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 PIN3_1ZX6-2_1.PDB -6.05000 -50.05000 -18.28000 -68.81000 -3.22000 89.31000 -86.91000 3.15000 40.80000 89.26000 0.00000 0.00000 0.00000 4.91000 17.39000 0.00000 -3.96000 0.00000 -2.26000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_2.PDB -6.63000 -50.57000 -16.19000 -68.64000 -3.88000 90.35000 -86.95000 3.54000 39.64000 89.85000 0.00000 0.00000 0.00000 2.73000 17.40000 0.00000 -3.81000 0.00000 -2.68000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_3.PDB -5.77000 -49.60000 -16.98000 -68.95000 -3.27000 89.59000 -87.19000 2.56000 40.17000 90.53000 0.00000 0.00000 0.00000 3.93000 17.38000 0.00000 -4.22000 0.00000 -2.32000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_4.PDB -7.04000 -49.71000 -16.96000 -69.08000 -3.76000 90.34000 -87.31000 3.56000 40.55000 89.29000 0.00000 0.00000 0.00000 2.42000 17.38000 0.00000 -3.66000 0.00000 -2.73000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_5.PDB -4.06000 -47.87000 -15.27000 -68.08000 -2.45000 86.14000 -87.17000 3.36000 39.20000 88.88000 0.00000 0.00000 0.00000 3.38000 17.35000 0.00000 -2.68000 0.00000 -1.49000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_6.PDB -5.60000 -47.82000 -14.28000 -69.14000 -3.37000 89.51000 -87.33000 2.54000 38.07000 88.54000 0.00000 0.00000 0.00000 4.08000 17.38000 0.00000 -4.16000 0.00000 -2.24000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_7.PDB -4.37000 -49.62000 -18.42000 -68.38000 -3.13000 89.11000 -86.52000 3.91000 40.87000 90.10000 0.00000 0.00000 0.00000 2.64000 17.31000 0.00000 -3.22000 0.00000 -1.72000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_8.PDB -8.01000 -50.21000 -18.53000 -69.04000 -4.55000 89.34000 -87.48000 4.47000 40.99000 88.93000 0.00000 0.00000 0.00000 3.47000 17.53000 0.00000 -3.48000 0.00000 -1.93000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_9.PDB -6.32000 -50.38000 -16.35000 -68.67000 -2.96000 88.50000 -87.22000 3.03000 40.48000 90.56000 0.00000 0.00000 0.00000 2.70000 17.68000 0.00000 -4.21000 0.00000 -1.83000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_10.PDB -4.62000 -49.88000 -15.80000 -69.16000 -2.60000 88.52000 -87.81000 3.71000 40.28000 90.55000 0.00000 0.00000 0.00000 2.66000 17.76000 0.00000 -3.29000 0.00000 -1.80000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_11.PDB -4.64000 -49.59000 -14.91000 -69.82000 -3.06000 89.73000 -88.43000 2.84000 40.22000 89.57000 0.00000 0.00000 0.00000 4.17000 17.45000 0.00000 -3.61000 0.00000 -1.76000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_12.PDB -8.21000 -50.25000 -15.39000 -69.13000 -4.56000 89.21000 -87.43000 3.53000 38.15000 88.91000 0.00000 0.00000 0.00000 4.28000 17.72000 0.00000 -3.41000 0.00000 -2.10000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_13.PDB -3.82000 -49.60000 -18.53000 -69.05000 -2.99000 89.55000 -87.23000 5.09000 41.46000 90.27000 0.00000 0.00000 0.00000 2.74000 17.50000 0.00000 -3.62000 0.00000 -1.92000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_14.PDB -7.66000 -48.73000 -17.53000 -68.44000 -3.52000 87.08000 -87.28000 3.60000 39.56000 89.32000 0.00000 0.00000 0.00000 3.05000 17.61000 0.00000 -3.20000 0.00000 -1.57000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_15.PDB -7.46000 -49.54000 -19.39000 -68.17000 -4.29000 88.04000 -86.62000 3.64000 41.19000 89.97000 0.00000 0.00000 0.00000 2.90000 17.55000 0.00000 -3.34000 0.00000 -1.84000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_16.PDB -7.16000 -49.64000 -15.21000 -69.20000 -3.00000 89.06000 -87.76000 3.61000 38.95000 89.38000 0.00000 0.00000 0.00000 2.55000 17.56000 0.00000 -3.91000 0.00000 -1.98000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_17.PDB -7.99000 -50.91000 -15.31000 -68.84000 -4.54000 89.90000 -87.26000 3.68000 39.10000 89.79000 0.00000 0.00000 0.00000 2.84000 17.61000 0.00000 -4.15000 0.00000 -2.29000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_18.PDB -5.25000 -49.38000 -14.45000 -68.46000 -4.10000 88.01000 -86.90000 3.80000 39.21000 89.50000 0.00000 0.00000 0.00000 2.85000 17.53000 0.00000 -3.01000 0.00000 -2.32000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_19.PDB -7.92000 -49.57000 -18.81000 -69.99000 -4.94000 91.21000 -88.24000 3.77000 41.34000 89.85000 0.00000 0.00000 0.00000 3.33000 17.64000 0.00000 -3.45000 0.00000 -2.43000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_20.PDB -5.95000 -50.13000 -15.65000 -68.78000 -2.89000 89.43000 -87.07000 3.38000 38.87000 89.01000 0.00000 0.00000 0.00000 3.19000 17.64000 0.00000 -3.44000 0.00000 -1.86000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_21.PDB -6.91000 -50.24000 -17.33000 -69.69000 -2.76000 89.87000 -88.32000 2.96000 40.71000 90.81000 0.00000 0.00000 0.00000 3.16000 17.57000 0.00000 -4.22000 0.00000 -1.85000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_22.PDB -7.11000 -49.66000 -16.70000 -68.33000 -3.24000 88.38000 -86.91000 3.61000 39.55000 89.39000 0.00000 0.00000 0.00000 2.91000 17.25000 0.00000 -3.78000 0.00000 -2.33000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_23.PDB -7.98000 -51.06000 -16.32000 -69.41000 -3.19000 89.83000 -87.92000 3.03000 39.57000 90.46000 0.00000 0.00000 0.00000 3.00000 17.44000 0.00000 -3.86000 0.00000 -2.12000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_24.PDB -7.30000 -49.27000 -17.18000 -68.98000 -3.17000 89.13000 -87.20000 2.94000 39.14000 90.49000 0.00000 0.00000 0.00000 3.24000 17.54000 0.00000 -4.39000 0.00000 -2.06000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_25.PDB -6.34000 -47.96000 -14.48000 -69.06000 -3.17000 87.28000 -88.10000 3.64000 38.74000 88.71000 0.00000 0.00000 0.00000 2.84000 17.71000 0.00000 -3.36000 0.00000 -1.41000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_26.PDB -6.64000 -50.79000 -16.76000 -68.90000 -2.76000 88.74000 -87.63000 3.54000 40.65000 90.57000 0.00000 0.00000 0.00000 2.50000 17.59000 0.00000 -3.94000 0.00000 -1.86000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_27.PDB -5.25000 -49.56000 -16.79000 -68.29000 -2.57000 87.90000 -87.02000 3.70000 39.60000 90.41000 0.00000 0.00000 0.00000 2.49000 17.48000 0.00000 -3.82000 0.00000 -1.30000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_28.PDB -3.23000 -48.48000 -12.63000 -68.76000 -2.88000 88.26000 -87.73000 2.50000 37.56000 89.20000 0.00000 0.00000 0.00000 4.19000 17.47000 0.00000 -2.92000 0.00000 -1.52000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_29.PDB -5.46000 -50.19000 -15.70000 -68.51000 -3.23000 89.18000 -86.82000 3.23000 38.76000 90.29000 0.00000 0.00000 0.00000 3.26000 17.47000 0.00000 -3.93000 0.00000 -1.80000 0.00000 0.00000 66.00000 PIN3_1ZX6-2_30.PDB -6.02000 -50.15000 -16.59000 -69.67000 -3.92000 90.54000 -87.93000 3.12000 40.56000 90.67000 0.00000 0.00000 0.00000 3.53000 17.52000 0.00000 -3.49000 0.00000 -2.71000 0.00000 0.00000 66.00000