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-25_1.PDB 11.29000 -38.10000 -8.52000 -64.09000 -1.84000 75.49000 -83.69000 18.09000 31.63000 81.25000 0.00000 0.00000 0.00000 3.17000 14.96000 0.00000 -1.56000 0.00000 -0.55000 0.00000 0.00000 64.00000 PIN3_1CKA-25_2.PDB 11.21000 -39.25000 -9.31000 -64.12000 -1.58000 75.95000 -83.52000 18.06000 32.42000 81.73000 0.00000 0.00000 0.00000 3.22000 15.04000 0.00000 -1.81000 0.00000 -0.56000 0.00000 0.00000 64.00000 PIN3_1CKA-25_3.PDB 11.71000 -38.40000 -8.85000 -65.40000 -1.38000 76.92000 -85.06000 17.99000 32.56000 81.28000 0.00000 0.00000 0.00000 4.29000 15.00000 0.00000 -1.70000 0.00000 -0.54000 0.00000 0.00000 64.00000 PIN3_1CKA-25_4.PDB 10.89000 -38.82000 -8.95000 -64.35000 -1.95000 76.26000 -83.98000 17.83000 32.03000 81.89000 0.00000 0.00000 0.00000 3.28000 14.92000 0.00000 -1.56000 0.00000 -0.80000 0.00000 0.00000 64.00000 PIN3_1CKA-25_5.PDB 8.57000 -38.52000 -10.28000 -65.28000 -3.50000 77.81000 -84.32000 18.02000 32.66000 81.61000 0.00000 0.00000 0.00000 3.20000 15.03000 0.00000 -1.75000 0.00000 -1.09000 0.00000 0.00000 64.00000 PIN3_1CKA-25_6.PDB 9.18000 -38.79000 -11.05000 -64.51000 -2.99000 76.60000 -83.62000 17.89000 33.02000 82.00000 0.00000 0.00000 0.00000 3.38000 14.96000 0.00000 -1.70000 0.00000 -1.05000 0.00000 0.00000 64.00000 PIN3_1CKA-25_7.PDB 10.80000 -38.58000 -7.63000 -64.93000 -2.27000 76.79000 -84.70000 18.19000 31.44000 81.08000 0.00000 0.00000 0.00000 3.89000 14.95000 0.00000 -1.98000 0.00000 -0.51000 0.00000 0.00000 64.00000 PIN3_1CKA-25_8.PDB 11.37000 -39.47000 -8.19000 -64.53000 -2.12000 76.32000 -84.49000 18.10000 31.98000 81.88000 0.00000 0.00000 0.00000 3.99000 15.02000 0.00000 -1.54000 0.00000 -0.56000 0.00000 0.00000 64.00000 PIN3_1CKA-25_9.PDB 12.69000 -39.28000 -9.24000 -63.83000 -1.06000 75.45000 -83.29000 18.69000 31.93000 82.29000 0.00000 0.00000 0.00000 3.34000 15.09000 0.00000 -1.83000 0.00000 -0.49000 0.00000 0.00000 64.00000 PIN3_1CKA-25_10.PDB 10.87000 -37.97000 -9.86000 -65.40000 -3.45000 77.98000 -84.42000 18.54000 33.12000 81.76000 0.00000 0.00000 0.00000 3.60000 15.23000 0.00000 -1.66000 0.00000 -1.38000 0.00000 0.00000 64.00000 PIN3_1CKA-25_11.PDB 11.16000 -39.45000 -9.48000 -65.36000 -1.88000 77.90000 -84.89000 18.76000 32.40000 82.45000 0.00000 0.00000 0.00000 3.44000 15.20000 0.00000 -2.12000 0.00000 -0.63000 0.00000 0.00000 64.00000 PIN3_1CKA-25_12.PDB 8.55000 -38.22000 -10.57000 -65.04000 -3.53000 77.37000 -84.30000 18.76000 32.17000 82.13000 0.00000 0.00000 0.00000 2.66000 15.25000 0.00000 -1.94000 0.00000 -0.96000 0.00000 0.00000 64.00000 PIN3_1CKA-25_13.PDB 11.25000 -37.92000 -7.86000 -64.37000 -2.10000 75.95000 -84.30000 17.89000 31.12000 81.68000 0.00000 0.00000 0.00000 3.32000 15.03000 0.00000 -1.48000 0.00000 -0.68000 0.00000 0.00000 64.00000 PIN3_1CKA-25_14.PDB 8.30000 -38.99000 -11.68000 -65.17000 -3.27000 77.69000 -84.47000 18.96000 33.02000 82.65000 0.00000 0.00000 0.00000 2.61000 15.14000 0.00000 -2.08000 0.00000 -0.96000 0.00000 0.00000 64.00000 PIN3_1CKA-25_15.PDB 10.03000 -39.45000 -9.60000 -65.07000 -2.34000 77.27000 -84.58000 18.81000 32.29000 81.70000 0.00000 0.00000 0.00000 3.58000 15.13000 0.00000 -2.00000 0.00000 -0.58000 0.00000 0.00000 64.00000 PIN3_1CKA-25_16.PDB 10.75000 -37.70000 -9.96000 -65.00000 -3.42000 77.07000 -84.34000 18.59000 32.80000 82.36000 0.00000 0.00000 0.00000 3.45000 15.20000 0.00000 -1.75000 0.00000 -1.35000 0.00000 0.00000 64.00000 PIN3_1CKA-25_17.PDB 10.56000 -39.53000 -8.94000 -65.18000 -2.38000 77.09000 -84.73000 17.97000 32.38000 82.18000 0.00000 0.00000 0.00000 3.91000 15.13000 0.00000 -1.56000 0.00000 -0.65000 0.00000 0.00000 64.00000 PIN3_1CKA-25_18.PDB 10.86000 -38.56000 -10.76000 -65.62000 -3.30000 77.47000 -85.14000 18.82000 33.72000 82.79000 0.00000 0.00000 0.00000 4.54000 15.16000 0.00000 -1.76000 0.00000 -1.34000 0.00000 0.00000 64.00000 PIN3_1CKA-25_19.PDB 12.10000 -39.52000 -8.48000 -65.19000 -2.35000 77.61000 -84.63000 18.06000 32.54000 82.20000 0.00000 0.00000 0.00000 4.15000 15.04000 0.00000 -1.57000 0.00000 -0.71000 0.00000 0.00000 64.00000 PIN3_1CKA-25_20.PDB 11.40000 -39.97000 -9.34000 -65.09000 -2.28000 77.79000 -84.19000 18.38000 33.14000 82.57000 0.00000 0.00000 0.00000 3.24000 15.07000 0.00000 -2.04000 0.00000 -0.82000 0.00000 0.00000 64.00000 PIN3_1CKA-25_21.PDB 11.84000 -39.54000 -9.23000 -65.07000 -2.48000 78.44000 -84.32000 17.87000 32.37000 82.18000 0.00000 0.00000 0.00000 3.84000 15.13000 0.00000 -1.70000 0.00000 -0.51000 0.00000 0.00000 64.00000 PIN3_1CKA-25_22.PDB 8.86000 -38.58000 -8.19000 -65.26000 -2.28000 76.84000 -85.11000 17.99000 31.87000 80.72000 0.00000 0.00000 0.00000 3.29000 15.20000 0.00000 -1.70000 0.00000 -0.72000 0.00000 0.00000 64.00000 PIN3_1CKA-25_23.PDB 10.81000 -39.83000 -10.33000 -64.79000 -2.39000 77.99000 -84.29000 18.30000 32.88000 82.88000 0.00000 0.00000 0.00000 3.04000 15.05000 0.00000 -2.03000 0.00000 -0.63000 0.00000 0.00000 64.00000 PIN3_1CKA-25_24.PDB 10.76000 -39.25000 -8.58000 -64.55000 -2.05000 76.40000 -84.24000 18.13000 32.04000 82.33000 0.00000 0.00000 0.00000 3.08000 15.06000 0.00000 -1.87000 0.00000 -0.69000 0.00000 0.00000 64.00000 PIN3_1CKA-25_25.PDB 10.30000 -38.50000 -8.46000 -65.11000 -2.03000 77.11000 -84.53000 18.40000 31.41000 81.30000 0.00000 0.00000 0.00000 3.65000 15.05000 0.00000 -2.33000 0.00000 -0.60000 0.00000 0.00000 64.00000 PIN3_1CKA-25_26.PDB 11.87000 -39.22000 -9.14000 -65.27000 -2.58000 78.07000 -84.78000 18.26000 32.85000 82.42000 0.00000 0.00000 0.00000 3.83000 15.09000 0.00000 -1.80000 0.00000 -0.77000 0.00000 0.00000 64.00000 PIN3_1CKA-25_27.PDB 9.68000 -39.23000 -8.01000 -64.97000 -1.62000 75.86000 -85.25000 17.99000 32.39000 81.55000 0.00000 0.00000 0.00000 3.16000 15.11000 0.00000 -1.57000 0.00000 -0.63000 0.00000 0.00000 64.00000 PIN3_1CKA-25_28.PDB 10.34000 -39.00000 -8.61000 -64.15000 -2.20000 75.70000 -83.74000 17.99000 31.89000 81.93000 0.00000 0.00000 0.00000 3.35000 15.00000 0.00000 -2.01000 0.00000 -0.79000 0.00000 0.00000 64.00000 PIN3_1CKA-25_29.PDB 8.68000 -38.27000 -10.78000 -64.95000 -3.35000 76.85000 -84.20000 18.68000 32.28000 81.94000 0.00000 0.00000 0.00000 3.29000 15.15000 0.00000 -1.87000 0.00000 -0.92000 0.00000 0.00000 64.00000 PIN3_1CKA-25_30.PDB 10.33000 -39.81000 -9.70000 -64.19000 -2.18000 76.31000 -83.87000 17.75000 32.42000 82.64000 0.00000 0.00000 0.00000 3.22000 14.91000 0.00000 -1.62000 0.00000 -0.64000 0.00000 0.00000 64.00000