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-23_1.PDB 5.94000 -38.39000 -12.56000 -61.94000 -0.93000 74.58000 -80.41000 10.56000 31.03000 82.59000 0.00000 0.00000 0.00000 3.58000 14.79000 0.00000 -1.69000 0.00000 -0.48000 0.00000 0.00000 62.00000 PIN3_1CKB-23_2.PDB 5.40000 -39.22000 -14.06000 -62.70000 -1.80000 75.71000 -80.53000 10.58000 32.96000 82.87000 0.00000 0.00000 0.00000 4.18000 15.06000 0.00000 -1.98000 0.00000 -0.59000 0.00000 0.00000 62.00000 PIN3_1CKB-23_3.PDB 6.15000 -37.85000 -13.48000 -61.49000 -1.05000 74.34000 -79.58000 10.61000 31.46000 82.33000 0.00000 0.00000 0.00000 3.28000 14.78000 0.00000 -1.81000 0.00000 -0.61000 0.00000 0.00000 62.00000 PIN3_1CKB-23_4.PDB 5.11000 -37.50000 -11.67000 -61.80000 -1.50000 73.48000 -80.51000 10.00000 31.81000 82.42000 0.00000 0.00000 0.00000 3.25000 14.80000 0.00000 -1.95000 0.00000 -0.93000 0.00000 0.00000 62.00000 PIN3_1CKB-23_5.PDB 6.60000 -38.46000 -12.70000 -62.27000 -1.12000 74.92000 -80.83000 10.69000 32.17000 83.57000 0.00000 0.00000 0.00000 3.29000 14.96000 0.00000 -1.85000 0.00000 -0.81000 0.00000 0.00000 62.00000 PIN3_1CKB-23_6.PDB 5.39000 -38.34000 -12.62000 -62.89000 -1.02000 75.13000 -81.57000 10.39000 32.42000 83.07000 0.00000 0.00000 0.00000 3.18000 14.86000 0.00000 -1.89000 0.00000 -0.46000 0.00000 0.00000 62.00000 PIN3_1CKB-23_7.PDB 6.19000 -37.62000 -11.84000 -61.58000 -0.93000 72.90000 -79.99000 10.38000 31.67000 82.93000 0.00000 0.00000 0.00000 3.19000 14.96000 0.00000 -2.08000 0.00000 -0.85000 0.00000 0.00000 62.00000 PIN3_1CKB-23_8.PDB 5.05000 -37.51000 -11.72000 -62.39000 -1.50000 73.90000 -81.36000 10.51000 31.98000 82.71000 0.00000 0.00000 0.00000 3.32000 14.91000 0.00000 -1.98000 0.00000 -0.92000 0.00000 0.00000 62.00000 PIN3_1CKB-23_9.PDB 4.78000 -37.50000 -11.71000 -62.18000 -1.46000 73.71000 -80.82000 10.00000 31.92000 82.58000 0.00000 0.00000 0.00000 3.12000 14.90000 0.00000 -1.98000 0.00000 -0.90000 0.00000 0.00000 62.00000 PIN3_1CKB-23_10.PDB 6.35000 -37.49000 -11.73000 -61.80000 -0.95000 73.17000 -80.58000 10.69000 31.43000 83.05000 0.00000 0.00000 0.00000 3.22000 14.90000 0.00000 -1.86000 0.00000 -0.81000 0.00000 0.00000 62.00000 PIN3_1CKB-23_11.PDB 6.45000 -39.16000 -13.15000 -62.42000 -0.84000 75.06000 -80.62000 10.68000 32.04000 83.66000 0.00000 0.00000 0.00000 3.63000 14.90000 0.00000 -1.80000 0.00000 -0.63000 0.00000 0.00000 62.00000 PIN3_1CKB-23_12.PDB 6.03000 -36.86000 -12.78000 -61.26000 -1.57000 73.00000 -79.50000 10.40000 32.21000 81.93000 0.00000 0.00000 0.00000 3.28000 14.77000 0.00000 -1.82000 0.00000 -1.00000 0.00000 0.00000 62.00000 PIN3_1CKB-23_13.PDB 6.96000 -39.18000 -13.31000 -62.19000 -0.81000 75.14000 -80.19000 10.42000 31.97000 83.61000 0.00000 0.00000 0.00000 4.03000 15.01000 0.00000 -1.78000 0.00000 -0.76000 0.00000 0.00000 62.00000 PIN3_1CKB-23_14.PDB 5.19000 -36.87000 -12.63000 -61.94000 -1.52000 73.50000 -80.43000 9.91000 32.49000 82.28000 0.00000 0.00000 0.00000 3.30000 14.86000 0.00000 -1.95000 0.00000 -0.95000 0.00000 0.00000 62.00000 PIN3_1CKB-23_15.PDB 6.04000 -37.62000 -11.85000 -62.50000 -1.22000 73.84000 -81.43000 10.54000 32.44000 83.50000 0.00000 0.00000 0.00000 3.29000 14.95000 0.00000 -1.95000 0.00000 -0.98000 0.00000 0.00000 62.00000 PIN3_1CKB-23_16.PDB 6.65000 -38.59000 -14.41000 -61.78000 -0.83000 74.54000 -79.82000 10.69000 32.36000 83.26000 0.00000 0.00000 0.00000 3.59000 14.90000 0.00000 -1.68000 0.00000 -0.68000 0.00000 0.00000 62.00000 PIN3_1CKB-23_17.PDB 6.25000 -38.45000 -13.43000 -63.32000 -2.03000 76.49000 -81.69000 9.99000 33.01000 84.07000 0.00000 0.00000 0.00000 4.11000 15.12000 0.00000 -1.87000 0.00000 -0.63000 0.00000 0.00000 62.00000 PIN3_1CKB-23_18.PDB 5.45000 -37.56000 -11.78000 -62.85000 -1.55000 74.43000 -81.89000 10.46000 32.36000 83.44000 0.00000 0.00000 0.00000 3.34000 15.10000 0.00000 -1.95000 0.00000 -1.00000 0.00000 0.00000 62.00000 PIN3_1CKB-23_19.PDB 5.60000 -37.60000 -11.84000 -62.57000 -1.02000 73.55000 -81.51000 10.61000 32.37000 83.40000 0.00000 0.00000 0.00000 3.11000 14.96000 0.00000 -2.11000 0.00000 -0.79000 0.00000 0.00000 62.00000 PIN3_1CKB-23_20.PDB 6.72000 -36.75000 -10.95000 -61.84000 -1.41000 73.47000 -80.55000 9.51000 31.52000 83.07000 0.00000 0.00000 0.00000 3.33000 14.85000 0.00000 -1.86000 0.00000 -0.82000 0.00000 0.00000 62.00000 PIN3_1CKB-23_21.PDB 5.87000 -37.49000 -11.64000 -62.28000 -1.63000 73.82000 -80.90000 10.36000 32.15000 83.37000 0.00000 0.00000 0.00000 3.19000 15.06000 0.00000 -1.94000 0.00000 -1.13000 0.00000 0.00000 62.00000 PIN3_1CKB-23_22.PDB 5.94000 -37.45000 -11.68000 -62.61000 -0.79000 73.66000 -81.70000 10.35000 32.04000 83.52000 0.00000 0.00000 0.00000 3.24000 14.92000 0.00000 -2.03000 0.00000 -0.62000 0.00000 0.00000 62.00000 PIN3_1CKB-23_23.PDB 5.92000 -37.43000 -11.62000 -62.56000 -0.82000 73.53000 -81.44000 10.27000 32.07000 83.39000 0.00000 0.00000 0.00000 3.19000 14.84000 0.00000 -2.08000 0.00000 -0.60000 0.00000 0.00000 62.00000 PIN3_1CKB-23_24.PDB 5.88000 -37.43000 -11.63000 -62.84000 -0.97000 74.14000 -81.77000 10.35000 32.06000 83.42000 0.00000 0.00000 0.00000 3.22000 15.00000 0.00000 -1.95000 0.00000 -0.72000 0.00000 0.00000 62.00000 PIN3_1CKB-23_25.PDB 5.17000 -37.51000 -11.67000 -62.81000 -0.97000 73.78000 -81.66000 10.21000 32.16000 83.46000 0.00000 0.00000 0.00000 3.05000 14.99000 0.00000 -2.16000 0.00000 -0.70000 0.00000 0.00000 62.00000 PIN3_1CKB-23_26.PDB 6.60000 -37.01000 -13.03000 -61.36000 -1.66000 73.13000 -79.53000 10.35000 32.49000 82.82000 0.00000 0.00000 0.00000 3.28000 14.96000 0.00000 -1.72000 0.00000 -1.17000 0.00000 0.00000 62.00000 PIN3_1CKB-23_27.PDB 6.71000 -36.89000 -13.52000 -61.75000 -1.19000 73.89000 -80.13000 9.47000 32.99000 83.01000 0.00000 0.00000 0.00000 3.49000 14.88000 0.00000 -1.89000 0.00000 -0.77000 0.00000 0.00000 62.00000 PIN3_1CKB-23_28.PDB 6.04000 -37.02000 -12.90000 -62.15000 -1.41000 73.66000 -80.61000 10.42000 32.77000 83.07000 0.00000 0.00000 0.00000 3.19000 15.07000 0.00000 -1.87000 0.00000 -1.11000 0.00000 0.00000 62.00000 PIN3_1CKB-23_29.PDB 6.39000 -36.89000 -12.85000 -61.87000 -1.03000 73.24000 -80.35000 10.26000 32.53000 82.91000 0.00000 0.00000 0.00000 3.28000 14.87000 0.00000 -1.98000 0.00000 -0.85000 0.00000 0.00000 62.00000 PIN3_1CKB-23_30.PDB 7.93000 -37.65000 -11.85000 -62.56000 -1.09000 74.44000 -81.37000 10.43000 32.51000 84.46000 0.00000 0.00000 0.00000 3.46000 15.02000 0.00000 -1.93000 0.00000 -0.91000 0.00000 0.00000 62.00000