name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds 2PKU2_1.PDB 4.08330 -11.88000 -5.77000 -0.23000 -10.82000 -1.44000 12.31000 -15.41000 1.10000 6.44000 3.14000 0.00000 0.00000 0.00000 0.27000 1.14000 -0.16000 -0.60000 0.00000 -0.72000 0.00000 2.38000 92.00000 2PKU2_2.PDB 3.96846 -9.97000 -5.67000 -0.23000 -10.78000 -1.02000 13.29000 -15.16000 0.95000 5.92000 3.33000 0.00000 0.00000 0.00000 0.30000 1.11000 -0.11000 -0.53000 0.00000 -0.26000 0.00000 2.38000 92.00000 2PKU2_3.PDB 4.26754 -11.59000 -5.71000 -0.23000 -10.62000 -1.30000 12.09000 -15.17000 1.13000 6.04000 3.16000 0.00000 0.00000 0.00000 0.24000 1.29000 -0.15000 -0.48000 0.00000 -0.59000 0.00000 2.38000 92.00000 2PKU2_4.PDB 4.12862 -11.39000 -5.72000 -0.22000 -10.25000 -0.99000 11.50000 -14.73000 1.05000 5.51000 3.11000 0.00000 0.00000 0.00000 0.26000 1.24000 -0.11000 -0.58000 0.00000 -0.22000 0.00000 2.38000 92.00000 2PKU2_5.PDB 4.04973 -12.47000 -5.68000 -1.08000 -10.72000 -1.44000 12.39000 -15.34000 1.04000 6.45000 3.07000 0.00000 0.00000 0.00000 0.27000 1.32000 -0.18000 -0.61000 0.00000 -0.63000 0.00000 2.38000 92.00000 2PKU2_6.PDB 4.44443 -11.43000 -5.65000 -0.23000 -10.61000 -0.98000 11.91000 -15.20000 1.21000 5.83000 2.97000 0.00000 0.00000 0.00000 0.21000 1.33000 -0.11000 -0.57000 0.00000 -0.22000 0.00000 2.38000 92.00000 2PKU2_7.PDB 4.31448 -11.36000 -5.69000 -0.23000 -10.25000 -1.05000 11.91000 -14.60000 0.97000 5.48000 2.74000 0.00000 0.00000 0.00000 0.24000 1.28000 -0.12000 -0.46000 0.00000 -0.31000 0.00000 2.38000 92.00000 2PKU2_8.PDB 4.50933 -12.68000 -5.68000 -0.97000 -10.54000 -1.49000 12.15000 -15.08000 0.81000 6.23000 3.11000 0.00000 0.00000 0.00000 0.31000 1.32000 -0.17000 -0.66000 0.00000 -0.69000 0.00000 2.38000 92.00000 2PKU2_9.PDB 4.21135 -11.44000 -5.65000 -0.23000 -9.66000 -1.02000 10.74000 -14.16000 1.02000 5.22000 3.00000 0.00000 0.00000 0.00000 0.28000 0.86000 -0.11000 -0.60000 0.00000 -0.27000 0.00000 2.38000 92.00000 2PKU2_10.PDB 4.19834 -10.88000 -5.71000 -0.23000 -9.97000 -1.33000 11.83000 -14.09000 1.06000 5.70000 2.94000 0.00000 0.00000 0.00000 0.25000 1.19000 -0.15000 -0.57000 0.00000 -0.61000 0.00000 2.38000 92.00000 2PKU2_11.PDB 4.07828 -11.12000 -5.70000 -0.23000 -10.41000 -1.03000 11.89000 -14.91000 1.17000 5.64000 3.12000 0.00000 0.00000 0.00000 0.26000 1.17000 -0.11000 -0.52000 0.00000 -0.28000 0.00000 2.38000 92.00000 2PKU2_12.PDB 3.45243 -11.06000 -5.71000 -1.03000 -10.00000 -1.37000 11.77000 -14.15000 1.06000 6.51000 3.01000 0.00000 0.00000 0.00000 0.27000 1.17000 -0.17000 -0.60000 0.00000 -0.64000 0.00000 2.38000 92.00000 2PKU2_13.PDB 4.11411 -11.67000 -5.69000 -0.23000 -10.47000 -1.05000 11.85000 -14.98000 0.81000 5.70000 2.95000 0.00000 0.00000 0.00000 0.31000 1.32000 -0.12000 -0.45000 0.00000 -0.31000 0.00000 2.38000 92.00000 2PKU2_14.PDB 4.14143 -10.98000 -5.65000 -0.23000 -10.26000 -1.24000 12.32000 -14.70000 1.01000 5.52000 3.27000 0.00000 0.00000 0.00000 0.27000 1.19000 -0.16000 -0.60000 0.00000 -0.55000 0.00000 2.38000 92.00000 2PKU2_15.PDB 3.76562 -9.79000 -5.65000 -0.23000 -10.54000 -0.98000 12.86000 -15.09000 1.85000 5.50000 3.14000 0.00000 0.00000 0.00000 0.17000 1.25000 -0.11000 -0.47000 0.00000 -0.22000 0.00000 2.38000 92.00000 2PKU2_16.PDB 3.48230 -11.04000 -5.63000 -0.23000 -10.40000 -1.28000 12.44000 -14.98000 1.06000 5.77000 3.31000 0.00000 0.00000 0.00000 0.24000 1.13000 -0.15000 -0.59000 0.00000 -0.57000 0.00000 2.38000 92.00000 2PKU2_17.PDB 3.35371 -11.00000 -5.73000 -0.23000 -9.87000 -1.01000 11.27000 -14.05000 1.11000 5.34000 2.82000 0.00000 0.00000 0.00000 0.27000 1.26000 -0.11000 -0.55000 0.00000 -0.25000 0.00000 2.38000 92.00000 2PKU2_18.PDB 3.50297 -11.96000 -5.68000 -1.06000 -10.15000 -1.45000 12.17000 -14.32000 0.97000 6.01000 2.91000 0.00000 0.00000 0.00000 0.26000 1.28000 -0.18000 -0.78000 0.00000 -0.64000 0.00000 2.38000 92.00000 2PKU2_19.PDB 3.60644 -10.06000 -5.73000 -0.23000 -9.89000 -1.02000 11.21000 -14.23000 2.03000 5.36000 3.09000 0.00000 0.00000 0.00000 0.19000 1.22000 -0.11000 -0.45000 0.00000 -0.27000 0.00000 2.38000 92.00000 2PKU2_20.PDB 3.45005 -12.05000 -5.67000 -0.97000 -9.94000 -1.48000 11.75000 -14.10000 1.10000 5.79000 2.84000 0.00000 0.00000 0.00000 0.24000 1.28000 -0.17000 -0.76000 0.00000 -0.68000 0.00000 2.38000 92.00000 2PKU2_21.PDB 3.73164 -10.98000 -5.74000 -0.23000 -9.84000 -1.04000 11.60000 -13.94000 1.11000 5.30000 2.50000 0.00000 0.00000 0.00000 0.24000 1.16000 -0.12000 -0.52000 0.00000 -0.31000 0.00000 2.38000 92.00000 2PKU2_22.PDB 3.75864 -10.76000 -5.66000 -0.23000 -10.32000 -0.99000 12.13000 -14.80000 0.91000 5.54000 3.19000 0.00000 0.00000 0.00000 0.34000 1.23000 -0.11000 -0.55000 0.00000 -0.22000 0.00000 2.38000 92.00000 2PKU2_23.PDB 3.89267 -10.80000 -5.60000 -1.07000 -10.52000 -1.45000 12.88000 -15.13000 1.94000 6.18000 3.18000 0.00000 0.00000 0.00000 0.25000 1.15000 -0.18000 -0.62000 0.00000 -0.64000 0.00000 2.38000 92.00000 2PKU2_24.PDB 3.78484 -11.36000 -5.60000 -0.23000 -10.67000 -0.98000 12.31000 -15.46000 1.04000 5.76000 3.13000 0.00000 0.00000 0.00000 0.26000 1.23000 -0.11000 -0.58000 0.00000 -0.22000 0.00000 2.38000 92.00000 2PKU2_25.PDB 3.67160 -10.66000 -5.63000 -0.22000 -10.07000 -1.05000 12.23000 -14.41000 1.10000 5.26000 2.84000 0.00000 0.00000 0.00000 0.24000 1.23000 -0.12000 -0.49000 0.00000 -0.31000 0.00000 2.38000 92.00000 2PKU2_26.PDB 3.84671 -10.31000 -5.57000 -0.97000 -9.94000 -1.48000 12.85000 -13.96000 1.21000 5.67000 3.18000 0.00000 0.00000 0.00000 0.23000 1.17000 -0.17000 -0.68000 0.00000 -0.68000 0.00000 2.38000 92.00000 2PKU2_27.PDB 3.63264 -9.71000 -5.66000 -0.23000 -9.22000 -1.02000 10.73000 -13.39000 1.85000 4.86000 2.96000 0.00000 0.00000 0.00000 0.25000 0.71000 -0.11000 -0.45000 0.00000 -0.27000 0.00000 2.38000 92.00000 2PKU2_28.PDB 4.22484 -10.73000 -6.44000 -0.85000 -10.55000 -1.46000 13.03000 -14.56000 1.71000 6.46000 3.03000 0.00000 0.00000 0.00000 0.28000 1.12000 -0.16000 -0.48000 0.00000 -0.73000 0.00000 2.38000 92.00000 2PKU2_29.PDB 3.97330 -11.22000 -5.68000 -0.23000 -9.85000 -1.05000 11.38000 -14.07000 1.14000 5.24000 2.74000 0.00000 0.00000 0.00000 0.25000 1.29000 -0.12000 -0.65000 0.00000 -0.31000 0.00000 2.38000 92.00000 2PKU2_30.PDB 4.95572 -10.77000 -6.26000 -0.74000 -10.54000 -1.00000 12.59000 -14.84000 1.90000 5.79000 2.80000 0.00000 0.00000 0.00000 0.18000 1.21000 -0.11000 -0.30000 0.00000 -0.24000 0.00000 2.38000 92.00000