No.

PDB

Unconstrained

3 Kcal/Ų constraint

10 Kcal/Ų constraint

Atoms

ΔH_f

RMS

ΔH_f

RMS

ΔH_f

RMS

ΔH_f

Ranasmurfin (2VH3)

4100

-27063.8

0.988

-30022.3

0.131

-29448.4

0.068

-29175.5

1-Myoglobin (1M6C)

3312

-29174.8

1.596

-29303.4

0.138

-28126.3

0.073

-27900.5

1PE6

3917

-24678.2

0.778

-27561.9

0.142

-26720.2

0.078

-26440.1

1RKW

12791

-59340.2

0.794

-68933.0

0.133

-66537.9

0.073

-65699.3

1RPW

6326

-27322.7

0.753

-31999.0

0.131

-30904.3

0.073

-30516.3

1SDX

6081

-37700.3

0.907

-42782.3

0.140

-40816.4

0.073

-40359.3

1T32

4507

-29867.1

1.038

-33624.6

0.147

-32466.3

0.077

-32103.1

2W1R

2050

-14609.8

0.991

-15807.6

0.111

-15359.1

0.057

-15264.9

2ZPT

6211

-48236.1

0.663

-51319.2

0.124

-50664.7

0.065

-50306.6

Acyltransferase (1LXA)

3946

-15266.1

1.062

-18780.7

0.148

-17994.2

0.088

-17694.3

Alpha tropomyosin (2B9C)

5483

-36908.8

1.640

-46231.6

0.170

-44045.8

0.103

-43510.4

Aromatase (3EQM)

7637

-31474.9

0.681

-35816.2

0.108

-34787.1

0.059

-34451.6

Azurin Iso-2 (1CUO)

2146

-13286.8

0.668

-14643.2

0.122

-14145.1

0.061

-14018.0

Bacteriochlorophyll (4BCL)

6735

-28575.6

1.016

-35762.7

0.154

-34517.9

0.093

-33958.9

Bacteriorhodopsin (1AP9)

3579

-14038.4

1.255

-16204.0

0.119

-15448.6

0.063

-15266.2

Bacteriorhodopsin (1AT9)

3667

-12872.6

1.663

-15490.4

0.131

-14895.1

0.073

-14389.4

Bacteriorhodopsin (1BRX)

3352

-14146.4

0.611

-14225.9

0.024

-14152.6

0.014

-14142.8

Bacteriorhodopsin (1C3W)

3618

-14055.4

0.626

-16323.0

0.121

-15710.9

0.072

-15531.6

Bacteriorhodopsin (2AT9)

3557

-12032.6

1.230

-15009.7

0.156

-14112.2

0.084

-13803.5

Barnase (1RNB)

2066

-15023.6

0.043

-15026.9

0.031

-15025.1

0.007

-15026.0

Calmodulin (2F3Y)

3599

-33025.9

0.934

-35418.4

0.134

-34455.6

0.065

-34164.3

Carbonic anhydrase (1RZE)

4728

-28887.2

0.758

-33198.0

0.128

-31579.8

0.069

-31286.4

Cardioactive peptide (1V46)(Model 1)

123

-216.3

2.260

-392.8

0.172

-315.5

0.099

-302.4

Cardioactive peptide (1V46)(Model 10)

123

-224.4

2.087

-394.8

0.172

-319.3

0.094

-305.7

Cardioactive peptide (1V46)(Model 2)

123

-167.8

2.083

-392.3

0.171

-316.8

0.097

-303.6

Cardioactive peptide (1V46)(Model 3)

123

-213.5

1.990

-392.3

0.177

-316.3

0.100

-301.9

Cardioactive peptide (1V46)(Model 4)

123

-216.4

1.360

-378.2

0.173

-315.6

0.098

-302.1

Cardioactive peptide (1V46)(Model 5)

123

-217.3

2.043

-393.3

0.173

-315.0

0.098

-301.3

Cardioactive peptide (1V46)(Model 6)

123

-221.9

2.176

-394.2

0.174

-319.4

0.097

-305.7

Cardioactive peptide (1V46)(Model 7)

123

-215.7

2.112

-391.5

0.172

-313.4

0.098

-300.3

Cardioactive peptide (1V46)(Model 8)

123

-223.7

2.062

-394.7

0.172

-319.1

0.095

-305.5

Cardioactive peptide (1V46)(Model 9)

123

-210.6

1.701

-380.9

0.179

-311.8

0.100

-297.2

Chymotrypsin (1AFQ)

3968

-24030.8

0.720

-25938.2

0.103

-25416.8

0.055

-25257.3

Cobalamin (2V3N)

7121

-41368.7

0.628

-42071.5

0.035

-41451.0

0.022

-41427.2

Coiled Coil (2V66)

7745

-40922.5

0.923

-47122.7

0.123

-45758.8

0.070

-45338.5

Collagen-like peptide (1A3J)

365

-3077.3

0.946

-3539.9

0.115

-3426.5

0.060

-3403.1

Collagen-like peptide (1CAG)

1384

-10521.2

1.310

-11589.5

0.145

-11167.3

0.074

-11051.6

Collagenase (1NQJ)

4537

-39301.4

1.011

-42756.1

0.132

-41483.8

0.069

-41171.3

Crambin (1CBN)

641

-2585.0

1.128

-3026.8

0.177

-2899.6

0.118

-2829.0

Crambin (solvated) (1CBN)

641

-2925.6

0.695

-3230.4

0.140

-3151.9

0.112

-3127.4

Crambin (1EJG)

637

-2693.3

0.921

-3126.6

0.136

-2992.3

0.074

-2950.2

Crambin (solvated) (1EJG)

637

-3051.0

0.613

-3353.4

0.102

-3291.6

0.067

-3270.8

Crystallin (1AMM)

4020

-34837.6

1.128

-37831.1

0.139

-36691.8

0.070

-36395.3

Cytochrome-P450 (1DT6)

7309

-27412.5

0.588

-32813.5

0.141

-31757.8

0.075

-31251.5

Cytochrome C (1CPQ)

2245

-15458.6

0.884

-16991.2

0.117

-16525.9

0.063

-16411.6

DMSO Reductase (1DMS)

12837

-72976.6

0.627

-79733.2

0.124

-78234.1

0.073

-77562.1

Flavodoxin (1RCF)

3550

-30377.4

1.021

-33326.9

0.135

-32346.2

0.070

-32102.5

Green fluorescent protein (1EMA)

3783

-20003.7

0.759

-22750.0

0.126

-22110.7

0.069

-21875.1

Hemoglobin (1GZX)

9687

-42812.5

0.991

-62042.4

0.156

-51643.4

0.091

-50845.5

Hen egg white lysozyme (193L)

2388

-15599.3

1.215

-17073.0

0.129

-16421.9

0.065

-16268.1

Hen egg white lysozyme (1IEE)

2590

-20816.6

1.051

-22692.0

0.132

-22015.0

0.070

-21850.4

Hexokinase with glucose (2E2O)

5717

-43636.2

0.626

-46407.6

0.112

-45527.8

0.057

-45263.8

Hydrophobin HFBII (2B97)

981

-3821.7

1.209

-4733.2

0.134

-4450.1

0.068

-4384.7

Importin (1QGK)

14566

-64798.2

0.620

-73597.7

0.116

-71672.2

0.064

-71148.1

Metalloprotein (1J3F)

3349

-26958.0

0.691

-29497.1

0.124

-28757.2

0.065

-28563.6

Outer surface protein (2G8C)

4934

-43933.3

0.868

-46871.9

0.122

-45765.5

0.060

-45487.7

Oxalate decarboxylase (1UW8)

7131

-47819.8

0.583

-52068.9

0.127

-50844.7

0.064

-50432.2

Pancreatic trypsin inhibitor (1G6X)

1455

-15371.1

1.050

-16031.5

0.083

-15834.8

0.052

-15804.6

Papain (9PAP)

3996

-25539.6

0.896

-29248.9

0.146

-28340.6

0.081

-28032.3

Pheromone binding protein (1DQE)

2448

-14943.8

1.192

-16939.0

0.132

-16374.2

0.074

-16229.2

Potassium channel (1JVM)

5749

-21229.6

0.721

-24807.2

0.135

-24001.0

0.076

-23621.5

Ranasmurfin (2VH3)

4100

-27063.8

0.988

-30022.3

0.131

-29448.4

0.068

-29175.5

Rho (1A62)

2328

-15402.2

1.332

-17058.4

0.118

-16430.3

0.065

-16318.5

Ricin A plus B (2AAI)

8905

-41387.1

0.744

-50444.1

0.149

-48529.2

0.128

-46644.2

Silk (Poly-(Gly-Ala))

136

-845.6

0.015

-846.5

0.015

-846.5

0.015

-846.5

Spectrin (2SPC)

3890

-23398.7

1.439

-27208.5

0.149

-26074.6

0.083

-25783.3

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

1822

-12237.4

1.281

-14178.7

0.143

-13655.9

0.080

-13521.5

Thermal Hysteresis Protein Isoform YL-1 (1EZG)

2064

-11489.8

0.866

-12660.0

0.105

-12389.4

0.060

-12310.5

Triose Phosphate Isomerase (1WYI)

8876

-59815.1

0.778

-65764.5

0.140

-63844.7

0.072

-63177.7

Triose Phosphate Isomerase (2YPI)

3778

-12327.5

1.678

-18690.9

0.193

-17524.2

0.113

-17058.2

Turkey egg white lysozyme (135L)

2283

-14460.9

0.767

-16094.1

0.124

-15656.6

0.069

-15528.3

Zinc-bundle (1EF4)

889

-2516.9

2.981

-3962.9

0.194

-3055.3

0.086

-2925.2

Zinc endoprotease (1C7K)

2278

-15963.2

0.998

-17553.5

0.124

-17003.1

0.065

-16873.1

Zinc Finger (2J7J)

1765

-12838.4

1.399

-14066.9

0.111

-13530.8

0.056

-13463.4

Zinc Finger (3ZNF)

494

-1349.1

2.016

-1902.2

0.153

-1789.6

0.083

-1737.7