Time stamp: Thu Aug 19 08:14:57 2021 Proteins calculated using PM7  

Proteins calculated using PM7

(Home - Accuracy - Manual

     

No.

 

PDB

 

10 Kcal/Å2 constraint

3 Kcal/Å2 constraint

Unconstrained

No Protein

Atoms

ΔHf

RMS

ΔHf

RMS

ΔHf

RMS

ΔHf

1  

1-Myoglobin (1M6C)

6411

-58532.5

Jmol ARC PDB

0.077

-61347.2

Jmol ARC PDB

0.147

-61898.7

Jmol ARC PDB

1.382

-64422.5

Jmol ARC PDB

2  

3CLpro inhibitor (4MDS)

6057

-56170.3

Jmol ARC PDB

0.066

-57867.9

Jmol ARC PDB

0.121

-58227.9

Jmol ARC PDB

1.380

-60125.8

Jmol ARC PDB

3  

5ULI

6178

-40087.9

Jmol ARC PDB

0.058

-41920.8

Jmol ARC PDB

0.108

-42182.5

Jmol ARC PDB

1.579

-43549.9

Jmol ARC PDB

4  

Acyltransferase (1LXA)

3946

-19613.3

Jmol ARC PDB

0.079

-21429.0

Jmol ARC PDB

0.137

-21690.2

Jmol ARC PDB

1.421

-22530.3

Jmol ARC PDB

5  

Alpha Tropomyosin (2B9C)

5483

-44980.9

Jmol ARC PDB

0.099

-50860.5

Jmol ARC PDB

0.171

-51441.4

Jmol ARC PDB

2.060

-54212.1

Jmol ARC PDB

6  

Aromatase (3EQM)

7637

-39803.8

Jmol ARC PDB

0.053

-41899.7

Jmol ARC PDB

0.102

-42194.4

Jmol ARC PDB

1.800

-44059.3

Jmol ARC PDB

7  

Azurin ISO-2 (1CUO)

2146

-16123.0

Jmol ARC PDB

0.053

-16727.0

Jmol ARC PDB

0.104

-16823.0

Jmol ARC PDB

1.301

-17369.7

Jmol ARC PDB

8  

Bacteriochlorophyll (4BCL)

6729

-36494.3

Jmol ARC PDB

0.085

-40649.0

Jmol ARC PDB

0.140

-41103.3

Jmol ARC PDB

1.384

-42508.7

Jmol ARC PDB

9  

Bacteriorhodopsin (1AP9)

3579

-17422.3

Jmol ARC PDB

0.058

-18333.9

Jmol ARC PDB

0.118

-18525.4

Jmol ARC PDB

2.019

-19504.6

Jmol ARC PDB

10  

Bacteriorhodopsin (1AT9)

3667

-16234.2

Jmol ARC PDB

0.067

-17371.4

Jmol ARC PDB

0.128

-17590.2

Jmol ARC PDB

1.571

-18691.5

Jmol ARC PDB

11  

Bacteriorhodopsin (1BRX)

3352

-16559.9

Jmol ARC PDB

0.033

-16803.0

Jmol ARC PDB

0.064

-16853.1

Jmol ARC PDB

1.228

-17198.6

Jmol ARC PDB

12  

Bacteriorhodopsin (1C3W)

3619

-18192.9

Jmol ARC PDB

0.059

-19219.0

Jmol ARC PDB

0.103

-19348.0

Jmol ARC PDB

1.094

-19841.3

Jmol ARC PDB

13  

Bacteriorhodopsin (2AT9)

3557

-15299.0

Jmol ARC PDB

0.079

-16679.7

Jmol ARC PDB

0.158

-17023.1

Jmol ARC PDB

1.902

-18295.8

Jmol ARC PDB

14  

Barnase (1RNB)

2066

-15678.5

Jmol ARC PDB

0.094

-17031.3

Jmol ARC PDB

0.164

-17234.3

Jmol ARC PDB

1.402

-17927.5

Jmol ARC PDB

15  

Bovine lactoferrin (1SDX)

6079

-46371.8

Jmol ARC PDB

0.067

-48454.3

Jmol ARC PDB

0.126

-48827.8

Jmol ARC PDB

1.924

-50916.7

Jmol ARC PDB

16  

Calmodulin (2F3Y)

3599

-39500.8

Jmol ARC PDB

0.066

-40505.5

Jmol ARC PDB

0.135

-40798.9

Jmol ARC PDB

1.464

-42070.5

Jmol ARC PDB

17  

Carbonic anhydrase (1RZE)

4731

-35640.5

Jmol ARC PDB

0.066

-37676.9

Jmol ARC PDB

0.128

-37986.2

Jmol ARC PDB

1.238

-39254.5

Jmol ARC PDB

18  

Cardioactive peptide (1V46)(Model 1)

121

-375.8

Jmol ARC PDB

0.089

-434.9

Jmol ARC PDB

0.163

-447.8

Jmol ARC PDB

2.275

-532.1

Jmol ARC PDB

19  

Cardioactive peptide (1V46)(Model 10)

123

-373.7

Jmol ARC PDB

0.084

-439.1

Jmol ARC PDB

0.146

-449.2

Jmol ARC PDB

1.139

-493.6

Jmol ARC PDB

20  

Cardioactive peptide (1V46)(Model 2)

123

-333.1

Jmol ARC PDB

0.086

-435.9

Jmol ARC PDB

0.149

-446.3

Jmol ARC PDB

1.064

-493.5

Jmol ARC PDB

21  

Cardioactive peptide (1V46)(Model 3)

123

-369.4

Jmol ARC PDB

0.086

-435.9

Jmol ARC PDB

0.152

-446.6

Jmol ARC PDB

1.305

-493.6

Jmol ARC PDB

22  

Cardioactive peptide (1V46)(Model 4)

123

-366.4

Jmol ARC PDB

0.087

-433.5

Jmol ARC PDB

0.154

-444.7

Jmol ARC PDB

1.103

-489.0

Jmol ARC PDB

23  

Cardioactive peptide (1V46)(Model 5)

123

-367.5

Jmol ARC PDB

0.087

-433.5

Jmol ARC PDB

0.155

-445.3

Jmol ARC PDB

1.143

-494.4

Jmol ARC PDB

24  

Cardioactive peptide (1V46)(Model 6)

123

-371.9

Jmol ARC PDB

0.087

-437.7

Jmol ARC PDB

0.150

-448.4

Jmol ARC PDB

1.049

-493.0

Jmol ARC PDB

25  

Cardioactive peptide (1V46)(Model 7)

123

-366.8

Jmol ARC PDB

0.086

-432.3

Jmol ARC PDB

0.151

-443.5

Jmol ARC PDB

1.069

-491.9

Jmol ARC PDB

26  

Cardioactive peptide (1V46)(Model 8)

123

-373.2

Jmol ARC PDB

0.084

-437.9

Jmol ARC PDB

0.152

-448.7

Jmol ARC PDB

2.087

-501.4

Jmol ARC PDB

27  

Cardioactive peptide (1V46)(Model 9)

123

-369.3

Jmol ARC PDB

0.084

-433.2

Jmol ARC PDB

0.149

-443.4

Jmol ARC PDB

2.008

-504.8

Jmol ARC PDB

28  

Chymotrypsin (1AFQ)

3968

-28969.2

Jmol ARC PDB

0.051

-29898.4

Jmol ARC PDB

0.098

-30056.5

Jmol ARC PDB

1.130

-30783.6

Jmol ARC PDB

29  

Chymotrypsin (8GCH)

4575

-43617.6

Jmol ARC PDB

0.083

-45777.2

Jmol ARC PDB

0.152

-46178.6

Jmol ARC PDB

1.294

-47560.1

Jmol ARC PDB

30  

Cobalamin (2V3N)

7117

-46577.6

Jmol ARC PDB

0.055

-48615.5

Jmol ARC PDB

0.104

-48922.9

Jmol ARC PDB

1.529

-50658.2

Jmol ARC PDB

31  

Coiled Coil (2V66)

7745

-50655.3

Jmol ARC PDB

0.067

-53965.8

Jmol ARC PDB

0.126

-54432.1

Jmol ARC PDB

1.499

-56436.5

Jmol ARC PDB

32  

Collagen-like peptide (1A3J)

371

-3801.8

Jmol ARC PDB

0.060

-3900.3

Jmol ARC PDB

0.133

-3933.7

Jmol ARC PDB

0.990

-4059.3

Jmol ARC PDB

33  

Collagenase (1NQJ)

4537

-46529.9

Jmol ARC PDB

0.075

-48352.5

Jmol ARC PDB

0.144

-48733.5

Jmol ARC PDB

1.159

-50312.0

Jmol ARC PDB

34  

Crambin (1CBN)

641

-3585.2

Jmol ARC PDB

0.043

-3748.5

Jmol ARC PDB

0.079

-3761.8

Jmol ARC PDB

0.717

-3823.5

Jmol ARC PDB

35  

Crambin (1EJG)

637

-3411.1

Jmol ARC PDB

0.050

-3609.5

Jmol ARC PDB

0.082

-3622.3

Jmol ARC PDB

0.678

-3686.5

Jmol ARC PDB

36  

Crystallin (1AMM)

4020

-41968.5

Jmol ARC PDB

0.074

-43669.1

Jmol ARC PDB

0.143

-44014.4

Jmol ARC PDB

1.162

-45351.2

Jmol ARC PDB

37  

Cytochrome-C (1CPQ)

2245

-18822.6

Jmol ARC PDB

0.058

-19549.6

Jmol ARC PDB

0.126

-19679.7

Jmol ARC PDB

1.294

-20279.4

Jmol ARC PDB

38  

Cytochrome-P450 (1DT6)

7308

-35026.3

Jmol ARC PDB

0.070

-37977.1

Jmol ARC PDB

0.135

-38470.1

Jmol ARC PDB

1.655

-40554.2

Jmol ARC PDB

39  

DMSO Reductase (1DMS)

12839

-89946.1

Jmol ARC PDB

0.054

-93454.6

Jmol ARC PDB

0.103

-94004.2

Jmol ARC PDB

1.302

-96594.3

Jmol ARC PDB

40  

Flavodoxin (1RCF)

3550

-36154.9

Jmol ARC PDB

0.071

-37784.4

Jmol ARC PDB

0.139

-38062.4

Jmol ARC PDB

1.323

-39394.3

Jmol ARC PDB

41  

Green fluorescent protein (1EMA)

3783

-25262.7

Jmol ARC PDB

0.062

-26564.5

Jmol ARC PDB

0.116

-26760.8

Jmol ARC PDB

1.183

-27582.3

Jmol ARC PDB

42  

Green fluorescent protein (1GFL)

8112

-59380.9

Jmol ARC PDB

0.064

-62061.0

Jmol ARC PDB

0.131

-62557.5

Jmol ARC PDB

1.371

-64966.9

Jmol ARC PDB

43  

Hen egg white lysozyme (193L)

2388

-19857.9

Jmol ARC PDB

0.058

-20425.8

Jmol ARC PDB

0.113

-20551.3

Jmol ARC PDB

1.291

-21248.3

Jmol ARC PDB

44  

Hen egg white lysozyme (1IEE)

2590

-25194.4

Jmol ARC PDB

0.068

-26121.4

Jmol ARC PDB

0.133

-26311.8

Jmol ARC PDB

1.195

-27104.8

Jmol ARC PDB

45  

Hexokinase with glucose (2E2O)

5717

-52251.4

Jmol ARC PDB

0.059

-53593.0

Jmol ARC PDB

0.113

-53904.6

Jmol ARC PDB

1.304

-55365.8

Jmol ARC PDB

46  

Human Cathepsin G (1T32)

4507

-36659.8

Jmol ARC PDB

0.074

-38612.2

Jmol ARC PDB

0.141

-38951.9

Jmol ARC PDB

1.415

-40396.0

Jmol ARC PDB

47  

Human MTH1 (3ZR0)

5616

-41028.9

Jmol ARC PDB

0.066

-43539.8

Jmol ARC PDB

0.119

-43832.6

Jmol ARC PDB

1.361

-45036.0

Jmol ARC PDB

48  

Hydrophobin HFBII (2B97)

2728

-28055.2

Jmol ARC PDB

0.072

-29250.3

Jmol ARC PDB

0.134

-29445.3

Jmol ARC PDB

1.075

-30198.5

Jmol ARC PDB

49  

Importin (1QGK)

14566

-81814.8

Jmol ARC PDB

0.057

-85859.5

Jmol ARC PDB

0.111

-86539.8

Jmol ARC PDB

1.506

-89641.7

Jmol ARC PDB

50  

Kemp elimination (KE07)

3990

-21086.0

Jmol ARC PDB

0.049

-22136.9

Jmol ARC PDB

0.089

-22254.9

Jmol ARC PDB

1.189

-22785.5

Jmol ARC PDB

51  

Metalloprotein (1J3F)

3333

-33013.7

Jmol ARC PDB

0.084

-33975.8

Jmol ARC PDB

0.136

-34278.1

Jmol ARC PDB

1.198

-35163.3

Jmol ARC PDB

52  

Mouse sulfotransferase sult1d1 (2ZPT)

6211

-58340.3

Jmol ARC PDB

0.060

-60363.0

Jmol ARC PDB

0.112

-60692.7

Jmol ARC PDB

1.029

-62118.8

Jmol ARC PDB

53  

Outer surface protein (2G8C)

4934

-51710.4

Jmol ARC PDB

0.063

-53238.5

Jmol ARC PDB

0.120

-53547.9

Jmol ARC PDB

1.620

-54894.9

Jmol ARC PDB

54  

Oxalate decarboxylase (1UW8)

7135

-60003.5

Jmol ARC PDB

0.062

-62226.8

Jmol ARC PDB

0.118

-62596.3

Jmol ARC PDB

1.390

-64107.3

Jmol ARC PDB

55  

Oxy-Hemoglobin (1GZX)

9687

-55008.8

Jmol ARC PDB

0.088

-61480.7

Jmol ARC PDB

0.158

-62368.4

Jmol ARC PDB

1.794

-65067.1

Jmol ARC PDB

56  

Pancreatic trypsin inhibitor (1G6X)

1455

-17891.9

Jmol ARC PDB

0.073

-18439.9

Jmol ARC PDB

0.132

-18531.7

Jmol ARC PDB

0.904

-18840.6

Jmol ARC PDB

57  

Papain (1PE6)

3917

-30028.6

Jmol ARC PDB

0.073

-31584.3

Jmol ARC PDB

0.136

-31875.0

Jmol ARC PDB

1.468

-33236.3

Jmol ARC PDB

58  

Papain (9PAP)

3996

-30943.5

Jmol ARC PDB

0.081

-33340.2

Jmol ARC PDB

0.147

-33657.6

Jmol ARC PDB

1.410

-35047.4

Jmol ARC PDB

59  

Pheromone binding protein (1DQE)

2448

-18259.6

Jmol ARC PDB

0.074

-19356.1

Jmol ARC PDB

0.131

-19513.9

Jmol ARC PDB

1.171

-20097.7

Jmol ARC PDB

60  

Potassium channel (1JVM)

5749

-26919.8

Jmol ARC PDB

0.066

-28655.6

Jmol ARC PDB

0.125

-28993.9

Jmol ARC PDB

1.751

-30231.8

Jmol ARC PDB

61  

QacR-Diamidine complexes (1RKW)

12783

-74474.0

Jmol ARC PDB

0.066

-79124.2

Jmol ARC PDB

0.129

-79937.2

Jmol ARC PDB

1.601

-83406.8

Jmol ARC PDB

62  

QacR-Diamidine complexes (1RPW)

6326

-34576.2

Jmol ARC PDB

0.065

-36907.8

Jmol ARC PDB

0.122

-37248.0

Jmol ARC PDB

1.883

-39045.2

Jmol ARC PDB

63  

Ranasmurfin (2VH3)

4080

-33136.1

Jmol ARC PDB

0.057

-34436.8

Jmol ARC PDB

0.111

-34632.6

Jmol ARC PDB

1.181

-35569.8

Jmol ARC PDB

64  

Rho (1A62)

2328

-18810.3

Jmol ARC PDB

0.061

-19458.2

Jmol ARC PDB

0.128

-19570.9

Jmol ARC PDB

1.260

-20193.2

Jmol ARC PDB

65  

Ricin A plus B (2AAI)

8904

-51933.4

Jmol ARC PDB

0.085

-57113.6

Jmol ARC PDB

0.153

-57890.9

Jmol ARC PDB

1.884

-60722.8

Jmol ARC PDB

66  

Silk (Poly-(Gly-Ala))

544

-3763.6

Jmol ARC PDB

0.002

-3763.6

Jmol ARC PDB

0.000

-3763.6

Jmol ARC PDB

0.002

-3763.6

Jmol ARC PDB

67  

Spectrin (2SPC)

3890

-29088.0

Jmol ARC PDB

0.081

-30908.7

Jmol ARC PDB

0.148

-31233.9

Jmol ARC PDB

1.309

-32409.7

Jmol ARC PDB

68  

Stage V sporulation protein T (2W1R)

2050

-17477.9

Jmol ARC PDB

0.058

-17953.4

Jmol ARC PDB

0.116

-18067.7

Jmol ARC PDB

1.072

-18528.2

Jmol ARC PDB

69  

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

1822

-14888.9

Jmol ARC PDB

0.083

-16106.4

Jmol ARC PDB

0.157

-16278.5

Jmol ARC PDB

1.439

-16918.5

Jmol ARC PDB

70  

Thermal Hysteresis Protein Isoform YL-1 (1EZG)

2064

-13680.4

Jmol ARC PDB

0.050

-14221.5

Jmol ARC PDB

0.091

-14279.6

Jmol ARC PDB

1.357

-14703.1

Jmol ARC PDB

71  

Triose Phosphate Isomerase (1WYI)

8876

-72474.5

Jmol ARC PDB

0.070

-75182.4

Jmol ARC PDB

0.139

-75861.0

Jmol ARC PDB

1.281

-78732.9

Jmol ARC PDB

72  

Triose Phosphate Isomerase (2YPI)

7665

-35423.9

Jmol ARC PDB

0.113

-43965.6

Jmol ARC PDB

0.199

-45052.2

Jmol ARC PDB

1.731

-47787.7

Jmol ARC PDB

73  

Turkey egg white lysozyme (135L)

2283

-17743.1

Jmol ARC PDB

0.064

-18593.9

Jmol ARC PDB

0.121

-18724.2

Jmol ARC PDB

1.320

-19410.2

Jmol ARC PDB

74  

Yeast Chorismate Mutase (3CSM)

4239

-21658.9

Jmol ARC PDB

0.068

-23075.6

Jmol ARC PDB

0.128

-23343.6

Jmol ARC PDB

1.339

-24175.4

Jmol ARC PDB

75  

Zinc Finger (2J7J)

1765

-15584.3

Jmol ARC PDB

0.054

-16059.4

Jmol ARC PDB

0.109

-16148.3

Jmol ARC PDB

1.407

-16593.3

Jmol ARC PDB

76  

Zinc Finger (3ZNF)

494

-1884.5

Jmol ARC PDB

0.067

-2183.6

Jmol ARC PDB

0.110

-2205.6

Jmol ARC PDB

1.545

-2322.2

Jmol ARC PDB

77  

Zinc endoprotease (1C7K)

2279

-19287.3

Jmol ARC PDB

0.063

-20034.7

Jmol ARC PDB

0.122

-20177.8

Jmol ARC PDB

1.114

-20798.3

Jmol ARC PDB

78  

Zinc-bundle (1EF4)

890

-4471.7

Jmol ARC PDB

0.057

-4692.3

Jmol ARC PDB

0.110

-4729.7

Jmol ARC PDB

1.680

-4950.6

Jmol ARC PDB

Average RMS Error:

0.069

0.127

1.218