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 2OQ13_1.PDB 4.05046 -17.83000 -4.38000 -4.35000 -12.05000 -5.67000 17.10000 -13.75000 0.73000 4.66000 3.98000 0.00000 0.00000 0.00000 0.11000 1.52000 -0.39000 -1.05000 0.00000 -2.77000 0.00000 2.38000 105.00000 2OQ13_2.PDB 3.43690 -19.02000 -4.61000 -3.54000 -12.84000 -6.19000 17.38000 -15.05000 0.67000 4.79000 4.76000 0.00000 0.00000 0.00000 0.10000 1.65000 -0.32000 -1.30000 0.00000 -2.87000 0.00000 2.38000 105.00000 2OQ13_3.PDB 3.38759 -18.83000 -4.58000 -4.28000 -12.79000 -5.50000 16.94000 -14.95000 0.66000 5.07000 4.62000 0.00000 0.00000 0.00000 0.12000 1.78000 -0.39000 -1.04000 0.00000 -2.68000 0.00000 2.38000 105.00000 2OQ13_4.PDB 3.92465 -18.24000 -4.56000 -3.70000 -13.21000 -5.80000 18.05000 -15.30000 0.42000 5.07000 4.93000 0.00000 0.00000 0.00000 0.20000 1.87000 -0.31000 -1.21000 0.00000 -2.81000 0.00000 2.38000 105.00000 2OQ13_5.PDB 3.51720 -17.86000 -4.66000 -3.69000 -12.51000 -5.71000 17.16000 -14.63000 0.63000 4.68000 4.39000 0.00000 0.00000 0.00000 0.12000 1.66000 -0.33000 -0.55000 0.00000 -2.78000 0.00000 2.38000 105.00000 2OQ13_6.PDB 3.64908 -18.18000 -4.60000 -4.37000 -12.73000 -5.41000 17.08000 -15.10000 0.68000 5.18000 4.68000 0.00000 0.00000 0.00000 0.22000 1.83000 -0.39000 -0.68000 0.00000 -2.76000 0.00000 2.38000 105.00000 2OQ13_7.PDB 3.12728 -18.72000 -4.28000 -4.24000 -12.37000 -5.91000 17.13000 -14.10000 1.08000 4.53000 3.90000 0.00000 0.00000 0.00000 0.12000 1.51000 -0.41000 -1.21000 0.00000 -2.97000 0.00000 2.38000 105.00000 2OQ13_8.PDB 3.32530 -18.62000 -4.38000 -4.14000 -12.23000 -5.73000 17.31000 -13.82000 0.60000 4.45000 3.95000 0.00000 0.00000 0.00000 0.08000 1.54000 -0.41000 -1.37000 0.00000 -2.93000 0.00000 2.38000 105.00000 2OQ13_9.PDB 3.32409 -18.66000 -4.43000 -3.56000 -12.27000 -6.01000 17.12000 -14.22000 0.41000 4.53000 4.25000 0.00000 0.00000 0.00000 0.12000 1.57000 -0.33000 -1.40000 0.00000 -2.86000 0.00000 2.38000 105.00000 2OQ13_10.PDB 3.67305 -17.74000 -3.50000 -3.44000 -12.26000 -5.73000 16.44000 -14.28000 0.61000 4.29000 4.33000 0.00000 0.00000 0.00000 0.13000 1.46000 -0.39000 -1.00000 0.00000 -2.94000 0.00000 2.38000 105.00000 2OQ13_11.PDB 3.52653 -15.34000 -4.64000 -3.62000 -12.17000 -5.67000 17.11000 -14.27000 0.46000 5.16000 6.71000 0.00000 0.00000 0.00000 0.25000 1.67000 -0.34000 -1.62000 0.00000 -2.68000 0.00000 2.38000 105.00000 2OQ13_12.PDB 3.98210 -14.48000 -4.32000 -3.72000 -11.66000 -5.81000 17.52000 -13.03000 0.42000 4.51000 5.73000 0.00000 0.00000 0.00000 0.10000 1.46000 -0.34000 -1.08000 0.00000 -2.81000 0.00000 2.38000 105.00000 2OQ13_13.PDB 3.42098 -17.09000 -3.51000 -3.33000 -11.80000 -5.66000 15.96000 -13.54000 0.69000 4.25000 4.09000 0.00000 0.00000 0.00000 0.08000 1.05000 -0.41000 -1.01000 0.00000 -2.90000 0.00000 2.38000 105.00000 2OQ13_14.PDB 4.37085 -18.38000 -4.69000 -4.30000 -12.71000 -5.50000 17.05000 -14.96000 0.75000 5.07000 4.72000 0.00000 0.00000 0.00000 0.18000 1.64000 -0.39000 -0.86000 0.00000 -2.76000 0.00000 2.38000 105.00000 2OQ13_15.PDB 3.20773 -15.22000 -3.81000 -3.09000 -12.60000 -5.85000 16.60000 -14.85000 0.40000 4.97000 7.07000 0.00000 0.00000 0.00000 0.10000 1.32000 -0.34000 -0.92000 0.00000 -2.89000 0.00000 2.38000 105.00000 2OQ13_16.PDB 3.31641 -13.35000 -3.33000 -2.12000 -12.48000 -5.75000 16.27000 -14.71000 0.70000 5.08000 6.86000 0.00000 0.00000 0.00000 0.09000 1.49000 -0.33000 -0.75000 0.00000 -2.88000 0.00000 2.38000 105.00000 2OQ13_17.PDB 3.32154 -13.86000 -4.37000 -3.28000 -11.53000 -5.68000 17.03000 -13.02000 0.43000 4.68000 6.00000 0.00000 0.00000 0.00000 0.09000 1.43000 -0.32000 -1.19000 0.00000 -2.71000 0.00000 2.38000 105.00000 2OQ13_18.PDB 3.86135 -16.66000 -3.43000 -2.54000 -12.09000 -6.15000 16.66000 -13.96000 0.40000 4.26000 4.53000 0.00000 0.00000 0.00000 0.13000 1.54000 -0.34000 -0.98000 0.00000 -3.15000 0.00000 2.38000 105.00000 2OQ13_19.PDB 3.23033 -17.41000 -4.28000 -3.62000 -11.74000 -6.05000 17.19000 -13.35000 0.52000 4.44000 3.69000 0.00000 0.00000 0.00000 0.10000 1.42000 -0.33000 -1.16000 0.00000 -2.83000 0.00000 2.38000 105.00000 2OQ13_20.PDB 3.75172 -18.44000 -4.47000 -4.27000 -12.18000 -5.82000 17.18000 -13.75000 0.60000 4.31000 3.89000 0.00000 0.00000 0.00000 0.22000 1.55000 -0.39000 -0.91000 0.00000 -2.85000 0.00000 2.38000 105.00000 2OQ13_21.PDB 3.89911 -17.90000 -4.35000 -4.11000 -12.17000 -5.67000 17.25000 -13.89000 0.58000 4.56000 3.92000 0.00000 0.00000 0.00000 0.25000 1.52000 -0.40000 -0.91000 0.00000 -2.97000 0.00000 2.38000 105.00000 2OQ13_22.PDB 3.48208 -18.27000 -4.71000 -3.96000 -12.68000 -5.94000 17.71000 -14.89000 0.63000 5.09000 4.72000 0.00000 0.00000 0.00000 0.16000 1.81000 -0.34000 -1.34000 0.00000 -2.73000 0.00000 2.38000 105.00000 2OQ13_23.PDB 3.45493 -19.14000 -3.77000 -3.46000 -13.67000 -5.73000 17.06000 -16.35000 0.80000 5.06000 5.04000 0.00000 0.00000 0.00000 0.12000 2.01000 -0.39000 -1.01000 0.00000 -2.85000 0.00000 2.38000 105.00000 2OQ13_24.PDB 3.52555 -18.24000 -4.32000 -4.20000 -12.07000 -5.42000 16.92000 -13.91000 0.71000 4.65000 3.75000 0.00000 0.00000 0.00000 0.11000 1.51000 -0.39000 -1.34000 0.00000 -2.74000 0.00000 2.38000 105.00000 2OQ13_25.PDB 3.14932 -13.13000 -3.42000 -2.48000 -10.82000 -4.05000 15.02000 -12.86000 0.39000 3.51000 4.94000 0.00000 0.00000 0.00000 0.06000 1.45000 -0.32000 -0.89000 0.00000 -2.21000 0.00000 2.38000 105.00000 2OQ13_26.PDB 3.62185 -18.87000 -4.48000 -4.35000 -12.75000 -5.79000 16.95000 -15.00000 0.61000 5.15000 4.74000 0.00000 0.00000 0.00000 0.11000 1.58000 -0.39000 -0.63000 0.00000 -3.05000 0.00000 2.38000 105.00000 2OQ13_27.PDB 4.08878 -18.33000 -4.39000 -3.92000 -12.03000 -4.77000 15.93000 -14.02000 0.55000 4.50000 3.95000 0.00000 0.00000 0.00000 0.15000 1.42000 -0.32000 -1.36000 0.00000 -2.61000 0.00000 2.38000 105.00000 2OQ13_28.PDB 3.35041 -18.55000 -4.69000 -3.81000 -13.17000 -5.49000 16.96000 -15.26000 1.86000 4.98000 5.06000 0.00000 0.00000 0.00000 0.10000 1.87000 -0.36000 -1.70000 0.00000 -3.03000 0.00000 2.38000 105.00000 2OQ13_29.PDB 3.18617 -16.96000 -3.55000 -2.85000 -11.99000 -6.34000 16.47000 -13.89000 0.50000 4.28000 4.38000 0.00000 0.00000 0.00000 0.14000 1.39000 -0.35000 -0.56000 0.00000 -3.22000 0.00000 2.38000 105.00000 2OQ13_30.PDB 3.62380 -17.51000 -3.86000 -3.13000 -13.21000 -6.11000 17.11000 -15.83000 0.73000 5.06000 5.56000 0.00000 0.00000 0.00000 0.16000 1.98000 -0.34000 -0.71000 0.00000 -2.94000 0.00000 2.38000 105.00000