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-17_1.PDB 9.33865 -8.07000 -0.94000 -7.34000 -10.10000 -0.12000 9.95000 -13.72000 2.19000 8.29000 4.77000 0.00000 0.00000 0.00000 0.17000 0.56000 0.00000 -1.04000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKA-17_2.PDB 9.50967 -7.25000 -0.86000 -3.86000 -9.98000 0.04000 8.88000 -13.95000 2.12000 6.48000 4.38000 0.00000 0.00000 0.00000 0.24000 0.69000 0.00000 -0.67000 0.00000 -0.07000 0.00000 2.38000 64.00000 PIN3_1CKA-17_3.PDB 8.58118 -8.31000 -1.42000 -5.62000 -9.99000 -0.14000 9.84000 -13.53000 2.21000 6.95000 4.40000 0.00000 0.00000 0.00000 0.19000 0.70000 0.00000 -1.02000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKA-17_4.PDB 8.31631 -8.23000 -0.96000 -3.98000 -9.35000 0.02000 8.36000 -13.13000 2.19000 5.42000 3.81000 0.00000 0.00000 0.00000 0.21000 0.55000 0.00000 -0.73000 0.00000 -0.09000 0.00000 2.38000 64.00000 PIN3_1CKA-17_5.PDB 9.13018 -9.80000 -0.95000 -6.18000 -9.53000 -0.18000 8.94000 -13.26000 2.02000 7.19000 3.42000 0.00000 0.00000 0.00000 0.09000 0.59000 0.00000 -1.09000 0.00000 -0.26000 0.00000 2.38000 64.00000 PIN3_1CKA-17_6.PDB 8.35012 -7.44000 -0.99000 -5.68000 -9.10000 -0.13000 9.02000 -12.63000 2.18000 6.29000 4.80000 0.00000 0.00000 0.00000 0.17000 0.59000 0.00000 -1.19000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1CKA-17_7.PDB 10.05537 -10.19000 -0.96000 -5.67000 -9.69000 -0.08000 8.74000 -13.78000 1.16000 6.57000 4.35000 0.00000 0.00000 0.00000 0.32000 0.51000 0.00000 -1.04000 0.00000 -0.12000 0.00000 2.38000 64.00000 PIN3_1CKA-17_8.PDB 8.24769 -8.83000 -0.91000 -7.21000 -9.65000 -0.21000 9.37000 -13.28000 2.14000 7.20000 4.97000 0.00000 0.00000 0.00000 0.16000 0.64000 0.00000 -1.12000 0.00000 -0.30000 0.00000 2.38000 64.00000 PIN3_1CKA-17_9.PDB 8.89752 -8.44000 -1.31000 -5.76000 -9.90000 -0.17000 10.02000 -13.26000 2.04000 6.82000 4.61000 0.00000 0.00000 0.00000 0.18000 0.66000 0.00000 -1.49000 0.00000 -0.21000 0.00000 2.38000 64.00000 PIN3_1CKA-17_10.PDB 8.94833 -9.98000 -0.98000 -5.39000 -9.89000 -0.10000 8.88000 -14.12000 2.08000 6.64000 4.44000 0.00000 0.00000 0.00000 0.19000 0.73000 0.00000 -1.61000 0.00000 -0.13000 0.00000 2.38000 64.00000 PIN3_1CKA-17_11.PDB 9.07516 -8.19000 -1.21000 -5.57000 -9.69000 -0.14000 9.74000 -13.05000 1.81000 6.61000 4.65000 0.00000 0.00000 0.00000 0.16000 0.55000 0.00000 -1.34000 0.00000 -0.15000 0.00000 2.38000 64.00000 PIN3_1CKA-17_12.PDB 8.34884 -9.96000 -0.90000 -5.53000 -9.62000 -0.11000 8.70000 -13.72000 1.98000 6.39000 4.27000 0.00000 0.00000 0.00000 0.18000 0.66000 0.00000 -1.46000 0.00000 -0.14000 0.00000 2.38000 64.00000 PIN3_1CKA-17_13.PDB 9.26390 -8.98000 -1.27000 -5.76000 -10.38000 -0.15000 10.02000 -14.17000 2.80000 7.21000 3.83000 0.00000 0.00000 0.00000 0.11000 0.65000 0.00000 -1.05000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1CKA-17_14.PDB 9.47728 -8.53000 -0.98000 -6.21000 -9.75000 -0.25000 9.39000 -13.16000 1.98000 6.68000 4.57000 0.00000 0.00000 0.00000 0.21000 0.61000 0.00000 -0.76000 0.00000 -0.25000 0.00000 2.38000 64.00000 PIN3_1CKA-17_15.PDB 8.58362 -6.91000 -1.53000 -2.40000 -9.97000 0.02000 9.07000 -13.72000 3.01000 5.55000 3.53000 0.00000 0.00000 0.00000 0.21000 0.57000 0.00000 -0.63000 0.00000 -0.04000 0.00000 2.38000 64.00000 PIN3_1CKA-17_16.PDB 9.53228 -9.11000 -1.77000 -3.13000 -9.79000 0.06000 8.84000 -13.44000 1.75000 5.25000 3.67000 0.00000 0.00000 0.00000 0.21000 0.63000 0.00000 -0.73000 0.00000 -0.03000 0.00000 2.38000 64.00000 PIN3_1CKA-17_17.PDB 10.32873 -9.30000 -1.54000 -5.90000 -10.52000 -0.17000 10.30000 -14.13000 2.54000 7.21000 3.77000 0.00000 0.00000 0.00000 0.27000 0.73000 0.00000 -0.93000 0.00000 -0.20000 0.00000 2.38000 64.00000 PIN3_1CKA-17_18.PDB 9.27468 -8.84000 -0.91000 -7.39000 -10.31000 -0.23000 10.19000 -13.66000 2.26000 7.90000 4.56000 0.00000 0.00000 0.00000 0.21000 0.75000 0.00000 -1.29000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKA-17_19.PDB 8.30733 -9.25000 -0.90000 -2.21000 -9.41000 0.11000 7.61000 -13.80000 1.94000 4.79000 3.15000 0.00000 0.00000 0.00000 0.19000 0.52000 0.00000 -0.76000 0.00000 0.03000 0.00000 2.38000 64.00000 PIN3_1CKA-17_20.PDB 9.13813 -9.58000 -0.89000 -5.60000 -9.91000 -0.09000 8.85000 -14.17000 2.12000 6.76000 4.37000 0.00000 0.00000 0.00000 0.18000 0.63000 0.00000 -1.08000 0.00000 -0.14000 0.00000 2.38000 64.00000 PIN3_1CKA-17_21.PDB 8.56460 -8.62000 -1.55000 -3.58000 -9.53000 0.00000 8.66000 -12.86000 2.06000 5.76000 3.09000 0.00000 0.00000 0.00000 0.10000 0.64000 0.00000 -0.68000 0.00000 -0.09000 0.00000 2.38000 64.00000 PIN3_1CKA-17_22.PDB 8.80464 -8.40000 -1.55000 -5.94000 -10.22000 -0.15000 9.99000 -13.82000 3.29000 7.10000 3.77000 0.00000 0.00000 0.00000 0.19000 0.67000 0.00000 -0.89000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1CKA-17_23.PDB 8.57397 -9.15000 -1.48000 -4.45000 -9.78000 -0.22000 9.38000 -13.15000 2.11000 6.15000 3.53000 0.00000 0.00000 0.00000 0.24000 0.65000 0.00000 -1.29000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1CKA-17_24.PDB 9.42685 -9.79000 -0.90000 -1.89000 -10.80000 -1.62000 9.99000 -15.26000 2.76000 5.20000 3.66000 0.00000 0.00000 0.00000 0.20000 0.65000 0.00000 -0.61000 0.00000 -0.51000 0.00000 2.38000 64.00000 PIN3_1CKA-17_25.PDB 8.43249 -9.61000 -0.90000 -5.66000 -9.65000 -0.15000 8.87000 -13.61000 2.12000 6.01000 4.36000 0.00000 0.00000 0.00000 0.21000 0.62000 0.00000 -1.07000 0.00000 -0.15000 0.00000 2.38000 64.00000 PIN3_1CKA-17_26.PDB 9.39713 -9.14000 -1.77000 -4.45000 -10.45000 0.19000 9.71000 -14.46000 1.97000 6.25000 4.73000 0.00000 0.00000 0.00000 0.18000 0.67000 0.00000 -1.12000 0.00000 0.06000 0.00000 2.38000 64.00000 PIN3_1CKA-17_27.PDB 9.28914 -7.69000 -1.42000 -2.07000 -9.84000 -0.00000 9.10000 -13.43000 2.17000 4.99000 3.73000 0.00000 0.00000 0.00000 0.20000 0.48000 0.00000 -1.05000 0.00000 -0.08000 0.00000 2.38000 64.00000 PIN3_1CKA-17_28.PDB 8.53516 -8.23000 -0.97000 -7.37000 -9.05000 -0.15000 9.01000 -12.43000 2.11000 6.85000 4.90000 0.00000 0.00000 0.00000 0.16000 0.56000 0.00000 -1.03000 0.00000 -0.25000 0.00000 2.38000 64.00000 PIN3_1CKA-17_29.PDB 8.31680 -8.47000 -0.90000 -7.37000 -9.76000 -0.19000 9.53000 -13.43000 2.95000 7.34000 4.24000 0.00000 0.00000 0.00000 0.16000 0.60000 0.00000 -0.80000 0.00000 -0.26000 0.00000 2.38000 64.00000 PIN3_1CKA-17_30.PDB 9.14622 -8.73000 -1.43000 -5.73000 -10.45000 -0.11000 10.10000 -14.23000 2.80000 7.49000 3.74000 0.00000 0.00000 0.00000 0.12000 0.62000 0.00000 -0.85000 0.00000 -0.19000 0.00000 2.38000 64.00000