name total energy Backbone Hbon 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 5.71000 -37.37000 -7.02000 -62.48000 -0.61000 71.06000 -82.46000 13.15000 29.29000 81.25000 0.00000 0.00000 0.00000 2.49000 14.29000 0.00000 -1.49000 0.00000 -0.09000 0.00000 0.00000 63.00000 PIN3_1CKA-7_2.PDB 5.81000 -36.58000 -6.30000 -62.44000 -0.72000 71.19000 -82.30000 12.83000 28.62000 80.60000 0.00000 0.00000 0.00000 2.53000 14.14000 0.00000 -1.48000 0.00000 -0.14000 0.00000 0.00000 63.00000 PIN3_1CKA-7_3.PDB 6.31000 -36.58000 -6.29000 -61.45000 -0.71000 70.17000 -81.08000 12.87000 28.04000 80.28000 0.00000 0.00000 0.00000 2.47000 14.10000 0.00000 -1.47000 0.00000 0.05000 0.00000 0.00000 63.00000 PIN3_1CKA-7_4.PDB 5.98000 -36.49000 -7.56000 -61.90000 -0.62000 70.28000 -81.85000 12.94000 29.56000 80.85000 0.00000 0.00000 0.00000 2.41000 14.11000 0.00000 -1.56000 0.00000 -0.07000 0.00000 0.00000 63.00000 PIN3_1CKA-7_5.PDB 5.41000 -36.58000 -6.28000 -61.73000 -0.72000 70.75000 -81.28000 12.67000 28.08000 79.77000 0.00000 0.00000 0.00000 2.36000 14.07000 0.00000 -1.48000 0.00000 -0.16000 0.00000 0.00000 63.00000 PIN3_1CKA-7_6.PDB 5.62000 -37.36000 -8.89000 -62.87000 -0.79000 71.75000 -82.64000 13.83000 31.22000 80.24000 0.00000 0.00000 0.00000 2.90000 14.14000 0.00000 -1.53000 0.00000 -0.23000 0.00000 0.00000 63.00000 PIN3_1CKA-7_7.PDB 6.02000 -36.51000 -6.23000 -61.21000 -0.65000 70.10000 -80.90000 14.12000 27.79000 79.14000 0.00000 0.00000 0.00000 1.86000 13.88000 0.00000 -1.46000 0.00000 -0.04000 0.00000 0.00000 63.00000 PIN3_1CKA-7_8.PDB 6.87000 -36.60000 -6.25000 -61.84000 -0.68000 70.93000 -81.56000 13.69000 28.30000 80.11000 0.00000 0.00000 0.00000 2.31000 13.97000 0.00000 -1.48000 0.00000 -0.07000 0.00000 0.00000 63.00000 PIN3_1CKA-7_9.PDB 5.26000 -36.61000 -6.34000 -62.51000 -0.72000 71.12000 -82.31000 13.04000 28.83000 79.81000 0.00000 0.00000 0.00000 2.52000 14.05000 0.00000 -1.46000 0.00000 -0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-7_10.PDB 4.62000 -37.33000 -7.08000 -62.80000 -0.93000 71.31000 -82.66000 13.91000 29.67000 79.71000 0.00000 0.00000 0.00000 2.72000 14.02000 0.00000 -1.85000 0.00000 -0.04000 0.00000 0.00000 63.00000 PIN3_1CKA-7_11.PDB 6.39000 -36.56000 -6.29000 -61.64000 -0.65000 70.42000 -81.44000 13.09000 28.13000 80.42000 0.00000 0.00000 0.00000 2.31000 14.04000 0.00000 -1.48000 0.00000 0.09000 0.00000 0.00000 63.00000 PIN3_1CKA-7_12.PDB 5.63000 -36.58000 -6.25000 -60.72000 -0.60000 69.98000 -79.97000 12.69000 27.29000 79.04000 0.00000 0.00000 0.00000 2.11000 13.95000 0.00000 -1.47000 0.00000 0.11000 0.00000 0.00000 63.00000 PIN3_1CKA-7_13.PDB 3.50000 -37.97000 -9.41000 -62.82000 -0.89000 72.59000 -82.33000 13.35000 30.86000 79.79000 0.00000 0.00000 0.00000 2.41000 14.09000 0.00000 -1.82000 0.00000 -0.25000 0.00000 0.00000 63.00000 PIN3_1CKA-7_14.PDB 5.43000 -36.62000 -8.09000 -62.83000 -0.69000 71.05000 -82.89000 14.49000 30.34000 79.91000 0.00000 0.00000 0.00000 2.51000 14.01000 0.00000 -1.66000 0.00000 -0.09000 0.00000 0.00000 63.00000 PIN3_1CKA-7_15.PDB 5.03000 -36.58000 -6.30000 -62.03000 -0.73000 70.83000 -81.73000 13.19000 28.59000 79.16000 0.00000 0.00000 0.00000 2.06000 14.03000 0.00000 -1.40000 0.00000 -0.04000 0.00000 0.00000 63.00000 PIN3_1CKA-7_16.PDB 6.91000 -36.60000 -6.34000 -62.64000 -0.69000 71.11000 -82.57000 14.50000 28.94000 80.01000 0.00000 0.00000 0.00000 2.75000 14.04000 0.00000 -1.49000 0.00000 -0.07000 0.00000 0.00000 63.00000 PIN3_1CKA-7_17.PDB 4.63000 -37.43000 -7.13000 -61.34000 -0.74000 70.53000 -80.64000 13.17000 28.53000 78.70000 0.00000 0.00000 0.00000 2.58000 13.94000 0.00000 -1.37000 0.00000 -0.24000 0.00000 0.00000 63.00000 PIN3_1CKA-7_18.PDB 4.56000 -37.40000 -7.09000 -61.82000 -0.74000 70.47000 -81.58000 13.68000 28.91000 79.26000 0.00000 0.00000 0.00000 2.43000 14.21000 0.00000 -1.41000 0.00000 -0.16000 0.00000 0.00000 63.00000 PIN3_1CKA-7_19.PDB 7.76000 -37.84000 -9.12000 -61.22000 -0.66000 71.59000 -80.10000 13.23000 29.81000 80.35000 0.00000 0.00000 0.00000 3.74000 14.07000 0.00000 -1.79000 0.00000 -0.24000 0.00000 0.00000 63.00000 PIN3_1CKA-7_20.PDB 6.54000 -36.58000 -6.25000 -61.81000 -0.67000 71.26000 -81.27000 12.92000 28.25000 79.95000 0.00000 0.00000 0.00000 2.39000 14.09000 0.00000 -1.55000 0.00000 -0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-7_21.PDB 6.37000 -36.52000 -6.25000 -61.69000 -0.66000 70.34000 -81.42000 14.61000 28.37000 79.09000 0.00000 0.00000 0.00000 2.15000 14.03000 0.00000 -1.76000 0.00000 0.11000 0.00000 0.00000 63.00000 PIN3_1CKA-7_22.PDB 6.28000 -36.83000 -6.59000 -62.14000 -0.70000 70.66000 -82.08000 14.99000 28.83000 79.56000 0.00000 0.00000 0.00000 1.93000 14.01000 0.00000 -1.48000 0.00000 0.11000 0.00000 0.00000 63.00000 PIN3_1CKA-7_23.PDB 5.52000 -36.58000 -8.05000 -61.66000 -0.57000 70.34000 -81.41000 12.93000 29.42000 80.33000 0.00000 0.00000 0.00000 2.49000 14.05000 0.00000 -1.60000 0.00000 -0.12000 0.00000 0.00000 63.00000 PIN3_1CKA-7_24.PDB 8.04000 -37.89000 -9.31000 -61.54000 -0.99000 72.53000 -80.20000 13.35000 30.26000 81.21000 0.00000 0.00000 0.00000 2.75000 14.00000 0.00000 -1.60000 0.00000 -0.54000 0.00000 0.00000 63.00000 PIN3_1CKA-7_25.PDB 4.30000 -37.39000 -7.09000 -61.16000 -0.78000 70.04000 -80.63000 12.79000 28.56000 78.95000 0.00000 0.00000 0.00000 2.41000 14.17000 0.00000 -1.40000 0.00000 0.00000 0.00000 0.00000 63.00000 PIN3_1CKA-7_26.PDB 4.98000 -37.41000 -8.81000 -60.32000 -0.63000 69.33000 -79.70000 14.71000 28.77000 77.95000 0.00000 0.00000 0.00000 2.80000 13.92000 0.00000 -1.65000 0.00000 -0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-7_27.PDB 4.98000 -36.58000 -6.28000 -62.27000 -0.63000 70.58000 -82.29000 12.72000 28.50000 80.41000 0.00000 0.00000 0.00000 2.39000 14.21000 0.00000 -1.47000 0.00000 -0.11000 0.00000 0.00000 63.00000 PIN3_1CKA-7_28.PDB 4.22000 -36.59000 -7.89000 -61.08000 -0.66000 69.86000 -80.60000 12.67000 28.69000 79.06000 0.00000 0.00000 0.00000 2.37000 14.11000 0.00000 -1.50000 0.00000 -0.11000 0.00000 0.00000 63.00000 PIN3_1CKA-7_29.PDB 3.24000 -37.41000 -8.86000 -61.78000 -0.74000 70.62000 -81.32000 12.82000 30.56000 78.59000 0.00000 0.00000 0.00000 2.45000 14.03000 0.00000 -1.52000 0.00000 -0.16000 0.00000 0.00000 63.00000 PIN3_1CKA-7_30.PDB 8.78000 -36.55000 -8.03000 -62.18000 -1.10000 72.55000 -81.48000 13.37000 30.01000 81.93000 0.00000 0.00000 0.00000 2.41000 14.13000 0.00000 -1.63000 0.00000 -0.52000 0.00000 0.00000 63.00000