Proteins calculated using PM6-ORG, PM6-D3H4, and PM7

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Protein  PDB Geometry of System Clashscore Volume (Å3) % Volume change RMS (Å) PDB
PDB PM6-ORG PM6-D3H4 PM7 PDB PM6-ORG PM6-D3H4 PM7 PDB PM6-ORG PM6-D3H4 PM7 PM6-ORG PM6-D3H4 PM7 PM6-ORG PM6-D3H4 PM7
Crambin 4FC1 Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 0.00 6.23 28.04 21.81 6786.5 6315.1 6353.6 6308.7 -6.95 -6.38 -7.04 0.797 0.537 0.526 4FC1
Acyl‑Coenzyme A 7DES Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 5.40 6.08 27.01 20.93 15285.3 14218.4 14561.0 14360.9 -6.98 -4.74 -6.05 0.771 0.649 0.605 7DES
Barnase 1A2P Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 1.18 7.06 32.94 27.06 18241.7 16778.6 17323.4 16625.7 -8.02 -5.03 -8.86 0.857 0.669 0.740 1A2P
Zinc finger domain of KLF4 2WBS Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 5.02 5.74 38.74 29.41 15048.6 14547.3 14575.3 14230.7 -3.33 -3.15 -5.44 0.816 1.215 1.117 2WBS
Zinc endoprotease 1C7K Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 1.04 8.80 41.95 27.96 20168.7 18400.7 18666.2 18231.1 -8.77 -7.45 -9.61 0.990 0.742 0.741 1C7K
Apoptosis inhibitor 7PDJ Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 7.61 2.00 26.04 26.44 22983.7 21646.9 21360.2 20600.4 -5.82 -7.06 -10.37 1.033 1.080 1.409 7PDJ
Human hemoglobin, chain A 5WOH Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 4.22 2.81 33.30 26.27 23364.4 22094.3 21164.0 21364.8 -5.44 -9.42 -8.56 0.686 0.588 0.736 5WOH
Flavodoxin 5WID Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 4.75 3.89 39.31 31.53 24405.7 22733.7 22517.1 22133.7 -6.85 -7.74 -9.31 0.637 0.587 0.681 5WID
Rab6 1D5C Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 9.73 3.74 31.45 31.07 24754.3 23104.4 23837.4 23221.9 -6.66 -3.70 -6.19 0.863 0.788 0.802 1D5C
Adenylyltransferase 1O6B Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 13.61 4.29 41.60 31.88 25493.4 25389.6 24945.2 24128.8 -0.41 -2.15 -5.35 1.106 0.918 1.075 1O6B
Calcium binding domain 1UOW Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 11.91 5.16 42.49 36.54 25911.8 24313.1 25168.6 24037.7 -6.17 -2.87 -7.23 0.821 0.634 0.808 1UOW
Magnesium loaded ALG‑2 5JJG Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 2.17 3.97 27.43 17.32 26510.9 25240.4 25618.9 25173.6 -4.79 -3.36 -5.04 0.879 0.802 0.809 5JJG
Peridinin‑chlorophyll 2X20 Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 8.14 5.43 33.23 31.88 29872.0 28131.1 28381.1 27120.9 -5.83 -4.99 -9.21 0.825 0.736 0.959 2X20
Green Fluorescent Protein 5WJ2 Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 9.47 5.96 36.82 32.49 38188.3 34909.1 35385.9 31180.0 -7.98 -4.13 -7.62 0.828 0.642 0.801 5WJ2
Bacteriorhodopsin 5ZIM Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 12.64 2.67 23.58 29.42 35477.6 32632.8 33303.7 32610.7 -8.02 -6.13 -8.08 0.934 0.958 1.045 5ZIM
Chymotrypsin 5J4Q Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 9.21 5.61 34.83 28.31 33660.4 31558.5 32377.9 31489.5 -6.24 -3.81 -6.45 0.951 0.970 1.168 5J4Q
3CLpro 7JUN Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 2.35 5.77 30.34 28.20 40672.1 38941.1 39270.3 38236.4 -4.26 -3.45 -5.99 1.108 0.910 1.224 7JUN
Potassium channel 1JVM Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 25.92 2.96 23.83 29.40 49257.5 46880.1 47054.0 45786.5 -4.83 -4.47 -7.05 1.765 1.036 1.146 1JVM
P450 7TTP Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 3.12 5.70 33.81 27.38 52059.7 48486.0 48745.9 47287.4 -6.86 -6.37 -9.17 1.121 0.933 1.040 7TTP
Sodium channel pore  4CBC Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 14.81 0.00 24.53 32.92 53356.2 53313.4 50913.6 49213.1 -0.08 -4.58 -7.76 1.220 0.997 1.736 4CBC
Transcobalamin 2V3N Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB Jmol  ARC PDB 4.69 5.30 28.00 33.91 62041.7 57107.4 58339.2 56698.8 -7.95 -5.97 -8.61 1.094 1.029 1.113 2V3N
                          Averages: 7.48 4.72 32.41 28.76       Averages: -5.80 -5.13 -7.60 0.964 0.830 0.966