791

 

-69806.7

1.017

-79145.8

 

0.131

-75879.0

 

0.070

-75536.3

5  

1RPW

 

6326

 

-32257.5

1.305

-36957.5

 

0.126

-35216.0

 

0.067

-34831.2

6  

1SDX

 

6081

 

-43190.3

1.312

-49132.1

 

0.158

-48214.3

 

0.073

-46237.4

7  

1T32

 

4507

 

-34884.6

1.017

-38799.3

 

0.154

-37382.1

 

0.097

-38097.6

8  

2W1R

 

2050

 

-16603.4

1.024

-17884.3

 

0.122

-17314.0

 

0.060

-17192.8

9  

2ZPT

 

6211

 

-56056.6

1.041

-59892.1

 

0.133

-58212.7

 

0.066

-58103.3

10  

Acyltransferase (1LXA)

 

3946

 

-18206.7

0.677

-21357.5

 

0.140

-20495.6

 

0.081

-20219.4

11  

Alpha tropomyosin (2B9C)

 

5483

 

-42178.0

1.674

-51616.1

 

0.176

-48738.5

 

0.100

-48153.2

12  

Aromatase (3EQM)

 

7637

 

-37225.4

1.099

-41638.3

 

0.107

-40011.8

 

0.055

-39669.5

13  

Azurin Iso-2 (1CUO)

 

2146

 

-16173.3

0.810

-16699.9

 

0.081

-16416.5

 

0.064

-15898.7

14  

Bacteriochlorophyll (4BCL)

 

6735

 

-33685.3

1.180

-40750.9

 

0.141

-39133.8

 

0.091

-38668.5

15  

Bacteriorhodopsin (1AP9)

 

3579

 

-16489.9

0.658

-18766.4

 

0.121

-17662.5

 

0.059

-17462.8

16  

Bacteriorhodopsin (1AT9)

 

3667

 

-15311.5

0.839

-17937.1

 

0.108

-17553.6

 

0.067

-16501.0

17  

Bacteriorhodopsin (1BRX)

 

3352

 

-15977.9

0.693

-16483.4

 

0.058

-16219.4

 

0.031

-16178.4

18  

Bacteriorhodopsin (1C3W)

 

3618

 

-16936.1

0.945

-18875.9

 

0.107

-18270.7

 

0.061

-18073.8

19  

Bacteriorhodopsin (2AT9)

 

3557

 

-14402.3

1.018

-17487.5

 

0.154

-16181.8

 

0.080

-15871.4

20  

Barnase (1RNB)

 

2066

 

-16741.9

0.465

-17204.0

 

0.083

-16982.0

 

0.044

-16929.2

21  

Calmodulin (2F3Y)

 

3599

 

-37876.4

1.094

-40647.9

 

0.150

-39366.5

 

0.078

-39029.4

22  

Carbonic anhydrase (1RZE)

 

4728

 

-33538.6

1.325

-38217.1

 

0.132

-36785.4

 

0.081

-36725.1

23  

Cardioactive peptide (1V46)(Model 1)

 

123

 

-256.0

1.720

-413.7

 

0.164

-342.8

 

0.089

-330.2

24  

Cardioactive peptide (1V46)(Model 10)

 

123

 

-260.5

1.659

-412.4

 

0.163

-345.7

 

0.090

-333.7

25  

Cardioactive peptide (1V46)(Model 2)

 

123

 

-214.2

1.626

-413.1

 

0.165

-345.4

 

0.091

-333.1

26  

Cardioactive peptide (1V46)(Model 3)

 

123

 

-253.6

2.016

-420.4

 

0.167

-343.4

 

0.093

-331.2

27  

Cardioactive peptide (1V46)(Model 4)

 

123

 

-255.5

2.277

-425.6

 

0.161

-342.6

 

0.091

-331.5

28  

Cardioactive peptide (1V46)(Model 5)

 

123

 

-255.8

1.613

-412.8

 

0.169

-343.0

 

0.092

-329.0

29  

Cardioactive peptide (1V46)(Model 6)

 

123

 

-261.5

1.641

-413.1

 

0.159

-346.8

 

0.091

-335.1

30  

Cardioactive peptide (1V46)(Model 7)

 

123

 

-254.3

2.133

-424.5

 

0.166

-341.2

 

0.091

-328.7

31  

Cardioactive peptide (1V46)(Model 8)

 

123

 

-261.5

1.553

-411.5

 

0.160

-345.6

 

0.090

-334.1

32  

Cardioactive peptide (1V46)(Model 9)

 

123

 

-250.0

1.893

-418.0

 

0.166

-338.1

 

0.092

-325.7

33  

Chymotrypsin (1AFQ)

 

3968

 

-27746.8

1.264

-29852.5

 

0.109

-28954.3

 

0.055

-28768.7

34  

Cobalamin (2V3N)

 

7121

 

-46263.0

0.746

-48230.9

 

0.074

-47477.3

 

0.058

-48918.1

35  

Coiled Coil (2V66)

 

7745

 

-47047.8

1.290

-53768.3

 

0.132

-51479.4

 

0.069

-50927.2

36  

Collagen-like peptide (1A3J)

 

365

 

-3662.1

1.315

-3932.6

 

0.150

-3821.5

 

0.065

-3782.4

37  

Collagen-like peptide (1CAG)

 

1384

 

-11534.8

1.233

-12659.6

 

0.150

-12149.7

 

0.074

-12022.7

38  

Collagenase (1NQJ)

 

4537

 

-44828.5

1.035

-48823.1

 

0.157

-47157.9

 

0.079

-46707.1

39  

Crambin (1CBN)

 

641

 

-2938.2

0.985

-3543.6

 

0.172

-3200.0

 

0.115

-3140.9

40  

Crambin (solvated) (1CBN)

 

641

 

-3261.3

0.728

-3537.1

 

0.139

-3453.8

 

0.109

-3431.4

41  

Crambin (1EJG)

 

637

 

-2938.2

0.840

-3195.0

 

0.138

-3289.2

 

0.072

-3248.3

42  

Crambin (solvated) (1EJG)

 

637

 

-3261.3

0.659

-3652.3

 

0.098

-3581.7

 

0.064

-3565.3

43  

Crystallin (1AMM)

 

4020

 

-40245.7

1.260

-44005.9

 

0.157

-42422.8

 

0.079

-42019.7

44  

Cytochrome-P450 (1DT6)

 

7309

 

-32570.8

1.675

-38704.9

 

0.137

-36191.7

 

0.070

-35665.1

45  

Cytochrome C (1CPQ)

 

2245

 

-17830.4

1.060

-19450.8

 

0.124

-18756.5

 

0.061

-18623.1

46  

DMSO Reductase (1DMS)

 

12837

 

-85677.1

0.924

-92710.8

 

0.104

-90367.6

 

0.055

-89811.7

47  

Flavodoxin (1RCF)

 

3550

 

-34689.8

1.092

-38153.2

 

0.159

-36735.9

 

0.077

-36371.5

48  

Green fluorescent protein (1EMA)

 

3783

 

-23540.4

0.966

-26254.2

 

0.126

-25381.9

 

0.067

-25132.4

49  

Hemoglobin (1GZX)

 

9687

 

-50919.5

1.092

-62127.6

 

0.160

-59627.3

 

0.097

-58753.4

50  

Hen egg white lysozyme (193L)

 

2388

 

-18176.6

1.321

-19774.2

 

0.129

-18923.9

 

0.062

-18765.4

51  

Hen egg white lysozyme (1IEE)

 

2590

 

-24031.9

1.095

-26167.7

 

0.154

-25234.6

 

0.073

-24992.6

52  

Hexokinase with glucose (2E2O)

 

5717

 

-50207.0

0.939

-53490.9

 

0.119

-52031.5

 

0.061

-51677.7

53  

Hydrophobin HFBII (2B97)

 

981

 

-4333.1

1.345

-5008.5

 

0.135

-4896.7

 

0.065

-4827.2

54  

Importin (1QGK)

 

14566

 

-76480.5

1.300

-85424.7

 

0.116

-82413.6

 

0.060

-81028.2

55  

Metalloprotein (1J3F)

 

3349

 

-31191.6

1.106

-34056.4

 

0.136

-32919.0

 

0.072

-32716.2

56  

Outer surface protein (2G8C)

 

4934

 

-49851.9

1.148

-53222.8

 

0.133

-51758.7

 

0.069

-51414.9

57  

Oxalate decarboxylase (1UW8)

 

7131

 

-55048.6

1.008

-60235.4

 

0.167

-61685.1

 

0.069

-58684.5

58  

Pancreatic trypsin inhibitor (1G6X)

 

1455

 

-17397.1

0.988

-18344.4

 

0.134

-17981.2

 

0.072

-17884.9

59  

Papain (9PAP)

 

3996

 

-29560.2

1.082

-33772.6

 

0.155

-32410.9

 

0.083

-32056.0

60  

Pheromone binding protein (1DQE)

 

2448

 

-17288.7

1.383

-19435.3

 

0.137

-18622.7

 

0.075

-18453.9

61  

Potassium channel (1JVM)

 

5749

 

-25427.3

1.130

-28706.7

 

0.131

-27559.4

 

0.067

-27199.3

62  

Ranasmurfin (2VH3)

 

4093

 

-30950.8

1.034

-34467.8

 

0.136

-32862.4

 

0.068

-32787.8

63  

Rho (1A62)

 

2328

 

-17786.9

1.198

-19397.4

 

0.129

-18699.7

 

0.065

-18539.4

64  

Ricin A plus B (2AAI)

 

8905

 

-48995.2

1.489

-58484.7

 

0.234

-54883.8

 

0.127

-53104.6

65  

Silk (Poly-(Gly-Ala))

 

136

 

-926.2

0.206

-946.0

 

0.071

-941.6

 

0.026

-937.0

66  

Spectrin (2SPC)

 

3890

 

-27033.8

1.594

-31050.4

 

0.154

-29481.7

 

0.082

-29159.8

67  

Tetrameric beta-beta-alpha mini-protein (1SN9)

 

1822

 

-14047.6

1.395

-16236.5

 

0.163

-15460.5

 

0.087

-15282.2

68  

Thermal Hysteresis Protein Isoform YL-1 (1EZG)

 

2064

 

-12891.6

1.181

-14051.2

 

0.092

-13625.5

 

0.054

-13561.0

69  

Triose Phosphate Isomerase (1WYI)

 

8876

 

-69418.8

0.927

-75718.7

 

0.145

-72996.2

 

0.072

-72247.3

70  

Triose Phosphate Isomerase (2YPI)

 

3778

 

-14788.0

1.735

-21210.2

 

0.194

-19840.2

 

0.111

-19337.3

71  

Turkey egg white lysozyme (135L)

 

2283

 

-16862.8

0.842

-18484.3

 

0.153

-18454.9

 

0.065

-17756.3

72  

Zinc-bundle (1EF4)

 

889

 

-2955.4

2.041

-4328.7

 

0.186

-3421.5

 

0.078

-3482.3

73  

Zinc endoprotease (1C7K)

 

2278

 

-18273.6

1.182

-20037.6

 

0.135

-19290.2

 

0.067

-19123.7

74  

Zinc Finger (2J7J)

 

1765

 

-14665.5

1.094

-15823.5

 

0.125

-15282.6

 

0.061

-15175.6

75  

Zinc Finger (3ZNF)

 

494

 

-1600.8

1.953

-2115.0

 

0.123

-1959.2

 

0.068

-1927.2