No.

PDB

Unconstrained

3 Kcal/Ų constraint

10 Kcal/Ų constraint

Atoms

DH_f

RMS

DH_f

RMS

DH_f

RMS

DH_f

1-Myoglobin (1M6C)

3310

-30191.1

0.629

-33324.6

0.160

-32097.0

0.080

-31752.0

1PE6

3917

-28555.8

1.227

-32024.8

0.146

-30584.1

0.077

-30258.4

1RKW

12791

-69806.7

1.017

-79145.8

0.131

-75879.0

0.070

-75536.3

1RPW

6326

-32256.2

1.305

-36957.5

0.126

-35216.0

0.067

-34831.2

1SDX

6081

-43190.3

1.312

-49132.1

0.158

-48214.3

0.073

-46237.4

1T32

4507

-34884.6

1.017

-38799.3

0.154

-37382.1

0.097

-38097.6

2W1R

2050

-16603.4

1.024

-17884.3

0.122

-17314.0

0.060

-17192.8

2ZPT

6211

-56056.6

1.023

-59834.4

0.133

-58212.7

0.066

-58103.3

Acyltransferase (1LXA)

3946

-18206.7

0.677

-21363.1

0.140

-20495.6

0.081

-20219.4

Alpha tropomyosin (2B9C)

5483

-42178.0

1.674

-51616.1

0.176

-48738.5

0.100

-48153.2

Aromatase (3EQM)

7637

-37225.4

1.099

-41646.2

0.107

-40011.8

0.055

-39669.5

Azurin Iso-2 (1CUO)

2146

-16173.3

0.810

-16699.7

0.081

-16416.5

0.042

-16361.0

Bacteriochlorophyll (4BCL)

6735

-33685.3

1.172

-40807.8

0.140

-39130.7

0.091

-38668.5

Bacteriorhodopsin (1AP9)

3579

-16489.9

0.658

-18770.7

0.121

-17662.5

0.059

-17462.8

Bacteriorhodopsin (1AT9)

3667

-15311.5

0.839

-17937.1

0.108

-17553.6

0.067

-16501.0

Bacteriorhodopsin (1BRX)

3352

-15979.3

0.693

-16483.4

0.058

-16219.4

0.031

-16178.4

Bacteriorhodopsin (1C3W)

3618

-16936.1

0.945

-18875.9

0.107

-18272.7

0.061

-18073.8

Bacteriorhodopsin (2AT9)

3557

-14402.3

1.007

-17494.5

0.154

-16181.8

0.080

-15871.4

Barnase (1RNB)

2066

-16741.9

0.465

-17204.0

0.083

-16981.7

0.044

-16929.2

Calmodulin (2F3Y)

3599

-37876.4

1.094

-40647.9

0.150

-39366.5

0.078

-39029.4

Carbonic anhydrase (1RZE)

4728

-33608.4

1.325

-38217.1

0.132

-36785.4

0.081

-36725.1

Cardioactive peptide (1V46)(Model 1)

123

-256.0

1.720

-413.7

0.164

-342.8

0.089

-330.2

Cardioactive peptide (1V46)(Model 10)

123

-260.5

1.659

-412.4

0.163

-345.7

0.090

-333.7

Cardioactive peptide (1V46)(Model 2)

123

-214.2

1.626

-413.1

0.165

-345.4

0.091

-333.1

Cardioactive peptide (1V46)(Model 3)

123

-253.6

2.016

-420.4

0.167

-343.4

0.093

-331.2

Cardioactive peptide (1V46)(Model 4)

123

-255.5

2.277

-425.6

0.161

-342.6

0.091

-331.5

Cardioactive peptide (1V46)(Model 5)

123

-255.8

1.613

-412.8

0.169

-343.0

0.092

-329.0

Cardioactive peptide (1V46)(Model 6)

123

-261.5

1.641

-413.1

0.159

-346.8

0.091

-335.1

Cardioactive peptide (1V46)(Model 7)

123

-254.3

2.133

-424.5

0.166

-341.2

0.091

-328.7

Cardioactive peptide (1V46)(Model 8)

123

-261.5

1.553

-411.5

0.160

-345.6

0.090

-334.1

Cardioactive peptide (1V46)(Model 9)

123

-250.0

1.893

-418.0

0.166

-338.1

0.092

-325.7

Chymotrypsin (1AFQ)

3968

-27746.8

1.264

-29852.5

0.109

-28954.3

0.055

-28768.7

Cobalamin (2V3N)

7121

-46446.7

0.746

-48230.9

0.074

-47477.2

0.058

-48918.1

Coiled Coil (2V66)

7745

-47047.8

1.267

-53581.1

0.132

-51479.4

0.069

-50927.2

Collagen-like peptide (1A3J)

365

-3662.1

1.315

-3932.6

0.150

-3821.5

0.065

-3782.4

Collagen-like peptide (1CAG)

1384

-11562.1

1.233

-12659.6

0.150

-12149.7

0.074

-12022.7

Collagenase (1NQJ)

4537

-44936.0

1.035

-48823.1

0.157

-47157.9

0.077

-46800.3

Crambin (1CBN)

641

-2938.2

0.985

-3543.6

0.172

-3200.0

0.115

-3140.9

Crambin (solvated) (1CBN)

641

-3256.7

0.728

-3537.1

0.139

-3453.8

0.109

-3431.4

Crambin (1EJG)

637

-3037.2

0.840

-3195.0

0.138

-3289.2

0.072

-3248.3

Crambin (solvated) (1EJG)

637

-3369.0

0.659

-3652.3

0.098

-3581.7

0.064

-3565.3

Crystallin (1AMM)

4020

-40245.7

1.260

-44005.9

0.157

-42422.8

0.079

-42019.7

Cytochrome-P450 (1DT6)

7309

-32570.8

1.675

-38704.9

0.137

-36191.7

0.070

-35665.1

Cytochrome C (1CPQ)

2245

-17830.4

1.060

-19450.8

0.124

-18756.5

0.061

-18623.1

DMSO Reductase (1DMS)

12837

-85677.1

0.924

-92710.8

0.104

-90367.6

0.055

-89811.7

Flavodoxin (1RCF)

3550

-34689.8

1.092

-38153.2

0.159

-36735.9

0.077

-36371.5

Green fluorescent protein (1EMA)

3783

-23544.7

0.966

-26254.2

0.126

-25284.6

0.067

-25132.4

Hemoglobin (1GZX)

9687

-50919.5

1.092

-62127.6

0.160

-59553.4

0.097

-58753.4

Hen egg white lysozyme (193L)

2388

-18176.6

1.321

-19774.2

0.129

-18923.9

0.062

-18765.4

Hen egg white lysozyme (1IEE)

2590

-24031.9

1.095

-26164.4

0.154

-25234.6

0.073

-24992.6

Hexokinase with glucose (2E2O)

5717

-50207.1

0.939

-53490.9

0.119

-52031.5

0.061

-51677.7

Hydrophobin HFBII (2B97)

981

-4333.1

1.345

-5008.5

0.135

-4896.7

0.065

-4827.2

Importin (1QGK)

14566

-76480.5

1.300

-85424.7

0.116

-82413.6

0.060

-81028.2

Metalloprotein (1J3F)

3349

-31191.6

1.106

-34056.4

0.136

-32919.0

0.072

-32716.2

Outer surface protein (2G8C)

4934

-49848.1

1.148

-53222.8

0.133

-51758.7

0.069

-51414.9

Oxalate decarboxylase (1UW8)

7131

-55048.6

1.008

-60235.4

0.167

-61685.1

0.069

-58684.5

Pancreatic trypsin inhibitor (1G6X)

1455

-17428.1

0.988

-18344.4

0.134

-17981.2

0.072

-17884.9

Papain (9PAP)

3996

-29562.7

1.082

-33772.6

0.155

-32410.9

0.083

-32056.0

Pheromone binding protein (1DQE)

2448

-17289.1

1.383

-19436.0

0.137

-18622.7

0.075

-18453.9

Potassium channel (1JVM)

5749

-25427.3

1.130

-28706.7

0.131

-27559.4

0.067

-27199.3

Ranasmurfin (2VH3)

4093

-30495.1

1.034

-34467.8

0.136

-32862.4

0.068

-32787.8

Rho (1A62)

2328

-17790.1

1.198

-19397.4

0.129

-18699.7

0.065

-18539.4

Ricin A plus B (2AAI)

8905

-48995.2

1.489

-58484.7

0.234

-54883.8

0.127

-52927.4

Silk (Poly-(Gly-Ala))

136

-926.2

0.206

-946.0

0.071

-941.6

0.026

-937.0

Spectrin (2SPC)

3890

-27035.2

1.594

-31050.4

0.154

-29481.7

0.082

-29075.6

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

1822

-14047.7

1.395

-16236.5

0.163

-15487.2

0.087

-15282.2

Thermal Hysteresis Protein Isoform YL-1 (1EZG)

2064

-12891.6

1.181

-14051.2

0.092

-13625.5

0.054

-13561.0

Triose Phosphate Isomerase (1WYI)

8876

-69418.8

0.927

-75718.7

0.145

-72996.2

0.072

-72250.9

Triose Phosphate Isomerase (2YPI)

3778

-14788.0

1.735

-21210.2

0.194

-19840.2

0.111

-19337.3

Turkey egg white lysozyme (135L)

2283

-16866.4

0.842

-18484.3

0.153

-18454.9

0.065

-17756.3

Zinc-bundle (1EF4)

889

-2955.4

2.041

-4328.7

0.186

-3421.5

0.078

-3482.3

Zinc endoprotease (1C7K)

2278

-18271.4

1.182

-20037.6

0.135

-19290.2

0.067

-19123.7

Zinc Finger (2J7J)

1765

-14666.7

1.091

-15791.4

0.125

-15282.6

0.061

-15175.6

Zinc Finger (3ZNF)

494

-1600.8

1.952

-2114.6

0.123

-1959.2

0.068

-1927.2