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-8_1.PDB 4.79000 -37.05000 -8.02000 -64.60000 -0.62000 72.02000 -85.86000 15.21000 30.88000 80.02000 0.00000 0.00000 0.00000 4.46000 14.20000 0.00000 -1.78000 0.00000 0.13000 0.00000 0.00000 63.00000 PIN3_1CKA-8_2.PDB 5.31000 -36.99000 -6.72000 -62.86000 -0.71000 71.17000 -83.41000 13.55000 28.99000 79.78000 0.00000 0.00000 0.00000 4.15000 14.04000 0.00000 -1.73000 0.00000 0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_3.PDB 3.66000 -36.94000 -6.70000 -63.12000 -0.79000 71.00000 -83.85000 13.30000 29.18000 79.75000 0.00000 0.00000 0.00000 3.51000 14.04000 0.00000 -1.75000 0.00000 0.07000 0.00000 0.00000 63.00000 PIN3_1CKA-8_4.PDB 6.29000 -37.08000 -8.30000 -64.28000 -0.88000 72.09000 -85.34000 16.12000 31.07000 80.92000 0.00000 0.00000 0.00000 3.79000 14.12000 0.00000 -1.72000 0.00000 -0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_5.PDB 5.40000 -36.96000 -6.72000 -62.94000 -0.93000 71.12000 -83.60000 13.53000 29.12000 80.67000 0.00000 0.00000 0.00000 3.74000 14.04000 0.00000 -1.58000 0.00000 -0.05000 0.00000 0.00000 63.00000 PIN3_1CKA-8_6.PDB 6.42000 -37.01000 -6.75000 -63.15000 -0.96000 71.49000 -83.75000 13.81000 29.23000 80.82000 0.00000 0.00000 0.00000 4.44000 14.05000 0.00000 -1.63000 0.00000 -0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-8_7.PDB 4.90000 -36.96000 -6.68000 -64.45000 -0.78000 71.99000 -85.81000 14.48000 29.74000 81.18000 0.00000 0.00000 0.00000 3.76000 14.12000 0.00000 -1.56000 0.00000 -0.00000 0.00000 0.00000 63.00000 PIN3_1CKA-8_8.PDB 6.24000 -36.96000 -6.71000 -62.91000 -0.88000 71.32000 -83.49000 13.67000 29.17000 80.71000 0.00000 0.00000 0.00000 3.85000 13.98000 0.00000 -1.52000 0.00000 -0.01000 0.00000 0.00000 63.00000 PIN3_1CKA-8_9.PDB 2.46000 -36.94000 -6.68000 -63.83000 -0.63000 71.05000 -85.12000 13.44000 29.36000 78.71000 0.00000 0.00000 0.00000 4.50000 14.10000 0.00000 -1.52000 0.00000 0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-8_10.PDB 5.46000 -37.10000 -8.43000 -64.30000 -0.64000 72.23000 -85.17000 15.19000 30.78000 80.08000 0.00000 0.00000 0.00000 4.36000 14.23000 0.00000 -1.65000 0.00000 0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-8_11.PDB 5.39000 -36.98000 -6.73000 -63.29000 -0.89000 71.51000 -83.99000 13.21000 29.22000 80.85000 0.00000 0.00000 0.00000 3.98000 14.08000 0.00000 -1.46000 0.00000 -0.03000 0.00000 0.00000 63.00000 PIN3_1CKA-8_12.PDB 6.41000 -36.96000 -6.70000 -64.11000 -0.64000 72.09000 -84.95000 14.48000 29.71000 80.86000 0.00000 0.00000 0.00000 4.25000 14.09000 0.00000 -1.73000 0.00000 0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-8_13.PDB 3.26000 -36.99000 -6.73000 -62.24000 -0.82000 70.19000 -82.72000 13.64000 28.75000 78.37000 0.00000 0.00000 0.00000 3.47000 13.99000 0.00000 -1.73000 0.00000 0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_14.PDB 4.66000 -36.94000 -6.70000 -62.54000 -0.76000 70.97000 -82.80000 13.36000 28.77000 79.76000 0.00000 0.00000 0.00000 3.19000 14.04000 0.00000 -1.73000 0.00000 0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_15.PDB 3.10000 -36.98000 -6.73000 -62.27000 -0.76000 70.26000 -82.74000 12.93000 28.80000 78.45000 0.00000 0.00000 0.00000 3.79000 14.01000 0.00000 -1.71000 0.00000 0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_16.PDB 7.22000 -36.98000 -6.69000 -63.12000 -0.83000 71.78000 -83.37000 14.45000 29.21000 81.03000 0.00000 0.00000 0.00000 3.22000 14.08000 0.00000 -1.57000 0.00000 0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_17.PDB 4.24000 -36.95000 -6.67000 -62.82000 -0.77000 70.93000 -83.29000 12.90000 29.21000 79.75000 0.00000 0.00000 0.00000 3.35000 14.03000 0.00000 -1.50000 0.00000 0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_18.PDB 6.19000 -36.95000 -6.67000 -63.35000 -0.71000 71.81000 -83.74000 13.23000 29.52000 80.85000 0.00000 0.00000 0.00000 3.73000 14.12000 0.00000 -1.61000 0.00000 0.09000 0.00000 0.00000 63.00000 PIN3_1CKA-8_19.PDB 6.11000 -36.94000 -6.60000 -63.81000 -0.36000 71.06000 -84.99000 16.82000 29.17000 79.70000 0.00000 0.00000 0.00000 3.66000 14.08000 0.00000 -1.71000 0.00000 0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-8_20.PDB 5.43000 -36.93000 -6.61000 -62.53000 -0.47000 71.24000 -82.84000 13.10000 28.50000 79.56000 0.00000 0.00000 0.00000 4.01000 14.06000 0.00000 -1.70000 0.00000 0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-8_21.PDB 4.24000 -36.95000 -6.63000 -62.93000 -0.46000 70.78000 -83.64000 13.61000 28.87000 79.63000 0.00000 0.00000 0.00000 3.62000 14.05000 0.00000 -1.74000 0.00000 0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_22.PDB 6.75000 -37.73000 -7.46000 -63.90000 -0.81000 71.64000 -84.85000 17.91000 30.12000 79.87000 0.00000 0.00000 0.00000 3.82000 14.10000 0.00000 -1.86000 0.00000 -0.02000 0.00000 0.00000 63.00000 PIN3_1CKA-8_23.PDB 6.19000 -37.05000 -8.32000 -64.25000 -0.88000 72.21000 -85.11000 15.79000 30.78000 81.16000 0.00000 0.00000 0.00000 3.66000 14.20000 0.00000 -1.71000 0.00000 -0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_24.PDB 7.45000 -37.09000 -8.35000 -64.58000 -0.90000 72.76000 -85.43000 14.56000 31.31000 82.26000 0.00000 0.00000 0.00000 4.63000 14.11000 0.00000 -1.59000 0.00000 -0.11000 0.00000 0.00000 63.00000 PIN3_1CKA-8_25.PDB 4.86000 -36.94000 -6.68000 -62.32000 -1.11000 70.58000 -82.75000 13.66000 28.92000 79.35000 0.00000 0.00000 0.00000 3.84000 14.05000 0.00000 -1.51000 0.00000 -0.17000 0.00000 0.00000 63.00000 PIN3_1CKA-8_26.PDB 5.91000 -36.96000 -6.71000 -62.50000 -1.02000 71.33000 -82.64000 12.85000 28.97000 80.75000 0.00000 0.00000 0.00000 3.41000 14.07000 0.00000 -1.45000 0.00000 -0.11000 0.00000 0.00000 63.00000 PIN3_1CKA-8_27.PDB 3.08000 -37.76000 -7.50000 -62.99000 -0.97000 71.16000 -83.45000 13.43000 29.99000 79.64000 0.00000 0.00000 0.00000 3.13000 14.09000 0.00000 -1.50000 0.00000 -0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-8_28.PDB 6.51000 -37.82000 -7.54000 -63.53000 -0.91000 72.17000 -83.94000 14.39000 30.20000 81.17000 0.00000 0.00000 0.00000 3.98000 14.12000 0.00000 -1.62000 0.00000 -0.04000 0.00000 0.00000 63.00000 PIN3_1CKA-8_29.PDB 7.23000 -37.74000 -7.51000 -63.35000 -0.93000 72.86000 -83.36000 13.14000 30.15000 82.08000 0.00000 0.00000 0.00000 3.48000 14.02000 0.00000 -1.59000 0.00000 0.00000 0.00000 0.00000 63.00000 PIN3_1CKA-8_30.PDB 5.81000 -37.03000 -6.73000 -63.87000 -0.73000 71.29000 -85.03000 16.16000 29.27000 79.73000 0.00000 0.00000 0.00000 4.32000 14.15000 0.00000 -1.56000 0.00000 -0.01000 0.00000 0.00000 63.00000