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 1OPL3_1.PDB -5.78000 -44.57000 -19.66000 -69.60000 -1.17000 83.05000 -89.78000 5.77000 38.84000 92.49000 0.00000 0.00000 0.00000 1.87000 23.67000 0.00000 -2.13000 0.00000 -0.90000 0.00000 0.00000 71.00000 1OPL3_2.PDB -5.96000 -44.62000 -19.68000 -70.17000 -1.08000 83.59000 -90.45000 5.83000 39.05000 92.68000 0.00000 0.00000 0.00000 1.91000 23.84000 0.00000 -2.19000 0.00000 -0.83000 0.00000 0.00000 71.00000 1OPL3_3.PDB -5.27000 -44.13000 -19.37000 -69.26000 -1.15000 82.56000 -89.17000 5.92000 38.10000 92.43000 0.00000 0.00000 0.00000 1.95000 23.72000 0.00000 -2.26000 0.00000 -0.88000 0.00000 0.00000 71.00000 1OPL3_4.PDB -3.89000 -43.96000 -19.03000 -69.00000 -1.23000 82.11000 -88.93000 6.91000 37.90000 92.50000 0.00000 0.00000 0.00000 1.98000 23.96000 0.00000 -2.05000 0.00000 -1.07000 0.00000 0.00000 71.00000 1OPL3_5.PDB -6.09000 -44.98000 -21.57000 -69.90000 -1.18000 83.57000 -90.08000 5.93000 40.16000 93.14000 0.00000 0.00000 0.00000 1.91000 23.80000 0.00000 -2.09000 0.00000 -1.01000 0.00000 0.00000 71.00000 1OPL3_6.PDB -5.06000 -44.22000 -19.43000 -69.12000 -1.14000 82.58000 -89.01000 6.07000 37.94000 92.35000 0.00000 0.00000 0.00000 1.97000 23.81000 0.00000 -2.19000 0.00000 -0.87000 0.00000 0.00000 71.00000 1OPL3_7.PDB -4.05000 -43.96000 -18.94000 -68.58000 -1.36000 82.00000 -88.31000 6.07000 37.46000 92.65000 0.00000 0.00000 0.00000 2.05000 24.04000 0.00000 -2.04000 0.00000 -1.10000 0.00000 0.00000 71.00000 1OPL3_8.PDB -4.48000 -44.05000 -19.12000 -68.80000 -0.81000 82.11000 -88.91000 5.89000 37.52000 92.39000 0.00000 0.00000 0.00000 2.12000 24.05000 0.00000 -2.12000 0.00000 -0.69000 0.00000 0.00000 71.00000 1OPL3_9.PDB -4.19000 -43.86000 -18.90000 -68.67000 -1.32000 82.05000 -88.56000 6.16000 37.66000 92.44000 0.00000 0.00000 0.00000 2.05000 23.97000 0.00000 -2.10000 0.00000 -1.14000 0.00000 0.00000 71.00000 1OPL3_10.PDB -5.04000 -44.15000 -19.15000 -69.71000 -0.84000 82.14000 -90.30000 6.63000 38.31000 92.98000 0.00000 0.00000 0.00000 1.93000 23.85000 0.00000 -2.17000 0.00000 -0.70000 0.00000 0.00000 71.00000 1OPL3_11.PDB -5.32000 -44.78000 -20.02000 -69.37000 -1.14000 82.91000 -89.34000 5.65000 38.75000 93.05000 0.00000 0.00000 0.00000 1.89000 23.73000 0.00000 -2.07000 0.00000 -0.86000 0.00000 0.00000 71.00000 1OPL3_12.PDB -5.56000 -45.21000 -20.25000 -69.13000 -1.35000 82.90000 -88.85000 5.21000 38.94000 93.57000 0.00000 0.00000 0.00000 2.02000 24.00000 0.00000 -2.25000 0.00000 -1.16000 0.00000 0.00000 71.00000 1OPL3_13.PDB -3.64000 -44.13000 -19.18000 -68.34000 -1.05000 81.56000 -88.19000 6.77000 37.46000 92.66000 0.00000 0.00000 0.00000 1.85000 23.82000 0.00000 -2.08000 0.00000 -0.97000 0.00000 0.00000 71.00000 1OPL3_14.PDB -4.73000 -44.00000 -19.01000 -69.98000 -1.36000 82.74000 -90.58000 6.34000 38.89000 93.35000 0.00000 0.00000 0.00000 2.19000 23.64000 0.00000 -2.22000 0.00000 -1.10000 0.00000 0.00000 71.00000 1OPL3_15.PDB -4.65000 -44.10000 -20.61000 -69.62000 -1.19000 82.83000 -89.89000 6.25000 39.36000 93.32000 0.00000 0.00000 0.00000 1.94000 23.89000 0.00000 -1.99000 0.00000 -0.97000 0.00000 0.00000 71.00000 1OPL3_16.PDB -4.01000 -44.16000 -19.18000 -69.71000 -1.17000 82.71000 -89.91000 6.53000 38.51000 93.47000 0.00000 0.00000 0.00000 2.11000 23.89000 0.00000 -2.15000 0.00000 -1.07000 0.00000 0.00000 71.00000 1OPL3_17.PDB -5.04000 -44.32000 -19.23000 -69.20000 -1.33000 82.25000 -89.64000 6.24000 38.34000 92.86000 0.00000 0.00000 0.00000 2.29000 23.58000 0.00000 -2.20000 0.00000 -1.09000 0.00000 0.00000 71.00000 1OPL3_18.PDB -4.73000 -44.52000 -19.54000 -68.95000 -1.23000 83.04000 -88.75000 6.04000 38.19000 92.27000 0.00000 0.00000 0.00000 1.96000 23.97000 0.00000 -2.17000 0.00000 -1.06000 0.00000 0.00000 71.00000 1OPL3_19.PDB -5.16000 -43.99000 -18.98000 -68.28000 -1.20000 81.64000 -88.06000 5.02000 37.48000 92.54000 0.00000 0.00000 0.00000 1.93000 23.84000 0.00000 -2.15000 0.00000 -1.10000 0.00000 0.00000 71.00000 1OPL3_20.PDB -5.22000 -44.59000 -19.64000 -69.39000 -1.17000 82.75000 -89.38000 5.65000 38.32000 93.44000 0.00000 0.00000 0.00000 1.90000 24.04000 0.00000 -2.03000 0.00000 -1.06000 0.00000 0.00000 71.00000 1OPL3_21.PDB -5.07000 -44.22000 -19.20000 -69.48000 -1.09000 82.22000 -89.92000 6.61000 38.31000 92.87000 0.00000 0.00000 0.00000 1.90000 23.65000 0.00000 -2.16000 0.00000 -0.92000 0.00000 0.00000 71.00000 1OPL3_22.PDB -6.43000 -44.04000 -19.02000 -69.26000 -1.34000 82.25000 -89.58000 5.00000 38.19000 92.90000 0.00000 0.00000 0.00000 1.93000 23.60000 0.00000 -2.38000 0.00000 -1.08000 0.00000 0.00000 71.00000 1OPL3_23.PDB -5.36000 -44.05000 -19.03000 -69.34000 -1.29000 82.16000 -89.74000 5.96000 38.16000 93.06000 0.00000 0.00000 0.00000 2.02000 23.61000 0.00000 -2.24000 0.00000 -1.03000 0.00000 0.00000 71.00000 1OPL3_24.PDB -4.09000 -44.72000 -19.75000 -68.76000 -1.25000 82.48000 -88.60000 6.09000 38.21000 93.40000 0.00000 0.00000 0.00000 1.92000 23.91000 0.00000 -2.02000 0.00000 -1.08000 0.00000 0.00000 71.00000 1OPL3_25.PDB -5.52000 -44.00000 -19.01000 -68.66000 -1.30000 82.12000 -88.65000 5.09000 37.52000 92.50000 0.00000 0.00000 0.00000 2.07000 23.90000 0.00000 -2.10000 0.00000 -1.11000 0.00000 0.00000 71.00000 1OPL3_26.PDB -4.11000 -44.49000 -19.57000 -68.76000 -1.18000 82.85000 -88.44000 5.98000 38.26000 92.51000 0.00000 0.00000 0.00000 1.94000 23.92000 0.00000 -2.17000 0.00000 -1.04000 0.00000 0.00000 71.00000 1OPL3_27.PDB -4.07000 -44.52000 -19.61000 -69.15000 -1.03000 83.30000 -88.86000 6.04000 38.40000 92.44000 0.00000 0.00000 0.00000 2.04000 23.95000 0.00000 -2.17000 0.00000 -0.95000 0.00000 0.00000 71.00000 1OPL3_28.PDB -4.26000 -44.41000 -19.49000 -69.04000 -1.19000 83.18000 -88.77000 6.05000 38.38000 92.29000 0.00000 0.00000 0.00000 1.94000 23.95000 0.00000 -2.15000 0.00000 -1.05000 0.00000 0.00000 71.00000 1OPL3_29.PDB -4.58000 -44.07000 -19.07000 -68.96000 -1.21000 82.08000 -88.99000 6.08000 37.99000 92.75000 0.00000 0.00000 0.00000 2.07000 23.85000 0.00000 -2.15000 0.00000 -1.11000 0.00000 0.00000 71.00000 1OPL3_30.PDB -5.72000 -44.80000 -19.84000 -69.15000 -0.99000 82.74000 -89.22000 5.24000 38.54000 92.86000 0.00000 0.00000 0.00000 1.84000 23.51000 0.00000 -2.17000 0.00000 -0.78000 0.00000 0.00000 71.00000