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 |