name total energy Backbone Hbon 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 1OPK2_1.PDB -5.08000 -43.14000 -17.11000 -64.88000 -1.34000 79.86000 -83.56000 3.40000 34.71000 87.81000 0.00000 0.00000 0.00000 2.14000 22.33000 0.00000 -1.86000 0.00000 -1.11000 0.00000 0.00000 66.00000 1OPK2_2.PDB -3.72000 -43.12000 -17.08000 -66.53000 -1.35000 81.98000 -85.24000 3.45000 35.63000 89.12000 0.00000 0.00000 0.00000 2.20000 22.53000 0.00000 -1.66000 0.00000 -1.11000 0.00000 0.00000 66.00000 1OPK2_3.PDB -5.15000 -43.00000 -16.98000 -64.45000 -0.94000 79.21000 -83.33000 3.28000 34.19000 87.28000 0.00000 0.00000 0.00000 2.16000 22.44000 0.00000 -1.77000 0.00000 -0.78000 0.00000 0.00000 66.00000 1OPK2_4.PDB -4.94000 -43.19000 -17.16000 -65.14000 -1.28000 80.04000 -83.97000 3.53000 35.03000 87.86000 0.00000 0.00000 0.00000 2.01000 22.12000 0.00000 -1.68000 0.00000 -0.98000 0.00000 0.00000 66.00000 1OPK2_5.PDB -4.16000 -42.98000 -17.24000 -66.58000 -0.95000 81.79000 -85.67000 3.57000 35.54000 88.74000 0.00000 0.00000 0.00000 2.28000 22.63000 0.00000 -1.86000 0.00000 -0.78000 0.00000 0.00000 66.00000 1OPK2_6.PDB -5.88000 -43.87000 -17.85000 -65.25000 -1.34000 80.73000 -83.78000 3.24000 35.61000 87.44000 0.00000 0.00000 0.00000 2.13000 22.38000 0.00000 -1.81000 0.00000 -1.14000 0.00000 0.00000 66.00000 1OPK2_7.PDB -3.99000 -43.62000 -17.58000 -66.50000 -1.42000 82.12000 -85.26000 3.52000 36.19000 89.12000 0.00000 0.00000 0.00000 2.26000 22.49000 0.00000 -1.60000 0.00000 -1.21000 0.00000 0.00000 66.00000 1OPK2_8.PDB -4.29000 -43.13000 -17.10000 -66.77000 -0.85000 81.77000 -86.06000 3.32000 35.71000 88.96000 0.00000 0.00000 0.00000 2.17000 22.40000 0.00000 -1.73000 0.00000 -0.59000 0.00000 0.00000 66.00000 1OPK2_9.PDB -5.12000 -43.97000 -17.94000 -65.13000 -1.32000 80.72000 -83.57000 3.23000 35.67000 87.93000 0.00000 0.00000 0.00000 2.21000 22.36000 0.00000 -1.70000 0.00000 -1.25000 0.00000 0.00000 66.00000 1OPK2_10.PDB -3.48000 -43.13000 -17.05000 -67.07000 -1.37000 82.19000 -86.10000 3.67000 36.18000 89.76000 0.00000 0.00000 0.00000 2.32000 22.43000 0.00000 -1.65000 0.00000 -1.21000 0.00000 0.00000 66.00000 1OPK2_11.PDB -5.60000 -43.25000 -17.22000 -65.12000 -1.26000 79.96000 -84.04000 3.25000 35.08000 87.51000 0.00000 0.00000 0.00000 2.14000 22.11000 0.00000 -1.69000 0.00000 -0.96000 0.00000 0.00000 66.00000 1OPK2_12.PDB -5.42000 -43.11000 -17.08000 -65.43000 -1.48000 80.59000 -84.34000 3.25000 35.25000 87.56000 0.00000 0.00000 0.00000 2.14000 22.14000 0.00000 -1.65000 0.00000 -1.13000 0.00000 0.00000 66.00000 1OPK2_13.PDB -4.37000 -43.28000 -17.25000 -66.67000 -1.26000 81.89000 -85.76000 3.42000 36.17000 88.81000 0.00000 0.00000 0.00000 2.12000 22.25000 0.00000 -1.64000 0.00000 -0.93000 0.00000 0.00000 66.00000 1OPK2_14.PDB -4.52000 -43.15000 -17.11000 -66.99000 -0.99000 82.28000 -86.29000 3.51000 35.76000 88.68000 0.00000 0.00000 0.00000 2.12000 22.41000 0.00000 -1.62000 0.00000 -0.71000 0.00000 0.00000 66.00000 1OPK2_15.PDB -4.08000 -43.60000 -17.56000 -66.25000 -1.40000 81.81000 -84.93000 3.31000 36.19000 89.17000 0.00000 0.00000 0.00000 2.33000 22.54000 0.00000 -1.94000 0.00000 -1.21000 0.00000 0.00000 66.00000 1OPK2_16.PDB -4.96000 -43.98000 -17.95000 -64.75000 -1.22000 80.27000 -83.17000 3.50000 35.63000 87.52000 0.00000 0.00000 0.00000 2.23000 22.36000 0.00000 -1.87000 0.00000 -1.16000 0.00000 0.00000 66.00000 1OPK2_17.PDB -3.61000 -43.22000 -17.18000 -66.74000 -0.74000 81.99000 -85.79000 3.61000 35.42000 89.10000 0.00000 0.00000 0.00000 2.22000 22.67000 0.00000 -1.68000 0.00000 -0.60000 0.00000 0.00000 66.00000 1OPK2_18.PDB -5.21000 -43.72000 -17.73000 -64.73000 -1.49000 80.80000 -83.32000 3.28000 34.83000 87.76000 0.00000 0.00000 0.00000 1.96000 22.33000 0.00000 -1.65000 0.00000 -1.20000 0.00000 0.00000 66.00000 1OPK2_19.PDB -3.03000 -43.11000 -18.69000 -66.50000 -1.43000 83.24000 -84.83000 3.54000 36.80000 88.99000 0.00000 0.00000 0.00000 2.31000 22.24000 0.00000 -2.09000 0.00000 -1.26000 0.00000 0.00000 66.00000 1OPK2_20.PDB -5.63000 -43.26000 -17.22000 -64.62000 -1.40000 79.60000 -83.33000 3.20000 34.62000 87.64000 0.00000 0.00000 0.00000 2.13000 22.33000 0.00000 -1.79000 0.00000 -1.20000 0.00000 0.00000 66.00000 1OPK2_21.PDB -5.16000 -43.15000 -17.12000 -65.22000 -1.37000 80.25000 -83.99000 3.50000 34.77000 87.87000 0.00000 0.00000 0.00000 1.97000 22.11000 0.00000 -1.67000 0.00000 -1.00000 0.00000 0.00000 66.00000 1OPK2_22.PDB -5.33000 -43.22000 -17.20000 -64.38000 -1.06000 79.05000 -83.24000 3.33000 34.53000 87.35000 0.00000 0.00000 0.00000 2.08000 22.38000 0.00000 -1.68000 0.00000 -0.89000 0.00000 0.00000 66.00000 1OPK2_23.PDB -3.65000 -43.26000 -17.23000 -66.34000 -0.93000 82.01000 -85.13000 3.31000 35.49000 88.67000 0.00000 0.00000 0.00000 2.16000 22.65000 0.00000 -1.69000 0.00000 -0.72000 0.00000 0.00000 66.00000 1OPK2_24.PDB -2.67000 -43.22000 -17.16000 -66.07000 -1.28000 82.10000 -84.45000 3.59000 35.60000 88.93000 0.00000 0.00000 0.00000 2.13000 22.36000 0.00000 -1.83000 0.00000 -1.01000 0.00000 0.00000 66.00000 1OPK2_25.PDB -4.55000 -42.45000 -16.75000 -67.58000 -0.91000 82.47000 -87.14000 3.52000 35.56000 88.94000 0.00000 0.00000 0.00000 2.23000 22.45000 0.00000 -1.81000 0.00000 -0.63000 0.00000 0.00000 66.00000 1OPK2_26.PDB -4.90000 -43.33000 -17.31000 -64.69000 -0.88000 79.53000 -83.36000 3.38000 34.44000 87.45000 0.00000 0.00000 0.00000 2.37000 22.46000 0.00000 -1.72000 0.00000 -0.78000 0.00000 0.00000 66.00000 1OPK2_27.PDB -4.84000 -43.12000 -17.10000 -64.79000 -1.38000 80.02000 -83.39000 3.46000 34.71000 87.46000 0.00000 0.00000 0.00000 2.05000 22.33000 0.00000 -1.66000 0.00000 -1.10000 0.00000 0.00000 66.00000 1OPK2_28.PDB -3.25000 -43.03000 -18.69000 -66.44000 -1.50000 82.87000 -84.72000 3.70000 36.78000 88.91000 0.00000 0.00000 0.00000 2.34000 22.24000 0.00000 -2.17000 0.00000 -1.28000 0.00000 0.00000 66.00000 1OPK2_29.PDB -5.15000 -43.13000 -17.10000 -64.90000 -1.48000 79.91000 -83.55000 3.25000 34.77000 88.07000 0.00000 0.00000 0.00000 2.08000 22.33000 0.00000 -1.77000 0.00000 -1.29000 0.00000 0.00000 66.00000 1OPK2_30.PDB -5.12000 -43.27000 -17.24000 -64.75000 -0.79000 79.63000 -83.65000 3.31000 34.59000 87.29000 0.00000 0.00000 0.00000 1.96000 22.23000 0.00000 -1.69000 0.00000 -0.51000 0.00000 0.00000 66.00000