name Intraclash total energy Backbone Hbond 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-9_1.PDB 3.57939 -11.25000 -2.26000 -2.95000 -9.19000 -1.33000 9.15000 -11.96000 1.28000 5.36000 1.79000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -0.13000 0.00000 -1.08000 0.00000 2.38000 63.00000 PIN3_1CKB-9_2.PDB 3.58115 -10.68000 -2.36000 -2.84000 -9.49000 -0.99000 8.69000 -12.49000 1.36000 6.16000 2.31000 0.00000 0.00000 0.00000 0.04000 0.50000 0.00000 -0.21000 0.00000 -0.86000 0.00000 2.38000 63.00000 PIN3_1CKB-9_3.PDB 3.48171 -11.27000 -2.35000 -2.80000 -9.20000 -0.78000 8.01000 -12.69000 1.47000 5.91000 1.99000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.32000 0.00000 -0.56000 0.00000 2.38000 63.00000 PIN3_1CKB-9_4.PDB 3.57343 -12.10000 -2.13000 -3.77000 -9.10000 -1.53000 8.40000 -11.81000 1.46000 6.38000 1.80000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.77000 0.00000 -1.05000 0.00000 2.38000 63.00000 PIN3_1CKB-9_5.PDB 3.80679 -12.42000 -2.24000 -2.51000 -9.68000 -0.96000 7.72000 -13.54000 1.50000 6.15000 2.19000 0.00000 0.00000 0.00000 0.04000 0.54000 0.00000 -0.43000 0.00000 -0.64000 0.00000 2.38000 63.00000 PIN3_1CKB-9_6.PDB 3.34020 -11.31000 -2.22000 -3.89000 -8.91000 -1.03000 8.38000 -11.53000 1.21000 5.98000 2.01000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.58000 0.00000 -0.76000 0.00000 2.38000 63.00000 PIN3_1CKB-9_7.PDB 3.49839 -10.52000 -1.53000 -1.33000 -9.07000 -1.02000 7.26000 -12.14000 1.25000 5.25000 2.07000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.51000 0.00000 -0.83000 0.00000 2.38000 63.00000 PIN3_1CKB-9_8.PDB 3.39543 -10.62000 -1.47000 -1.29000 -9.27000 -0.98000 7.50000 -12.39000 1.32000 5.42000 2.16000 0.00000 0.00000 0.00000 0.07000 0.55000 0.00000 -0.88000 0.00000 -0.80000 0.00000 2.38000 63.00000 PIN3_1CKB-9_9.PDB 4.06334 -10.72000 -1.42000 -1.34000 -9.53000 -1.10000 7.25000 -12.80000 1.80000 5.51000 2.26000 0.00000 0.00000 0.00000 0.04000 0.48000 0.00000 -0.52000 0.00000 -0.88000 0.00000 2.38000 63.00000 PIN3_1CKB-9_10.PDB 6.03186 -10.56000 -2.04000 -2.64000 -9.60000 -1.20000 8.75000 -12.58000 1.92000 5.75000 2.38000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.42000 0.00000 -0.93000 0.00000 2.38000 63.00000 PIN3_1CKB-9_11.PDB 3.70572 -11.80000 -1.50000 -3.86000 -9.32000 -1.01000 7.44000 -12.76000 1.46000 6.71000 2.16000 0.00000 0.00000 0.00000 0.06000 0.49000 0.00000 -0.54000 0.00000 -0.64000 0.00000 2.38000 63.00000 PIN3_1CKB-9_12.PDB 3.53416 -10.64000 -2.37000 -2.87000 -9.14000 -1.02000 8.43000 -12.02000 1.30000 5.95000 2.16000 0.00000 0.00000 0.00000 0.03000 0.48000 0.00000 -0.22000 0.00000 -0.88000 0.00000 2.38000 63.00000 PIN3_1CKB-9_13.PDB 3.52686 -10.91000 -2.37000 -2.94000 -9.13000 -0.98000 8.32000 -12.08000 1.29000 5.90000 2.21000 0.00000 0.00000 0.00000 0.05000 0.50000 0.00000 -0.29000 0.00000 -0.88000 0.00000 2.38000 63.00000 PIN3_1CKB-9_14.PDB 4.09623 -10.86000 -1.53000 -1.39000 -9.22000 -1.03000 7.33000 -12.29000 1.33000 5.51000 1.90000 0.00000 0.00000 0.00000 0.05000 0.53000 0.00000 -0.69000 0.00000 -0.84000 0.00000 2.38000 63.00000 PIN3_1CKB-9_15.PDB 3.69282 -11.73000 -1.48000 -3.82000 -9.26000 -0.96000 7.78000 -12.55000 1.36000 6.13000 2.12000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -0.48000 0.00000 -0.64000 0.00000 2.38000 63.00000 PIN3_1CKB-9_16.PDB 4.16810 -9.85000 -1.54000 -1.36000 -9.30000 -1.22000 7.91000 -12.07000 1.68000 5.52000 2.06000 0.00000 0.00000 0.00000 0.06000 0.53000 0.00000 -0.59000 0.00000 -1.00000 0.00000 2.38000 63.00000 PIN3_1CKB-9_17.PDB 3.42574 -10.91000 -1.47000 -1.45000 -9.28000 -1.01000 6.90000 -12.63000 1.66000 5.39000 2.21000 0.00000 0.00000 0.00000 0.08000 0.51000 0.00000 -0.40000 0.00000 -0.89000 0.00000 2.38000 63.00000 PIN3_1CKB-9_18.PDB 3.58261 -12.19000 -2.01000 -4.24000 -9.67000 -1.51000 9.27000 -12.30000 1.46000 6.29000 2.19000 0.00000 0.00000 0.00000 0.05000 0.54000 0.00000 -0.48000 0.00000 -1.25000 0.00000 2.38000 63.00000 PIN3_1CKB-9_19.PDB 3.56657 -11.30000 -2.34000 -2.36000 -9.15000 -0.94000 7.82000 -12.19000 1.41000 5.53000 2.13000 0.00000 0.00000 0.00000 0.08000 0.50000 0.00000 -0.46000 0.00000 -0.83000 0.00000 2.38000 63.00000 PIN3_1CKB-9_20.PDB 3.74797 -11.77000 -2.37000 -2.63000 -9.61000 -0.92000 7.96000 -13.37000 1.60000 6.13000 2.43000 0.00000 0.00000 0.00000 0.05000 0.53000 0.00000 -0.40000 0.00000 -0.64000 0.00000 2.38000 63.00000 PIN3_1CKB-9_21.PDB 5.50195 -11.58000 -1.63000 -1.51000 -8.90000 -0.56000 6.31000 -12.60000 0.50000 5.53000 2.02000 0.00000 0.00000 0.00000 0.05000 0.51000 0.00000 -0.39000 0.00000 -0.43000 0.00000 2.38000 63.00000 PIN3_1CKB-9_22.PDB 3.38963 -10.20000 -2.02000 -2.51000 -8.37000 -1.15000 8.01000 -10.85000 1.46000 4.67000 1.85000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.43000 0.00000 -0.87000 0.00000 2.38000 63.00000 PIN3_1CKB-9_23.PDB 4.27235 -11.49000 -2.32000 -2.12000 -9.25000 -0.46000 7.22000 -12.93000 1.40000 5.63000 2.08000 0.00000 0.00000 0.00000 0.04000 0.52000 0.00000 -0.41000 0.00000 -0.39000 0.00000 2.38000 63.00000 PIN3_1CKB-9_24.PDB 3.50188 -10.46000 -2.70000 -2.55000 -8.92000 -0.64000 7.89000 -12.03000 1.27000 5.66000 2.47000 0.00000 0.00000 0.00000 0.05000 0.36000 0.00000 -0.45000 0.00000 -0.50000 0.00000 2.38000 63.00000 PIN3_1CKB-9_25.PDB 3.72099 -11.39000 -2.34000 -2.18000 -9.49000 -0.54000 7.64000 -13.16000 1.43000 5.91000 2.12000 0.00000 0.00000 0.00000 0.04000 0.55000 0.00000 -0.40000 0.00000 -0.42000 0.00000 2.38000 63.00000 PIN3_1CKB-9_26.PDB 3.46487 -11.28000 -1.55000 -2.94000 -9.22000 -1.33000 8.13000 -11.85000 1.12000 6.23000 2.13000 0.00000 0.00000 0.00000 0.07000 0.46000 0.00000 -1.01000 0.00000 -1.06000 0.00000 2.38000 63.00000 PIN3_1CKB-9_27.PDB 3.54304 -10.76000 -1.58000 -2.17000 -9.41000 -0.87000 7.85000 -12.92000 1.37000 5.77000 2.18000 0.00000 0.00000 0.00000 0.05000 0.32000 0.00000 -0.42000 0.00000 -0.60000 0.00000 2.38000 63.00000 PIN3_1CKB-9_28.PDB 3.79013 -11.27000 -1.53000 -3.84000 -9.08000 -1.18000 7.58000 -11.98000 1.30000 6.82000 2.27000 0.00000 0.00000 0.00000 0.03000 0.42000 0.00000 -0.81000 0.00000 -0.86000 0.00000 2.38000 63.00000 PIN3_1CKB-9_29.PDB 3.54818 -11.59000 -1.50000 -1.40000 -9.64000 -1.01000 7.76000 -12.80000 1.37000 5.10000 2.08000 0.00000 0.00000 0.00000 0.08000 0.51000 0.00000 -0.82000 0.00000 -0.80000 0.00000 2.38000 63.00000 PIN3_1CKB-9_30.PDB 3.37989 -11.57000 -1.57000 -3.09000 -9.35000 -1.40000 7.96000 -12.21000 1.20000 6.55000 1.99000 0.00000 0.00000 0.00000 0.05000 0.46000 0.00000 -0.66000 0.00000 -1.05000 0.00000 2.38000 63.00000