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-25_1.PDB 7.51781 -4.52000 -0.41000 -1.90000 -8.82000 -0.68000 7.80000 -11.93000 4.53000 5.16000 2.49000 0.00000 0.00000 0.00000 0.10000 0.50000 0.00000 -0.31000 0.00000 -0.55000 0.00000 2.38000 64.00000 PIN3_1CKA-25_2.PDB 7.36341 -3.80000 -0.43000 -1.60000 -8.76000 -0.65000 8.01000 -11.73000 4.46000 4.94000 2.94000 0.00000 0.00000 0.00000 0.12000 0.51000 0.00000 -0.54000 0.00000 -0.56000 0.00000 2.38000 64.00000 PIN3_1CKA-25_3.PDB 8.14496 -4.96000 -0.96000 -2.54000 -10.38000 -0.63000 9.37000 -13.63000 4.47000 6.99000 3.02000 0.00000 0.00000 0.00000 0.38000 0.60000 0.00000 -0.50000 0.00000 -0.54000 0.00000 2.38000 64.00000 PIN3_1CKA-25_4.PDB 7.10946 -4.52000 -0.46000 -2.71000 -9.30000 -1.42000 8.82000 -12.48000 4.46000 6.14000 3.42000 0.00000 0.00000 0.00000 0.15000 0.56000 0.00000 -0.36000 0.00000 -0.80000 0.00000 2.38000 64.00000 PIN3_1CKA-25_5.PDB 9.97197 -7.40000 -0.78000 -4.65000 -10.36000 -2.35000 10.71000 -12.86000 4.65000 6.85000 2.82000 0.00000 0.00000 0.00000 0.17000 0.64000 0.00000 -0.51000 0.00000 -1.09000 0.00000 2.38000 64.00000 PIN3_1CKA-25_6.PDB 10.00464 -5.96000 -0.44000 -4.80000 -9.42000 -2.11000 9.26000 -12.01000 4.66000 6.66000 3.65000 0.00000 0.00000 0.00000 0.21000 0.60000 0.00000 -0.56000 0.00000 -1.05000 0.00000 2.38000 64.00000 PIN3_1CKA-25_7.PDB 7.93616 -6.75000 -0.74000 -1.92000 -9.72000 -0.91000 8.73000 -13.15000 4.68000 5.21000 2.21000 0.00000 0.00000 0.00000 0.14000 0.56000 0.00000 -0.76000 0.00000 -0.51000 0.00000 2.38000 64.00000 PIN3_1CKA-25_8.PDB 7.92522 -5.14000 -0.47000 -1.32000 -9.00000 -0.93000 7.93000 -12.56000 4.56000 4.58000 2.81000 0.00000 0.00000 0.00000 0.14000 0.58000 0.00000 -0.31000 0.00000 -0.56000 0.00000 2.38000 64.00000 PIN3_1CKA-25_9.PDB 5.76100 -2.82000 -0.44000 -1.52000 -8.25000 -0.52000 7.28000 -11.26000 4.39000 4.83000 3.47000 0.00000 0.00000 0.00000 0.11000 0.60000 0.00000 -0.42000 0.00000 -0.49000 0.00000 2.38000 64.00000 PIN3_1CKA-25_10.PDB 10.35649 -5.62000 -1.26000 -5.28000 -10.53000 -2.69000 11.16000 -13.02000 5.15000 8.86000 3.61000 0.00000 0.00000 0.00000 0.20000 0.80000 0.00000 -0.43000 0.00000 -1.38000 0.00000 2.38000 64.00000 PIN3_1CKA-25_11.PDB 7.43834 -4.93000 -0.71000 -2.84000 -10.28000 -1.23000 10.05000 -13.52000 5.24000 6.13000 3.47000 0.00000 0.00000 0.00000 0.18000 0.76000 0.00000 -0.79000 0.00000 -0.63000 0.00000 2.38000 64.00000 PIN3_1CKA-25_12.PDB 9.46201 -6.39000 -0.26000 -4.73000 -9.58000 -2.29000 9.97000 -12.15000 5.26000 5.85000 3.00000 0.00000 0.00000 0.00000 0.17000 0.73000 0.00000 -0.69000 0.00000 -0.96000 0.00000 2.38000 64.00000 PIN3_1CKA-25_13.PDB 7.17696 -4.80000 -0.44000 -2.50000 -9.49000 -1.27000 8.79000 -12.97000 4.60000 6.08000 3.22000 0.00000 0.00000 0.00000 0.11000 0.63000 0.00000 -0.24000 0.00000 -0.68000 0.00000 2.38000 64.00000 PIN3_1CKA-25_14.PDB 9.61120 -6.29000 -0.21000 -5.01000 -9.54000 -2.24000 9.79000 -12.17000 5.20000 5.96000 3.45000 0.00000 0.00000 0.00000 0.18000 0.67000 0.00000 -0.73000 0.00000 -0.96000 0.00000 2.38000 64.00000 PIN3_1CKA-25_15.PDB 10.28502 -5.81000 -0.25000 -2.51000 -9.73000 -1.37000 9.19000 -12.93000 5.32000 4.98000 2.76000 0.00000 0.00000 0.00000 0.16000 0.67000 0.00000 -0.85000 0.00000 -0.58000 0.00000 2.38000 64.00000 PIN3_1CKA-25_16.PDB 10.25184 -5.60000 -0.45000 -4.84000 -9.92000 -2.62000 9.99000 -12.77000 5.17000 7.90000 3.55000 0.00000 0.00000 0.00000 0.16000 0.74000 0.00000 -0.43000 0.00000 -1.35000 0.00000 2.38000 64.00000 PIN3_1CKA-25_17.PDB 10.71957 -5.90000 -0.91000 -2.44000 -10.10000 -1.32000 9.63000 -13.21000 4.45000 5.73000 3.19000 0.00000 0.00000 0.00000 0.13000 0.70000 0.00000 -0.38000 0.00000 -0.65000 0.00000 2.38000 64.00000 PIN3_1CKA-25_18.PDB 11.16135 -5.30000 -0.44000 -4.79000 -10.18000 -2.70000 10.15000 -13.00000 5.27000 7.90000 3.80000 0.00000 0.00000 0.00000 0.42000 0.70000 0.00000 -0.39000 0.00000 -1.34000 0.00000 2.38000 64.00000 PIN3_1CKA-25_19.PDB 8.18736 -6.22000 -0.74000 -1.82000 -9.64000 -1.11000 8.95000 -12.81000 4.38000 5.21000 2.26000 0.00000 0.00000 0.00000 0.12000 0.64000 0.00000 -0.30000 0.00000 -0.71000 0.00000 2.38000 64.00000 PIN3_1CKA-25_20.PDB 7.15930 -4.67000 -0.26000 -1.75000 -9.85000 -1.51000 9.92000 -12.69000 4.96000 5.46000 2.57000 0.00000 0.00000 0.00000 0.14000 0.67000 0.00000 -0.84000 0.00000 -0.82000 0.00000 2.38000 64.00000 PIN3_1CKA-25_21.PDB 7.78002 -5.35000 -0.75000 -2.55000 -10.00000 -1.25000 10.23000 -12.82000 4.69000 5.34000 2.71000 0.00000 0.00000 0.00000 0.10000 0.72000 0.00000 -0.53000 0.00000 -0.51000 0.00000 2.38000 64.00000 PIN3_1CKA-25_22.PDB 7.18430 -7.51000 -0.83000 -2.55000 -10.63000 -1.41000 10.02000 -14.15000 4.55000 6.52000 2.09000 0.00000 0.00000 0.00000 0.14000 0.83000 0.00000 -0.55000 0.00000 -0.72000 0.00000 2.38000 64.00000 PIN3_1CKA-25_23.PDB 6.92760 -4.97000 -0.18000 -2.81000 -9.47000 -1.42000 9.46000 -12.51000 4.83000 5.14000 3.21000 0.00000 0.00000 0.00000 0.15000 0.63000 0.00000 -0.73000 0.00000 -0.63000 0.00000 2.38000 64.00000 PIN3_1CKA-25_24.PDB 9.71580 -4.31000 -0.44000 -1.89000 -9.47000 -1.36000 8.87000 -12.78000 4.79000 5.63000 3.36000 0.00000 0.00000 0.00000 0.13000 0.63000 0.00000 -0.46000 0.00000 -0.69000 0.00000 2.38000 64.00000 PIN3_1CKA-25_25.PDB 7.69056 -6.08000 -0.61000 -2.69000 -10.15000 -1.22000 9.91000 -13.10000 4.92000 5.87000 2.51000 0.00000 0.00000 0.00000 0.13000 0.63000 0.00000 -1.04000 0.00000 -0.60000 0.00000 2.38000 64.00000 PIN3_1CKA-25_26.PDB 7.85915 -5.86000 -1.00000 -2.98000 -10.11000 -1.46000 9.81000 -13.30000 4.87000 6.44000 3.07000 0.00000 0.00000 0.00000 0.12000 0.67000 0.00000 -0.57000 0.00000 -0.77000 0.00000 2.38000 64.00000 PIN3_1CKA-25_27.PDB 7.04051 -5.51000 -0.40000 -1.29000 -9.78000 -0.91000 8.43000 -13.58000 4.52000 5.78000 2.54000 0.00000 0.00000 0.00000 0.13000 0.69000 0.00000 -0.32000 0.00000 -0.63000 0.00000 2.38000 64.00000 PIN3_1CKA-25_28.PDB 7.18517 -4.94000 -0.44000 -2.17000 -8.99000 -1.36000 8.41000 -12.11000 4.72000 5.30000 3.15000 0.00000 0.00000 0.00000 0.12000 0.58000 0.00000 -0.78000 0.00000 -0.79000 0.00000 2.38000 64.00000 PIN3_1CKA-25_29.PDB 10.00600 -6.72000 -0.27000 -4.91000 -9.73000 -2.11000 9.72000 -12.37000 5.26000 6.04000 3.11000 0.00000 0.00000 0.00000 0.15000 0.67000 0.00000 -0.70000 0.00000 -0.92000 0.00000 2.38000 64.00000 PIN3_1CKA-25_30.PDB 7.07278 -4.95000 -0.42000 -2.43000 -9.11000 -1.22000 8.38000 -12.28000 4.52000 5.30000 3.19000 0.00000 0.00000 0.00000 0.15000 0.51000 0.00000 -0.38000 0.00000 -0.64000 0.00000 2.38000 64.00000