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_1CKB-12_1.PDB 7.29000 -38.05000 -11.40000 -65.13000 -1.50000 76.76000 -84.76000 10.63000 33.65000 84.47000 0.00000 0.00000 0.00000 4.45000 15.52000 0.00000 -1.54000 0.00000 -0.28000 0.00000 0.00000 63.00000 PIN3_1CKB-12_2.PDB 9.56000 -36.44000 -8.01000 -63.11000 -1.41000 73.77000 -82.67000 11.41000 30.62000 83.41000 0.00000 0.00000 0.00000 3.75000 15.23000 0.00000 -1.58000 0.00000 -0.19000 0.00000 0.00000 63.00000 PIN3_1CKB-12_3.PDB 10.11000 -37.29000 -8.83000 -64.74000 -1.51000 75.44000 -84.74000 10.88000 32.24000 84.66000 0.00000 0.00000 0.00000 5.87000 15.47000 0.00000 -1.62000 0.00000 -0.25000 0.00000 0.00000 63.00000 PIN3_1CKB-12_4.PDB 10.60000 -36.38000 -7.95000 -63.61000 -1.40000 74.59000 -83.12000 10.25000 30.72000 84.49000 0.00000 0.00000 0.00000 4.91000 15.49000 0.00000 -1.60000 0.00000 -0.30000 0.00000 0.00000 63.00000 PIN3_1CKB-12_5.PDB 8.46000 -36.43000 -7.99000 -64.68000 -1.36000 74.56000 -84.85000 10.24000 31.31000 83.48000 0.00000 0.00000 0.00000 5.86000 15.27000 0.00000 -1.62000 0.00000 -0.07000 0.00000 0.00000 63.00000 PIN3_1CKB-12_6.PDB 10.16000 -36.37000 -7.91000 -62.49000 -1.27000 73.69000 -81.66000 10.24000 30.22000 83.09000 0.00000 0.00000 0.00000 4.33000 15.23000 0.00000 -1.61000 0.00000 -0.09000 0.00000 0.00000 63.00000 PIN3_1CKB-12_7.PDB 8.32000 -36.33000 -7.89000 -63.66000 -1.41000 74.10000 -83.42000 9.60000 30.62000 83.55000 0.00000 0.00000 0.00000 4.87000 15.35000 0.00000 -1.58000 0.00000 -0.12000 0.00000 0.00000 63.00000 PIN3_1CKB-12_8.PDB 8.03000 -36.45000 -8.02000 -63.87000 -1.34000 74.32000 -83.64000 9.12000 30.76000 83.62000 0.00000 0.00000 0.00000 5.17000 15.36000 0.00000 -1.60000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKB-12_9.PDB 6.84000 -38.83000 -15.38000 -65.37000 -1.69000 79.29000 -83.75000 9.83000 34.85000 84.63000 0.00000 0.00000 0.00000 5.68000 15.72000 0.00000 -1.81000 0.00000 -0.61000 0.00000 0.00000 63.00000 PIN3_1CKB-12_10.PDB 10.81000 -36.21000 -7.76000 -62.90000 -1.36000 74.40000 -81.97000 8.63000 30.41000 84.00000 0.00000 0.00000 0.00000 5.29000 15.32000 0.00000 -1.53000 0.00000 -0.18000 0.00000 0.00000 63.00000 PIN3_1CKB-12_11.PDB 9.69000 -36.08000 -7.66000 -62.53000 -2.02000 74.01000 -81.48000 10.59000 30.25000 83.36000 0.00000 0.00000 0.00000 3.70000 15.18000 0.00000 -1.68000 0.00000 -0.78000 0.00000 0.00000 63.00000 PIN3_1CKB-12_12.PDB 10.52000 -36.22000 -7.80000 -63.95000 -1.34000 74.69000 -83.74000 9.53000 31.05000 84.69000 0.00000 0.00000 0.00000 5.39000 15.39000 0.00000 -1.62000 0.00000 -0.17000 0.00000 0.00000 63.00000 PIN3_1CKB-12_13.PDB 9.85000 -37.19000 -8.75000 -63.93000 -1.54000 74.96000 -83.40000 10.02000 31.74000 84.65000 0.00000 0.00000 0.00000 5.05000 15.53000 0.00000 -1.56000 0.00000 -0.19000 0.00000 0.00000 63.00000 PIN3_1CKB-12_14.PDB 9.49000 -36.25000 -7.81000 -63.95000 -1.36000 74.54000 -83.76000 9.97000 30.64000 84.51000 0.00000 0.00000 0.00000 4.74000 15.33000 0.00000 -1.61000 0.00000 -0.16000 0.00000 0.00000 63.00000 PIN3_1CKB-12_15.PDB 10.01000 -37.00000 -10.33000 -63.93000 -2.23000 76.07000 -82.88000 9.61000 33.11000 84.63000 0.00000 0.00000 0.00000 5.52000 15.39000 0.00000 -1.66000 0.00000 -0.90000 0.00000 0.00000 63.00000 PIN3_1CKB-12_16.PDB 8.19000 -36.28000 -9.60000 -63.45000 -2.29000 74.55000 -82.83000 8.65000 32.22000 83.93000 0.00000 0.00000 0.00000 5.72000 15.20000 0.00000 -1.63000 0.00000 -0.79000 0.00000 0.00000 63.00000 PIN3_1CKB-12_17.PDB 10.40000 -37.23000 -8.80000 -63.44000 -2.27000 75.61000 -82.18000 10.43000 31.67000 84.41000 0.00000 0.00000 0.00000 4.82000 15.36000 0.00000 -1.70000 0.00000 -0.91000 0.00000 0.00000 63.00000 PIN3_1CKB-12_18.PDB 8.68000 -36.32000 -7.89000 -63.63000 -2.27000 74.66000 -83.12000 10.53000 31.04000 83.82000 0.00000 0.00000 0.00000 4.46000 15.22000 0.00000 -1.75000 0.00000 -0.84000 0.00000 0.00000 63.00000 PIN3_1CKB-12_19.PDB 9.88000 -36.34000 -7.91000 -62.42000 -2.27000 74.16000 -81.45000 10.37000 30.39000 83.38000 0.00000 0.00000 0.00000 4.49000 15.11000 0.00000 -1.69000 0.00000 -0.82000 0.00000 0.00000 63.00000 PIN3_1CKB-12_20.PDB 8.21000 -36.39000 -7.97000 -63.31000 -2.39000 74.69000 -82.57000 9.36000 30.82000 83.60000 0.00000 0.00000 0.00000 4.92000 15.23000 0.00000 -1.70000 0.00000 -0.84000 0.00000 0.00000 63.00000 PIN3_1CKB-12_21.PDB 8.33000 -36.96000 -11.28000 -64.94000 -1.58000 76.82000 -84.17000 9.86000 32.55000 85.27000 0.00000 0.00000 0.00000 5.19000 15.50000 0.00000 -1.95000 0.00000 -0.48000 0.00000 0.00000 63.00000 PIN3_1CKB-12_22.PDB 9.64000 -37.14000 -11.90000 -64.41000 -1.62000 77.14000 -83.21000 10.36000 32.29000 85.15000 0.00000 0.00000 0.00000 5.49000 15.54000 0.00000 -1.99000 0.00000 -0.53000 0.00000 0.00000 63.00000 PIN3_1CKB-12_23.PDB 9.02000 -36.34000 -7.91000 -63.02000 -2.20000 74.59000 -82.29000 8.59000 30.52000 84.30000 0.00000 0.00000 0.00000 5.39000 15.24000 0.00000 -1.68000 0.00000 -0.93000 0.00000 0.00000 63.00000 PIN3_1CKB-12_24.PDB 9.93000 -36.27000 -7.85000 -63.13000 -2.00000 74.31000 -82.49000 10.64000 30.62000 83.70000 0.00000 0.00000 0.00000 4.77000 15.04000 0.00000 -1.68000 0.00000 -0.69000 0.00000 0.00000 63.00000 PIN3_1CKB-12_25.PDB 8.05000 -37.05000 -11.75000 -64.62000 -1.64000 77.21000 -83.21000 9.23000 32.06000 85.13000 0.00000 0.00000 0.00000 5.04000 15.58000 0.00000 -1.84000 0.00000 -0.50000 0.00000 0.00000 63.00000 PIN3_1CKB-12_26.PDB 8.54000 -37.31000 -8.87000 -63.54000 -1.59000 75.16000 -82.60000 8.88000 31.61000 83.70000 0.00000 0.00000 0.00000 5.08000 15.25000 0.00000 -1.53000 0.00000 -0.45000 0.00000 0.00000 63.00000 PIN3_1CKB-12_27.PDB 10.27000 -36.31000 -7.87000 -63.35000 -1.88000 74.61000 -82.70000 9.60000 30.72000 84.62000 0.00000 0.00000 0.00000 5.23000 15.22000 0.00000 -1.67000 0.00000 -0.74000 0.00000 0.00000 63.00000 PIN3_1CKB-12_28.PDB 7.41000 -36.41000 -7.94000 -64.25000 -1.87000 74.84000 -84.15000 8.65000 30.99000 84.09000 0.00000 0.00000 0.00000 5.61000 15.03000 0.00000 -1.59000 0.00000 -0.55000 0.00000 0.00000 63.00000 PIN3_1CKB-12_29.PDB 9.72000 -36.31000 -7.88000 -63.24000 -1.97000 74.32000 -82.71000 10.17000 30.65000 83.81000 0.00000 0.00000 0.00000 5.18000 15.11000 0.00000 -1.71000 0.00000 -0.60000 0.00000 0.00000 63.00000 PIN3_1CKB-12_30.PDB 11.08000 -37.35000 -8.91000 -63.36000 -1.73000 75.14000 -82.38000 10.73000 31.75000 84.64000 0.00000 0.00000 0.00000 4.61000 15.36000 0.00000 -1.56000 0.00000 -0.49000 0.00000 0.00000 63.00000