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-15_1.PDB 7.14123 -5.58000 -0.61000 -2.29000 -8.29000 -0.34000 7.34000 -11.49000 1.48000 5.71000 3.73000 0.00000 0.00000 0.00000 0.08000 0.57000 0.00000 -0.38000 0.00000 -0.51000 0.00000 2.38000 64.00000 PIN3_1CKA-15_2.PDB 6.34492 -5.85000 -0.79000 -2.43000 -8.15000 -0.16000 7.14000 -11.42000 0.88000 5.39000 4.07000 0.00000 0.00000 0.00000 0.29000 0.59000 0.00000 -0.37000 0.00000 -0.31000 0.00000 2.38000 64.00000 PIN3_1CKA-15_3.PDB 8.47797 -6.11000 -0.85000 -2.48000 -7.93000 -0.12000 7.01000 -11.05000 1.06000 4.98000 3.74000 0.00000 0.00000 0.00000 0.20000 0.51000 0.00000 -0.38000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1CKA-15_4.PDB 6.90738 -6.79000 -0.59000 -2.21000 -8.15000 -0.28000 6.80000 -11.49000 0.78000 5.54000 3.65000 0.00000 0.00000 0.00000 0.04000 0.49000 0.00000 -0.36000 0.00000 -0.51000 0.00000 2.38000 64.00000 PIN3_1CKA-15_5.PDB 7.91613 -6.10000 -0.61000 -2.28000 -8.26000 -0.46000 6.84000 -11.68000 1.57000 5.58000 4.07000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.34000 0.00000 -0.58000 0.00000 2.38000 64.00000 PIN3_1CKA-15_6.PDB 4.91387 -5.22000 -0.84000 -0.82000 -8.49000 -0.26000 7.56000 -11.88000 1.56000 4.43000 3.85000 0.00000 0.00000 0.00000 0.20000 0.61000 0.00000 -0.18000 0.00000 -0.37000 0.00000 2.38000 64.00000 PIN3_1CKA-15_7.PDB 7.13282 -5.19000 -0.58000 -0.55000 -8.18000 -0.20000 6.87000 -11.47000 1.55000 4.17000 3.51000 0.00000 0.00000 0.00000 0.07000 0.60000 0.00000 -0.04000 0.00000 -0.33000 0.00000 2.38000 64.00000 PIN3_1CKA-15_8.PDB 7.77753 -5.28000 -0.63000 -2.28000 -7.94000 -0.09000 7.07000 -11.05000 1.56000 5.14000 3.48000 0.00000 0.00000 0.00000 0.13000 0.51000 0.00000 -0.44000 0.00000 -0.22000 0.00000 2.38000 64.00000 PIN3_1CKA-15_9.PDB 8.14058 -5.40000 -0.76000 -0.75000 -8.35000 -0.19000 7.13000 -11.69000 1.42000 4.53000 3.62000 0.00000 0.00000 0.00000 0.18000 0.55000 0.00000 -0.26000 0.00000 -0.30000 0.00000 2.38000 64.00000 PIN3_1CKA-15_10.PDB 7.13490 -5.11000 -0.79000 -0.76000 -8.03000 -0.24000 7.00000 -11.18000 1.37000 4.16000 4.07000 0.00000 0.00000 0.00000 0.04000 0.39000 0.00000 -0.30000 0.00000 -0.44000 0.00000 2.38000 64.00000 PIN3_1CKA-15_11.PDB 7.19028 -5.10000 -0.59000 -0.53000 -7.93000 -0.14000 6.80000 -11.04000 1.33000 3.80000 3.80000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.34000 0.00000 -0.29000 0.00000 2.38000 64.00000 PIN3_1CKA-15_12.PDB 7.34618 -5.06000 -0.61000 -0.60000 -8.10000 -0.15000 6.86000 -11.38000 1.58000 4.12000 3.67000 0.00000 0.00000 0.00000 0.07000 0.54000 0.00000 -0.23000 0.00000 -0.29000 0.00000 2.38000 64.00000 PIN3_1CKA-15_13.PDB 7.07933 -5.41000 -0.57000 -0.55000 -8.43000 -0.02000 6.90000 -11.96000 1.38000 4.40000 3.76000 0.00000 0.00000 0.00000 0.05000 0.58000 0.00000 -0.24000 0.00000 -0.13000 0.00000 2.38000 64.00000 PIN3_1CKA-15_14.PDB 7.84166 -5.44000 -0.93000 -0.86000 -8.02000 0.01000 6.66000 -11.42000 1.59000 4.01000 3.71000 0.00000 0.00000 0.00000 0.05000 0.51000 0.00000 -0.18000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-15_15.PDB 7.19669 -4.80000 -0.61000 -0.56000 -8.17000 0.03000 6.73000 -11.58000 1.59000 4.05000 3.96000 0.00000 0.00000 0.00000 0.08000 0.57000 0.00000 -0.25000 0.00000 -0.06000 0.00000 2.38000 64.00000 PIN3_1CKA-15_16.PDB 7.71450 -6.53000 -0.61000 -3.14000 -8.32000 -0.50000 7.45000 -11.51000 1.46000 5.98000 3.74000 0.00000 0.00000 0.00000 0.04000 0.56000 0.00000 -0.47000 0.00000 -0.63000 0.00000 2.38000 64.00000 PIN3_1CKA-15_17.PDB 7.78833 -5.15000 -0.61000 -0.55000 -8.17000 -0.29000 7.03000 -11.43000 1.47000 4.17000 3.93000 0.00000 0.00000 0.00000 0.04000 0.55000 0.00000 -0.30000 0.00000 -0.45000 0.00000 2.38000 64.00000 PIN3_1CKA-15_18.PDB 8.54837 -5.60000 -0.59000 -1.31000 -8.39000 -0.44000 7.18000 -11.85000 1.44000 5.46000 3.62000 0.00000 0.00000 0.00000 0.15000 0.52000 0.00000 -0.29000 0.00000 -0.58000 0.00000 2.38000 64.00000 PIN3_1CKA-15_19.PDB 7.78855 -5.05000 -0.88000 -2.50000 -8.14000 -0.19000 6.99000 -11.48000 2.85000 5.07000 3.69000 0.00000 0.00000 0.00000 0.07000 0.69000 0.00000 -0.29000 0.00000 -0.26000 0.00000 2.38000 64.00000 PIN3_1CKA-15_20.PDB 7.04014 -4.98000 -0.61000 -0.56000 -7.77000 -0.10000 6.70000 -10.82000 1.59000 3.48000 3.47000 0.00000 0.00000 0.00000 0.06000 0.52000 0.00000 -0.17000 0.00000 -0.26000 0.00000 2.38000 64.00000 PIN3_1CKA-15_21.PDB 8.31839 -5.67000 -0.63000 -2.26000 -8.02000 0.03000 6.52000 -11.42000 1.66000 5.04000 3.58000 0.00000 0.00000 0.00000 0.17000 0.48000 0.00000 -0.26000 0.00000 -0.08000 0.00000 2.38000 64.00000 PIN3_1CKA-15_22.PDB 8.12298 -5.64000 -0.84000 -0.78000 -7.91000 -0.01000 6.44000 -11.22000 1.61000 3.60000 3.67000 0.00000 0.00000 0.00000 0.17000 0.50000 0.00000 -0.31000 0.00000 -0.06000 0.00000 2.38000 64.00000 PIN3_1CKA-15_23.PDB 7.07964 -5.59000 -0.62000 -2.30000 -7.97000 -0.01000 6.97000 -11.06000 1.56000 4.81000 3.50000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.40000 0.00000 -0.11000 0.00000 2.38000 64.00000 PIN3_1CKA-15_24.PDB 6.98564 -4.35000 -0.61000 -0.55000 -8.04000 -0.45000 7.50000 -11.10000 1.36000 4.45000 3.67000 0.00000 0.00000 0.00000 0.03000 0.50000 0.00000 -0.08000 0.00000 -0.53000 0.00000 2.38000 64.00000 PIN3_1CKA-15_25.PDB 7.25058 -5.19000 -0.59000 -0.52000 -7.88000 -0.15000 6.91000 -10.91000 1.50000 3.59000 3.51000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.37000 0.00000 -0.31000 0.00000 2.38000 64.00000 PIN3_1CKA-15_26.PDB 7.25650 -6.24000 -0.89000 -0.83000 -8.02000 -0.23000 6.94000 -11.20000 0.81000 3.86000 3.89000 0.00000 0.00000 0.00000 0.07000 0.64000 0.00000 -0.23000 0.00000 -0.41000 0.00000 2.38000 64.00000 PIN3_1CKA-15_27.PDB 6.74621 -5.19000 -0.60000 -0.54000 -7.89000 -0.04000 6.81000 -10.95000 1.61000 3.46000 3.28000 0.00000 0.00000 0.00000 0.05000 0.61000 0.00000 -0.25000 0.00000 -0.12000 0.00000 2.38000 64.00000 PIN3_1CKA-15_28.PDB 7.93740 -5.53000 -0.85000 -0.76000 -7.74000 0.05000 6.34000 -11.05000 1.53000 3.47000 3.64000 0.00000 0.00000 0.00000 0.16000 0.45000 0.00000 -0.30000 0.00000 -0.03000 0.00000 2.38000 64.00000 PIN3_1CKA-15_29.PDB 8.19408 -5.93000 -0.58000 -0.55000 -8.23000 0.04000 6.74000 -11.66000 0.86000 4.12000 3.40000 0.00000 0.00000 0.00000 0.22000 0.62000 0.00000 -0.25000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-15_30.PDB 7.03453 -3.83000 -0.56000 -0.55000 -7.57000 -0.02000 6.31000 -10.62000 1.83000 3.67000 3.98000 0.00000 0.00000 0.00000 0.06000 0.49000 0.00000 -0.23000 0.00000 -0.13000 0.00000 2.38000 64.00000