Proteins calculated using PM6

(Home - PM7 Accuracy - Manual - PM7 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)

 

4100

 

-27063.8

0.988

-30022.3

 

0.131

-29448.4

 

0.068

-29175.5

2  

1-Myoglobin (1M6C)

 

3312

 

-29174.8

1.596

-29303.4

 

0.138

-28126.3

 

0.073

-27900.5

3  

1PE6

 

3917

 

-24678.2

0.778

-27561.9

 

0.142

-26720.2

 

0.078

-26440.1

4  

1RKW

 

12791

 

-59340.2

0.794

-68933.0

 

0.133

-66537.9

 

0.073

-65699.3

5  

1RPW

 

6326

 

-27322.7

0.753

-31999.0

 

0.131

-30904.3

 

0.073

-30516.3

6  

1SDX

 

6081

 

-37700.3

0.907

-42782.3

 

0.140

-40816.4

 

0.073

-40359.3

7  

1T32

 

4507

 

-29867.1

1.038

-33624.6

 

0.147

-32466.3

 

0.077

-32103.1

8  

2W1R

 

2050

 

-14609.8

0.991

-15807.6

 

0.111

-15359.1

 

0.057

-15264.9

9  

2ZPT

 

6211

 

-48236.1

0.663

-51319.2

 

0.124

-50664.7

 

0.065

-50306.6

10  

Acyltransferase (1LXA)

 

3946

 

-15266.1

1.062

-18780.7

 

0.148

-17994.2

 

0.088

-17694.3

11  

Alpha tropomyosin (2B9C)

 

5483

 

-36908.8

1.640

-46231.6

 

0.170

-44045.8

 

0.103

-43510.4

12  

Aromatase (3EQM)

 

7637

 

-31474.9

0.681

-35816.2

 

0.108

-34787.1

 

0.059

-34451.6

13  

Azurin Iso-2 (1CUO)

 

2146

 

-13286.8

0.668

-14643.2

 

0.122

-14145.1

 

0.061

-14018.0

14  

Bacteriochlorophyll (4BCL)

 

6735

 

-28575.6

1.016

-35762.7

 

0.154

-34517.9

 

0.093

-33958.9

15  

Bacteriorhodopsin (1AP9)

 

3579

 

-14038.4

1.255

-16204.0

 

0.119

-15448.6

 

0.063

-15266.2

16  

Bacteriorhodopsin (1AT9)

 

3667

 

-12872.6

1.663

-15490.4

 

0.131

-14895.1

 

0.073

-14389.4

17  

Bacteriorhodopsin (1BRX)

 

3352

 

-14146.4

0.611

-14225.9

 

0.024

-14152.6

 

0.014

-14142.8

18  

Bacteriorhodopsin (1C3W)

 

3618

 

-14055.4

0.626

-16323.0

 

0.121

-15710.9

 

0.072

-15531.6

19  

Bacteriorhodopsin (2AT9)

 

3557

 

-12032.6

1.230

-15009.7

 

0.156

-14112.2

 

0.084

-13803.5

20  

Barnase (1RNB)

 

2066

 

-15023.6

0.043

-15026.9

 

0.031

-15025.1

 

0.007

-15026.0

21  

Calmodulin (2F3Y)

 

3599

 

-33025.9

0.934

-35418.4

 

0.134

-34455.6

 

0.065

-34164.3

22  

Carbonic anhydrase (1RZE)

 

4728

 

-28887.2

0.758

-33198.0

 

0.128

-31579.8

 

0.069

-31286.4

23  

Cardioactive peptide (1V46)(Model 1)

 

123

 

-216.3

2.260

-392.8

 

0.172

-315.5

 

0.099

-302.4

24  

Cardioactive peptide (1V46)(Model 10)

 

123

 

-224.4

2.087

-394.8

 

0.172

-319.3

 

0.094

-305.7

25  

Cardioactive peptide (1V46)(Model 2)

 

123

 

-167.8

2.083

-392.3

 

0.171

-316.8

 

0.097

-303.6

26  

Cardioactive peptide (1V46)(Model 3)

 

123

 

-213.5

1.990

-392.3

 

0.177

-316.3

 

0.100

-301.9

27  

Cardioactive peptide (1V46)(Model 4)

 

123

 

-216.4

1.360

-378.2

 

0.173

-315.6

 

0.098

-302.1

28  

Cardioactive peptide (1V46)(Model 5)

 

123

 

-217.3

2.043

-393.3

 

0.173

-315.0

 

0.098

-301.3

29  

Cardioactive peptide (1V46)(Model 6)

 

123

 

-221.9

2.176

-394.2

 

0.174

-319.4

 

0.097

-305.7

30  

Cardioactive peptide (1V46)(Model 7)

 

123

 

-215.7

2.112

-391.5

 

0.172

-313.4

 

0.098

-300.3

31  

Cardioactive peptide (1V46)(Model 8)

 

123

 

-223.7

2.062

-394.7

 

0.172

-319.1

 

0.095

-305.5

32  

Cardioactive peptide (1V46)(Model 9)

 

123

 

-210.6

1.701

-380.9

 

0.179

-311.8

 

0.100

-297.2

33  

Chymotrypsin (1AFQ)

 

3968

 

-24030.8

0.720

-25938.2

 

0.103

-25416.8

 

0.055

-25257.3

34  

Cobalamin (2V3N)

 

7121

 

-41368.7

0.628

-42071.5

 

0.035

-41451.0

 

0.022

-41427.2

35  

Coiled Coil (2V66)

 

7745

 

-40922.5

0.923

-47122.7

 

0.123

-45758.8

 

0.070

-45338.5

36  

Collagen-like peptide (1A3J)

 

365

 

-3077.3

0.946

-3539.9

 

0.115

-3426.5

 

0.060

-3403.1

37  

Collagen-like peptide (1CAG)

 

1384

 

-10521.2

1.310

-11589.5

 

0.145

-11167.3

 

0.074

-11051.6

38  

Collagenase (1NQJ)

 

4537

 

-39301.4

1.011

-42756.1

 

0.132

-41483.8

 

0.069

-41171.3

39  

Crambin (1CBN)

 

641

 

-2585.0

1.128

-3026.8

 

0.177

-2899.6

 

0.118

-2829.0

40  

Crambin (solvated) (1CBN)

 

641

 

-2925.6

0.695

-3230.4

 

0.140

-3151.9

 

0.112

-3127.4

41  

Crambin (1EJG)

 

637

 

-2693.3

0.921

-3126.6

 

0.136

-2992.3

 

0.074

-2950.2

42  

Crambin (solvated) (1EJG)

 

637

 

-3051.0

0.613

-3353.4

 

0.102

-3291.6

 

0.067

-3270.8

43  

Crystallin (1AMM)

 

4020

 

-34837.6

1.128

-37831.1

 

0.139

-36691.8

 

0.070

-36395.3

44  

Cytochrome-P450 (1DT6)

 

7309

 

-27412.5

0.588

-32813.5

 

0.141

-31757.8

 

0.075

-31251.5

45  

Cytochrome C (1CPQ)

 

2245

 

-15458.6

0.884

-16991.2

 

0.117

-16525.9

 

0.063

-16411.6

46  

DMSO Reductase (1DMS)

 

12837

 

-72976.6

0.627

-79733.2

 

0.124

-78234.1

 

0.073

-77562.1

47  

Flavodoxin (1RCF)

 

3550

 

-30377.4

1.021

-33326.9

 

0.135

-32346.2

 

0.070

-32102.5

48  

Green fluorescent protein (1EMA)

 

3783

 

-20003.7

0.759

-22750.0

 

0.126

-22110.7

 

0.069

-21875.1

49  

Hemoglobin (1GZX)

 

9687

 

-42812.5

0.991

-62042.4

 

0.156

-51643.4

 

0.091

-50845.5

50  

Hen egg white lysozyme (193L)

 

2388

 

-15599.3

1.215

-17073.0

 

0.129

-16421.9

 

0.065

-16268.1

51  

Hen egg white lysozyme (1IEE)

 

2590

 

-20816.6

1.051

-22692.0

 

0.132

-22015.0

 

0.070

-21850.4

52  

Hexokinase with glucose (2E2O)

 

5717

 

-43636.2

0.626

-46407.6

 

0.112

-45527.8

 

0.057

-45263.8

53  

Hydrophobin HFBII (2B97)

 

981

 

-3821.7

1.209

-4733.2

 

0.134

-4450.1

 

0.068

-4384.7

54  

Importin (1QGK)

 

14566

 

-64798.2

0.620

-73597.7

 

0.116

-71672.2

 

0.064

-71148.1

55  

Metalloprotein (1J3F)

 

3349

 

-26958.0

0.691

-29497.1

 

0.124

-28757.2

 

0.065

-28563.6

56  

Outer surface protein (2G8C)

 

4934

 

-43933.3

0.868

-46871.9

 

0.122

-45765.5

 

0.060

-45487.7

57  

Oxalate decarboxylase (1UW8)

 

7131

 

-47819.8

0.583

-52068.9

 

0.127

-50844.7

 

0.064

-50432.2

58  

Pancreatic trypsin inhibitor (1G6X)

 

1455

 

-15371.1

1.050

-16031.5

 

0.083

-15834.8

 

0.052

-15804.6

59  

Papain (9PAP)

 

3996

 

-25539.6

0.896

-29248.9

 

0.146

-28340.6

 

0.081

-28032.3

60  

Pheromone binding protein (1DQE)

 

2448

 

-14943.8

1.192

-16939.0

 

0.132

-16374.2

 

0.074

-16229.2

61  

Potassium channel (1JVM)

 

5749

 

-21229.6

0.721

-24807.2

 

0.135

-24001.0

 

0.076

-23621.5

62  

Ranasmurfin (2VH3)

 

4100

 

-27063.8

0.988

-30022.3

 

0.131

-29448.4

 

0.068

-29175.5

63  

Rho (1A62)

 

2328

 

-15402.2

1.332

-17058.4

 

0.118

-16430.3

 

0.065

-16318.5

64  

Ricin A plus B (2AAI)

 

8905

 

-41387.1

0.744

-50444.1

 

0.149

-48529.2

 

0.128

-46644.2

65  

Silk (Poly-(Gly-Ala))

 

136

 

-845.6

0.015

-846.5

 

0.015

-846.5

 

0.015

-846.5

66  

Spectrin (2SPC)

 

3890

 

-23398.7

1.439

-27208.5

 

0.149

-26074.6

 

0.083

-25783.3

67  

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

 

1822

 

-12237.4

1.281

-14178.7

 

0.143

-13655.9

 

0.080

-13521.5

68  

Thermal Hysteresis Protein Isoform YL-1 (1EZG)

 

2064

 

-11489.8

0.866

-12660.0

 

0.105

-12389.4

 

0.060

-12310.5

69  

Triose Phosphate Isomerase (1WYI)

 

8876

 

-59815.1

0.778

-65764.5

 

0.140

-63844.7

 

0.072

-63177.7

70  

Triose Phosphate Isomerase (2YPI)

 

3778

 

-12327.5

1.678

-18690.9

 

0.193

-17524.2

 

0.113

-17058.2

71  

Turkey egg white lysozyme (135L)

 

2283

 

-14460.9

0.767

-16094.1

 

0.124

-15656.6

 

0.069

-15528.3

72  

Zinc-bundle (1EF4)

 

889

 

-2516.9

2.981

-3962.9

 

0.194

-3055.3

 

0.086

-2925.2

73  

Zinc endoprotease (1C7K)

 

2278

 

-15963.2

0.998

-17553.5

 

0.124

-17003.1

 

0.065

-16873.1

74  

Zinc Finger (2J7J)

 

1765

 

-12838.4

1.399

-14066.9

 

0.111

-13530.8

 

0.056

-13463.4

75  

Zinc Finger (3ZNF)

 

494

 

-1349.1

2.016

-1902.2

 

0.153

-1789.6

 

0.083

-1737.7