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_1CKA-9_1.PDB 3.87000 -37.41000 -8.59000 -62.94000 -0.30000 72.52000 -82.65000 12.90000 30.60000 79.10000 0.00000 0.00000 0.00000 2.21000 14.26000 0.00000 -1.59000 0.00000 0.02000 0.00000 0.00000 63.00000 PIN3_1CKA-9_2.PDB 4.00000 -38.10000 -11.14000 -63.20000 -0.33000 73.04000 -82.91000 12.94000 32.68000 80.24000 0.00000 0.00000 0.00000 2.31000 14.43000 0.00000 -1.51000 0.00000 -0.03000 0.00000 0.00000 63.00000 PIN3_1CKA-9_3.PDB 3.95000 -37.93000 -9.11000 -63.92000 -0.29000 73.22000 -83.82000 13.35000 31.27000 80.38000 0.00000 0.00000 0.00000 2.40000 14.54000 0.00000 -1.61000 0.00000 0.03000 0.00000 0.00000 63.00000 PIN3_1CKA-9_4.PDB 4.03000 -37.33000 -6.95000 -63.71000 -0.30000 72.42000 -84.10000 13.45000 29.68000 80.04000 0.00000 0.00000 0.00000 2.41000 14.49000 0.00000 -1.60000 0.00000 0.01000 0.00000 0.00000 63.00000 PIN3_1CKA-9_5.PDB 4.00000 -37.80000 -7.44000 -62.49000 -0.28000 72.00000 -82.12000 12.78000 29.51000 79.13000 0.00000 0.00000 0.00000 2.20000 14.31000 0.00000 -1.54000 0.00000 0.04000 0.00000 0.00000 63.00000 PIN3_1CKA-9_6.PDB 5.27000 -37.31000 -6.94000 -62.65000 -0.24000 71.68000 -82.60000 13.32000 29.14000 80.07000 0.00000 0.00000 0.00000 2.37000 14.28000 0.00000 -1.59000 0.00000 0.01000 0.00000 0.00000 63.00000 PIN3_1CKA-9_7.PDB 5.00000 -37.76000 -8.95000 -63.83000 -0.41000 73.10000 -83.91000 13.61000 31.40000 81.04000 0.00000 0.00000 0.00000 2.38000 14.52000 0.00000 -1.60000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKA-9_8.PDB 5.22000 -38.05000 -7.68000 -63.69000 -0.41000 73.12000 -83.73000 13.25000 30.38000 81.39000 0.00000 0.00000 0.00000 2.27000 14.46000 0.00000 -1.58000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKA-9_9.PDB 3.34000 -38.72000 -10.12000 -63.16000 -0.53000 73.18000 -83.00000 13.48000 32.18000 79.90000 0.00000 0.00000 0.00000 1.95000 14.30000 0.00000 -1.76000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKA-9_10.PDB 5.33000 -37.95000 -7.60000 -63.46000 -0.28000 73.00000 -83.80000 13.56000 30.13000 81.48000 0.00000 0.00000 0.00000 1.93000 14.44000 0.00000 -1.70000 0.00000 0.02000 0.00000 0.00000 63.00000 PIN3_1CKA-9_11.PDB 3.67000 -37.32000 -8.69000 -63.62000 -0.36000 72.79000 -83.71000 13.07000 30.79000 80.02000 0.00000 0.00000 0.00000 2.31000 14.42000 0.00000 -1.64000 0.00000 0.03000 0.00000 0.00000 63.00000 PIN3_1CKA-9_12.PDB 5.89000 -37.36000 -6.95000 -63.86000 -0.27000 72.92000 -84.10000 14.00000 29.67000 81.29000 0.00000 0.00000 0.00000 2.29000 14.64000 0.00000 -1.74000 0.00000 0.01000 0.00000 0.00000 63.00000 PIN3_1CKA-9_13.PDB 2.44000 -37.34000 -7.00000 -62.73000 -0.35000 71.19000 -83.19000 13.91000 29.32000 77.93000 0.00000 0.00000 0.00000 2.20000 14.22000 0.00000 -1.55000 0.00000 0.06000 0.00000 0.00000 63.00000 PIN3_1CKA-9_14.PDB 4.97000 -37.77000 -8.90000 -63.90000 -0.27000 73.15000 -83.84000 14.23000 31.19000 80.39000 0.00000 0.00000 0.00000 2.30000 14.45000 0.00000 -1.62000 0.00000 0.01000 0.00000 0.00000 63.00000 PIN3_1CKA-9_15.PDB 4.39000 -37.31000 -8.67000 -63.00000 -0.36000 72.40000 -82.89000 12.74000 30.48000 80.33000 0.00000 0.00000 0.00000 2.28000 14.30000 0.00000 -1.64000 0.00000 0.04000 0.00000 0.00000 63.00000 PIN3_1CKA-9_16.PDB 5.19000 -38.15000 -9.49000 -63.71000 -0.52000 73.48000 -83.59000 13.32000 31.83000 81.41000 0.00000 0.00000 0.00000 2.23000 14.35000 0.00000 -1.55000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKA-9_17.PDB 4.64000 -37.44000 -8.83000 -63.32000 -0.93000 73.86000 -82.78000 12.91000 30.68000 80.25000 0.00000 0.00000 0.00000 2.45000 14.47000 0.00000 -1.66000 0.00000 -0.56000 0.00000 0.00000 63.00000 PIN3_1CKA-9_18.PDB 4.13000 -37.32000 -6.95000 -62.37000 -0.28000 71.44000 -82.31000 12.56000 28.97000 79.48000 0.00000 0.00000 0.00000 2.43000 14.34000 0.00000 -1.55000 0.00000 0.03000 0.00000 0.00000 63.00000 PIN3_1CKA-9_19.PDB 5.01000 -37.44000 -8.60000 -62.73000 -0.29000 72.21000 -82.46000 13.71000 30.34000 79.43000 0.00000 0.00000 0.00000 2.30000 14.35000 0.00000 -1.47000 0.00000 0.01000 0.00000 0.00000 63.00000 PIN3_1CKA-9_20.PDB 6.04000 -39.00000 -11.77000 -64.31000 -0.56000 74.89000 -84.11000 15.51000 33.50000 81.48000 0.00000 0.00000 0.00000 2.15000 14.38000 0.00000 -1.69000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKA-9_21.PDB 3.81000 -38.27000 -7.93000 -61.89000 -0.45000 71.60000 -81.53000 13.06000 29.42000 78.96000 0.00000 0.00000 0.00000 2.38000 14.14000 0.00000 -1.52000 0.00000 -0.02000 0.00000 0.00000 63.00000 PIN3_1CKA-9_22.PDB 2.75000 -37.51000 -8.73000 -64.08000 -0.33000 72.59000 -84.53000 14.06000 31.05000 79.35000 0.00000 0.00000 0.00000 2.22000 14.62000 0.00000 -1.39000 0.00000 0.05000 0.00000 0.00000 63.00000 PIN3_1CKA-9_23.PDB 3.92000 -37.30000 -6.94000 -62.33000 -0.74000 71.67000 -82.06000 13.05000 29.20000 78.82000 0.00000 0.00000 0.00000 2.18000 14.31000 0.00000 -1.60000 0.00000 -0.03000 0.00000 0.00000 63.00000 PIN3_1CKA-9_24.PDB 5.02000 -37.30000 -8.67000 -63.83000 -0.39000 73.39000 -83.91000 12.73000 30.95000 81.39000 0.00000 0.00000 0.00000 2.28000 14.39000 0.00000 -1.68000 0.00000 0.04000 0.00000 0.00000 63.00000 PIN3_1CKA-9_25.PDB 4.44000 -37.87000 -9.02000 -62.89000 -0.33000 72.01000 -83.34000 16.13000 30.64000 78.97000 0.00000 0.00000 0.00000 1.74000 14.38000 0.00000 -1.66000 0.00000 0.05000 0.00000 0.00000 63.00000 PIN3_1CKA-9_26.PDB 5.86000 -38.22000 -9.58000 -63.14000 -0.87000 73.92000 -82.43000 13.24000 31.44000 81.11000 0.00000 0.00000 0.00000 2.51000 14.48000 0.00000 -1.58000 0.00000 -0.53000 0.00000 0.00000 63.00000 PIN3_1CKA-9_27.PDB 4.37000 -37.87000 -8.98000 -63.31000 -0.33000 72.18000 -83.47000 16.47000 30.73000 78.39000 0.00000 0.00000 0.00000 2.04000 14.52000 0.00000 -1.51000 0.00000 0.04000 0.00000 0.00000 63.00000 PIN3_1CKA-9_28.PDB 5.89000 -37.64000 -10.45000 -64.39000 -0.93000 75.24000 -83.97000 13.89000 32.33000 81.66000 0.00000 0.00000 0.00000 2.46000 14.54000 0.00000 -1.75000 0.00000 -0.54000 0.00000 0.00000 63.00000 PIN3_1CKA-9_29.PDB 5.16000 -38.05000 -7.68000 -63.03000 -0.41000 72.51000 -82.98000 13.17000 30.29000 80.75000 0.00000 0.00000 0.00000 2.28000 14.30000 0.00000 -1.62000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKA-9_30.PDB 4.36000 -37.33000 -6.95000 -63.29000 -0.29000 72.08000 -83.55000 12.85000 29.33000 80.64000 0.00000 0.00000 0.00000 2.41000 14.51000 0.00000 -1.56000 0.00000 0.02000 0.00000 0.00000 63.00000