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-7_1.PDB 3.54837 -6.94000 -0.60000 -0.55000 -7.06000 -0.07000 4.76000 -10.25000 0.51000 3.25000 3.27000 0.00000 0.00000 0.00000 0.05000 0.40000 0.00000 -0.16000 0.00000 -0.09000 0.00000 2.38000 63.00000 PIN3_1CKA-7_2.PDB 3.53612 -7.38000 -0.55000 -0.56000 -6.90000 -0.12000 4.56000 -10.09000 0.42000 3.19000 2.95000 0.00000 0.00000 0.00000 0.06000 0.27000 0.00000 -0.19000 0.00000 -0.14000 0.00000 2.38000 63.00000 PIN3_1CKA-7_3.PDB 2.79618 -6.48000 -0.56000 -0.56000 -6.57000 0.02000 4.43000 -9.55000 0.58000 2.93000 2.86000 0.00000 0.00000 0.00000 0.06000 0.29000 0.00000 -0.18000 0.00000 0.05000 0.00000 2.38000 63.00000 PIN3_1CKA-7_4.PDB 3.53449 -6.95000 -0.51000 -1.87000 -6.91000 -0.04000 4.62000 -10.00000 0.65000 4.38000 3.01000 0.00000 0.00000 0.00000 0.05000 0.28000 0.00000 -0.26000 0.00000 -0.07000 0.00000 2.38000 63.00000 PIN3_1CKA-7_5.PDB 3.55020 -6.73000 -0.55000 -0.55000 -6.74000 -0.09000 4.74000 -9.62000 0.40000 3.10000 2.87000 0.00000 0.00000 0.00000 0.05000 0.26000 0.00000 -0.19000 0.00000 -0.16000 0.00000 2.38000 63.00000 PIN3_1CKA-7_6.PDB 6.30902 -7.55000 -0.54000 -2.36000 -7.58000 -0.22000 5.20000 -10.81000 1.78000 5.09000 2.38000 0.00000 0.00000 0.00000 0.15000 0.31000 0.00000 -0.40000 0.00000 -0.23000 0.00000 2.38000 63.00000 PIN3_1CKA-7_7.PDB 3.92127 -6.62000 -0.57000 -0.53000 -6.24000 -0.02000 4.36000 -8.96000 0.63000 2.75000 2.10000 0.00000 0.00000 0.00000 0.05000 0.15000 0.00000 -0.15000 0.00000 -0.04000 0.00000 2.38000 63.00000 PIN3_1CKA-7_8.PDB 3.02833 -6.64000 -0.54000 -0.52000 -6.27000 -0.05000 4.33000 -9.09000 0.45000 2.92000 2.32000 0.00000 0.00000 0.00000 0.05000 0.17000 0.00000 -0.19000 0.00000 -0.07000 0.00000 2.38000 63.00000 PIN3_1CKA-7_9.PDB 5.17898 -7.56000 -0.59000 -0.61000 -7.20000 -0.15000 5.09000 -10.21000 0.70000 3.57000 2.02000 0.00000 0.00000 0.00000 0.09000 0.19000 0.00000 -0.17000 0.00000 -0.10000 0.00000 2.38000 63.00000 PIN3_1CKA-7_10.PDB 5.57246 -6.98000 -0.51000 -0.56000 -7.02000 -0.08000 4.91000 -9.93000 1.84000 2.89000 1.95000 0.00000 0.00000 0.00000 0.12000 0.18000 0.00000 -0.55000 0.00000 -0.04000 0.00000 2.38000 63.00000 PIN3_1CKA-7_11.PDB 3.64525 -6.56000 -0.55000 -0.56000 -6.63000 0.06000 4.45000 -9.72000 0.59000 2.91000 2.95000 0.00000 0.00000 0.00000 0.05000 0.25000 0.00000 -0.19000 0.00000 0.09000 0.00000 2.38000 63.00000 PIN3_1CKA-7_12.PDB 2.69245 -6.10000 -0.55000 -0.52000 -5.89000 0.09000 4.16000 -8.46000 0.45000 2.33000 2.31000 0.00000 0.00000 0.00000 0.05000 0.14000 0.00000 -0.18000 0.00000 0.11000 0.00000 2.38000 63.00000 PIN3_1CKA-7_13.PDB 5.62294 -8.81000 -0.55000 -2.29000 -7.45000 -0.26000 5.47000 -10.32000 0.80000 4.10000 2.22000 0.00000 0.00000 0.00000 0.08000 0.24000 0.00000 -0.36000 0.00000 -0.25000 0.00000 2.38000 63.00000 PIN3_1CKA-7_14.PDB 6.58247 -7.85000 -0.59000 -2.36000 -7.07000 -0.11000 5.12000 -9.91000 0.91000 4.50000 2.05000 0.00000 0.00000 0.00000 0.08000 0.15000 0.00000 -0.37000 0.00000 -0.09000 0.00000 2.38000 63.00000 PIN3_1CKA-7_15.PDB 5.21908 -6.98000 -0.55000 -0.57000 -7.17000 -0.10000 5.14000 -10.15000 0.62000 3.65000 2.28000 0.00000 0.00000 0.00000 0.07000 0.23000 0.00000 -0.17000 0.00000 -0.04000 0.00000 2.38000 63.00000 PIN3_1CKA-7_16.PDB 5.77064 -6.38000 -0.57000 -0.61000 -7.46000 -0.10000 5.17000 -10.56000 1.87000 3.76000 2.24000 0.00000 0.00000 0.00000 0.15000 0.20000 0.00000 -0.21000 0.00000 -0.07000 0.00000 2.38000 63.00000 PIN3_1CKA-7_17.PDB 3.20624 -7.33000 -0.54000 -0.52000 -6.05000 -0.17000 4.13000 -8.74000 0.51000 2.53000 1.79000 0.00000 0.00000 0.00000 0.06000 0.18000 0.00000 -0.08000 0.00000 -0.24000 0.00000 2.38000 63.00000 PIN3_1CKA-7_18.PDB 4.07887 -7.68000 -0.58000 -0.57000 -6.79000 -0.12000 4.37000 -10.03000 0.54000 3.13000 2.57000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.11000 0.00000 -0.16000 0.00000 2.38000 63.00000 PIN3_1CKA-7_19.PDB 3.38158 -6.23000 -0.53000 -2.08000 -6.21000 -0.16000 4.78000 -8.77000 1.46000 3.57000 2.20000 0.00000 0.00000 0.00000 0.06000 0.22000 0.00000 -0.31000 0.00000 -0.24000 0.00000 2.38000 63.00000 PIN3_1CKA-7_20.PDB 2.70432 -6.06000 -0.54000 -0.51000 -6.21000 -0.08000 4.69000 -8.75000 0.52000 2.90000 2.23000 0.00000 0.00000 0.00000 0.04000 0.18000 0.00000 -0.24000 0.00000 -0.10000 0.00000 2.38000 63.00000 PIN3_1CKA-7_21.PDB 5.40912 -6.01000 -0.51000 -0.53000 -7.10000 0.03000 4.98000 -10.11000 1.85000 3.32000 2.33000 0.00000 0.00000 0.00000 0.08000 0.22000 0.00000 -0.46000 0.00000 0.11000 0.00000 2.38000 63.00000 PIN3_1CKA-7_22.PDB 6.66411 -7.12000 -0.82000 -0.85000 -6.74000 0.01000 4.80000 -9.55000 0.78000 3.31000 1.92000 0.00000 0.00000 0.00000 0.06000 0.22000 0.00000 -0.15000 0.00000 0.11000 0.00000 2.38000 63.00000 PIN3_1CKA-7_23.PDB 3.06130 -7.42000 -0.55000 -2.32000 -6.47000 -0.09000 4.49000 -9.36000 0.34000 4.24000 2.66000 0.00000 0.00000 0.00000 0.06000 0.24000 0.00000 -0.32000 0.00000 -0.12000 0.00000 2.38000 63.00000 PIN3_1CKA-7_24.PDB 3.05500 -5.89000 -0.54000 -2.23000 -6.09000 -0.56000 5.39000 -8.24000 1.36000 3.48000 2.15000 0.00000 0.00000 0.00000 0.08000 0.19000 0.00000 -0.16000 0.00000 -0.54000 0.00000 2.38000 63.00000 PIN3_1CKA-7_25.PDB 3.35904 -7.08000 -0.55000 -0.55000 -6.32000 -0.01000 4.14000 -9.29000 0.46000 2.71000 2.39000 0.00000 0.00000 0.00000 0.06000 0.33000 0.00000 -0.11000 0.00000 0.00000 0.00000 2.38000 63.00000 PIN3_1CKA-7_26.PDB 4.57127 -7.47000 -0.87000 -2.60000 -5.13000 -0.03000 3.57000 -7.51000 0.46000 3.30000 1.62000 0.00000 0.00000 0.00000 0.04000 0.10000 0.00000 -0.22000 0.00000 -0.08000 0.00000 2.38000 63.00000 PIN3_1CKA-7_27.PDB 3.42296 -7.40000 -0.55000 -0.55000 -6.82000 -0.09000 4.44000 -9.96000 0.40000 3.22000 2.74000 0.00000 0.00000 0.00000 0.06000 0.34000 0.00000 -0.18000 0.00000 -0.11000 0.00000 2.38000 63.00000 PIN3_1CKA-7_28.PDB 3.43392 -7.81000 -0.56000 -2.16000 -6.35000 -0.08000 4.29000 -9.22000 0.36000 3.84000 2.34000 0.00000 0.00000 0.00000 0.05000 0.25000 0.00000 -0.21000 0.00000 -0.11000 0.00000 2.38000 63.00000 PIN3_1CKA-7_29.PDB 5.06584 -8.35000 -0.54000 -2.29000 -6.75000 -0.17000 4.77000 -9.62000 0.47000 4.53000 1.70000 0.00000 0.00000 0.00000 0.08000 0.16000 0.00000 -0.37000 0.00000 -0.16000 0.00000 2.38000 63.00000 PIN3_1CKA-7_30.PDB 3.23454 -5.83000 -0.51000 -2.25000 -7.22000 -0.61000 6.12000 -10.00000 1.27000 4.86000 3.19000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.22000 0.00000 -0.52000 0.00000 2.38000 63.00000