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_1CKA-19_1.PDB 9.48832 -5.82000 -0.89000 -3.96000 -7.67000 -0.29000 7.68000 -10.52000 0.66000 4.88000 5.24000 0.00000 0.00000 0.00000 0.04000 0.15000 0.00000 -0.67000 0.00000 -0.31000 0.00000 2.38000 64.00000 PIN3_1CKA-19_2.PDB 8.93132 -7.25000 -1.05000 -4.09000 -7.47000 -0.38000 7.11000 -10.57000 0.80000 4.96000 3.99000 0.00000 0.00000 0.00000 0.07000 0.16000 0.00000 -0.19000 0.00000 -0.42000 0.00000 2.38000 64.00000 PIN3_1CKA-19_3.PDB 9.37070 -6.63000 -0.89000 -5.61000 -8.28000 -0.41000 8.95000 -11.09000 0.86000 6.23000 4.79000 0.00000 0.00000 0.00000 0.07000 0.20000 0.00000 -0.81000 0.00000 -0.44000 0.00000 2.38000 64.00000 PIN3_1CKA-19_4.PDB 9.54149 -6.51000 -1.67000 -4.30000 -8.15000 -0.29000 8.47000 -10.77000 0.86000 5.36000 4.42000 0.00000 0.00000 0.00000 0.07000 0.20000 0.00000 -0.19000 0.00000 -0.31000 0.00000 2.38000 64.00000 PIN3_1CKA-19_5.PDB 9.44536 -5.58000 -0.89000 -3.96000 -7.52000 -0.56000 7.79000 -9.96000 0.70000 4.93000 4.94000 0.00000 0.00000 0.00000 0.04000 0.15000 0.00000 -0.53000 0.00000 -0.55000 0.00000 2.38000 64.00000 PIN3_1CKA-19_6.PDB 9.68570 -6.92000 -0.93000 -4.02000 -8.19000 -0.26000 7.74000 -11.38000 0.70000 5.44000 4.45000 0.00000 0.00000 0.00000 0.13000 0.15000 0.00000 -0.32000 0.00000 -0.27000 0.00000 2.38000 64.00000 PIN3_1CKA-19_7.PDB 8.40457 -6.69000 -0.96000 -5.65000 -8.06000 -0.39000 8.56000 -11.04000 0.92000 6.08000 4.71000 0.00000 0.00000 0.00000 0.04000 0.12000 0.00000 -0.48000 0.00000 -0.42000 0.00000 2.38000 64.00000 PIN3_1CKA-19_8.PDB 9.97184 -7.48000 -3.23000 -7.46000 -9.54000 -0.44000 11.62000 -11.87000 1.08000 8.31000 5.24000 0.00000 0.00000 0.00000 0.11000 0.26000 0.00000 -0.87000 0.00000 -0.44000 0.00000 2.38000 64.00000 PIN3_1CKA-19_9.PDB 9.52957 -4.73000 -0.92000 -2.26000 -8.35000 -0.02000 7.77000 -11.61000 0.86000 4.86000 5.46000 0.00000 0.00000 0.00000 0.07000 0.22000 0.00000 -0.53000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-19_10.PDB 9.23601 -6.04000 -0.89000 -3.96000 -6.98000 -0.54000 7.04000 -9.54000 0.73000 4.49000 4.63000 0.00000 0.00000 0.00000 0.04000 0.08000 0.00000 -0.51000 0.00000 -0.54000 0.00000 2.38000 64.00000 PIN3_1CKA-19_11.PDB 8.93151 -6.88000 -1.01000 -5.75000 -8.41000 -0.58000 9.33000 -10.94000 0.77000 6.60000 4.51000 0.00000 0.00000 0.00000 0.04000 0.20000 0.00000 -0.88000 0.00000 -0.56000 0.00000 2.38000 64.00000 PIN3_1CKA-19_12.PDB 9.67115 -7.28000 -0.93000 -5.68000 -8.36000 -0.41000 8.66000 -11.39000 0.96000 6.18000 4.67000 0.00000 0.00000 0.00000 0.12000 0.18000 0.00000 -0.68000 0.00000 -0.42000 0.00000 2.38000 64.00000 PIN3_1CKA-19_13.PDB 9.84902 -6.20000 -1.56000 -4.19000 -8.27000 -0.93000 9.48000 -10.39000 0.82000 5.76000 4.08000 0.00000 0.00000 0.00000 0.14000 0.26000 0.00000 -0.48000 0.00000 -0.65000 0.00000 2.38000 64.00000 PIN3_1CKA-19_14.PDB 9.97044 -6.53000 -0.89000 -3.76000 -8.49000 -0.22000 7.99000 -11.72000 0.97000 5.15000 4.92000 0.00000 0.00000 0.00000 0.08000 0.28000 0.00000 -0.35000 0.00000 -0.20000 0.00000 2.38000 64.00000 PIN3_1CKA-19_15.PDB 9.28242 -5.67000 -0.99000 -2.32000 -7.78000 -0.02000 7.36000 -10.79000 0.61000 4.57000 4.34000 0.00000 0.00000 0.00000 0.05000 0.13000 0.00000 -0.65000 0.00000 -0.04000 0.00000 2.38000 64.00000 PIN3_1CKA-19_16.PDB 9.38979 -6.31000 -0.92000 -3.52000 -8.24000 -0.26000 7.97000 -11.40000 0.76000 5.22000 4.48000 0.00000 0.00000 0.00000 0.09000 0.18000 0.00000 -0.23000 0.00000 -0.27000 0.00000 2.38000 64.00000 PIN3_1CKA-19_17.PDB 9.77344 -6.66000 -2.31000 -5.35000 -9.10000 -1.05000 10.68000 -11.49000 0.99000 7.04000 4.82000 0.00000 0.00000 0.00000 0.16000 0.24000 0.00000 -0.29000 0.00000 -0.76000 0.00000 2.38000 64.00000 PIN3_1CKA-19_18.PDB 9.38182 -5.08000 -0.92000 -2.24000 -7.56000 -0.03000 6.76000 -10.79000 0.72000 4.20000 5.06000 0.00000 0.00000 0.00000 0.06000 0.16000 0.00000 -0.25000 0.00000 -0.07000 0.00000 2.38000 64.00000 PIN3_1CKA-19_19.PDB 8.84820 -4.73000 -1.54000 -2.44000 -7.79000 -0.02000 7.73000 -10.44000 0.61000 4.72000 5.00000 0.00000 0.00000 0.00000 0.04000 0.19000 0.00000 -0.57000 0.00000 -0.04000 0.00000 2.38000 64.00000 PIN3_1CKA-19_20.PDB 9.36165 -6.82000 -0.91000 -5.51000 -8.15000 -0.74000 8.88000 -10.73000 1.04000 6.27000 4.52000 0.00000 0.00000 0.00000 0.07000 0.19000 0.00000 -0.90000 0.00000 -0.67000 0.00000 2.38000 64.00000 PIN3_1CKA-19_21.PDB 9.51021 -5.63000 -1.53000 -5.73000 -8.68000 -0.98000 10.67000 -10.61000 1.03000 6.83000 4.59000 0.00000 0.00000 0.00000 0.09000 0.29000 0.00000 -0.51000 0.00000 -0.80000 0.00000 2.38000 64.00000 PIN3_1CKA-19_22.PDB 9.54028 -4.32000 -0.89000 -2.21000 -7.55000 -0.28000 7.48000 -10.11000 0.60000 4.27000 5.09000 0.00000 0.00000 0.00000 0.04000 0.18000 0.00000 -0.47000 0.00000 -0.29000 0.00000 2.38000 64.00000 PIN3_1CKA-19_23.PDB 9.32972 -6.94000 -2.49000 -3.78000 -8.64000 -0.30000 8.95000 -11.89000 1.07000 5.83000 4.85000 0.00000 0.00000 0.00000 0.10000 0.20000 0.00000 -0.41000 0.00000 -0.24000 0.00000 2.38000 64.00000 PIN3_1CKA-19_24.PDB 9.38025 -4.94000 -0.86000 -2.17000 -7.75000 -0.21000 7.24000 -10.76000 0.59000 4.62000 5.01000 0.00000 0.00000 0.00000 0.05000 0.15000 0.00000 -0.45000 0.00000 -0.27000 0.00000 2.38000 64.00000 PIN3_1CKA-19_25.PDB 9.29964 -7.41000 -1.57000 -9.46000 -8.05000 -0.44000 9.83000 -10.64000 0.87000 8.61000 4.77000 0.00000 0.00000 0.00000 0.05000 0.15000 0.00000 -0.96000 0.00000 -0.42000 0.00000 2.38000 64.00000 PIN3_1CKA-19_26.PDB 9.30259 -6.45000 -0.89000 -3.98000 -7.21000 -0.30000 6.87000 -10.19000 0.81000 4.49000 4.67000 0.00000 0.00000 0.00000 0.04000 0.06000 0.00000 -0.46000 0.00000 -0.31000 0.00000 2.38000 64.00000 PIN3_1CKA-19_27.PDB 8.53994 -5.05000 -0.89000 -2.23000 -7.87000 -0.03000 7.51000 -11.04000 0.88000 4.51000 4.56000 0.00000 0.00000 0.00000 0.06000 0.17000 0.00000 -0.43000 0.00000 -0.09000 0.00000 2.38000 64.00000 PIN3_1CKA-19_28.PDB 9.59737 -5.51000 -1.56000 -2.43000 -8.18000 -0.26000 8.34000 -10.96000 0.83000 4.77000 4.43000 0.00000 0.00000 0.00000 0.09000 0.22000 0.00000 -0.38000 0.00000 -0.22000 0.00000 2.38000 64.00000 PIN3_1CKA-19_29.PDB 9.62152 -7.19000 -0.93000 -5.67000 -8.44000 -0.44000 8.98000 -11.29000 0.85000 6.14000 4.74000 0.00000 0.00000 0.00000 0.10000 0.22000 0.00000 -0.79000 0.00000 -0.44000 0.00000 2.38000 64.00000 PIN3_1CKA-19_30.PDB 10.16961 -6.14000 -1.51000 -5.82000 -7.85000 -0.29000 8.91000 -10.04000 0.66000 6.30000 4.42000 0.00000 0.00000 0.00000 0.09000 0.20000 0.00000 -0.69000 0.00000 -0.29000 0.00000 2.38000 64.00000