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-23_1.PDB 6.81000 -37.90000 -8.32000 -60.67000 -0.85000 70.48000 -79.26000 15.15000 28.74000 79.19000 0.00000 0.00000 0.00000 2.20000 15.90000 0.00000 -1.96000 0.00000 0.01000 0.00000 0.00000 62.00000 PIN3_1CKA-23_2.PDB 6.46000 -38.42000 -8.05000 -60.45000 -0.86000 70.11000 -79.46000 15.06000 28.36000 79.89000 0.00000 0.00000 0.00000 2.04000 15.76000 0.00000 -1.73000 0.00000 -0.01000 0.00000 0.00000 62.00000 PIN3_1CKA-23_3.PDB 6.29000 -37.52000 -7.09000 -60.65000 -0.87000 69.36000 -79.76000 15.07000 28.12000 79.32000 0.00000 0.00000 0.00000 2.03000 15.90000 0.00000 -1.70000 0.00000 -0.01000 0.00000 0.00000 62.00000 PIN3_1CKA-23_4.PDB 7.89000 -38.24000 -7.81000 -60.82000 -1.38000 70.84000 -79.35000 14.90000 29.41000 80.12000 0.00000 0.00000 0.00000 2.17000 15.85000 0.00000 -1.84000 0.00000 -0.10000 0.00000 0.00000 62.00000 PIN3_1CKA-23_5.PDB 6.85000 -38.16000 -7.76000 -60.26000 -0.68000 70.27000 -79.19000 14.95000 28.16000 79.44000 0.00000 0.00000 0.00000 2.03000 15.81000 0.00000 -2.10000 0.00000 0.14000 0.00000 0.00000 62.00000 PIN3_1CKA-23_6.PDB 5.64000 -39.08000 -10.39000 -61.47000 -1.28000 72.20000 -80.27000 15.05000 30.90000 79.80000 0.00000 0.00000 0.00000 2.05000 15.90000 0.00000 -1.82000 0.00000 -0.04000 0.00000 0.00000 62.00000 PIN3_1CKA-23_7.PDB 7.03000 -39.11000 -10.37000 -61.36000 -1.14000 71.85000 -80.09000 14.94000 30.85000 81.25000 0.00000 0.00000 0.00000 2.23000 15.93000 0.00000 -2.03000 0.00000 -0.01000 0.00000 0.00000 62.00000 PIN3_1CKA-23_8.PDB 7.08000 -38.32000 -7.78000 -60.96000 -1.21000 70.15000 -79.84000 14.97000 29.40000 80.44000 0.00000 0.00000 0.00000 2.19000 15.87000 0.00000 -1.87000 0.00000 -0.10000 0.00000 0.00000 62.00000 PIN3_1CKA-23_9.PDB 7.26000 -38.58000 -9.16000 -60.89000 -1.34000 71.46000 -79.68000 15.01000 29.83000 80.48000 0.00000 0.00000 0.00000 2.35000 15.87000 0.00000 -2.29000 0.00000 0.08000 0.00000 0.00000 62.00000 PIN3_1CKA-23_10.PDB 7.54000 -38.81000 -8.41000 -60.52000 -1.20000 70.58000 -79.22000 14.91000 29.21000 80.86000 0.00000 0.00000 0.00000 2.16000 15.73000 0.00000 -1.91000 0.00000 -0.12000 0.00000 0.00000 62.00000 PIN3_1CKA-23_11.PDB 6.15000 -37.83000 -8.01000 -60.74000 -0.84000 70.49000 -79.46000 15.04000 28.72000 78.59000 0.00000 0.00000 0.00000 2.20000 15.80000 0.00000 -1.94000 0.00000 -0.06000 0.00000 0.00000 62.00000 PIN3_1CKA-23_12.PDB 5.95000 -38.04000 -9.12000 -60.92000 -0.86000 70.91000 -79.70000 15.06000 29.73000 78.90000 0.00000 0.00000 0.00000 2.01000 15.73000 0.00000 -1.96000 0.00000 -0.08000 0.00000 0.00000 62.00000 PIN3_1CKA-23_13.PDB 6.98000 -38.10000 -7.69000 -60.48000 -0.87000 70.12000 -79.11000 14.93000 28.49000 79.44000 0.00000 0.00000 0.00000 2.01000 15.78000 0.00000 -1.71000 0.00000 -0.06000 0.00000 0.00000 62.00000 PIN3_1CKA-23_14.PDB 5.61000 -37.50000 -7.34000 -60.76000 -0.86000 69.65000 -79.79000 14.88000 28.37000 78.69000 0.00000 0.00000 0.00000 2.04000 15.87000 0.00000 -1.70000 0.00000 -0.06000 0.00000 0.00000 62.00000 PIN3_1CKA-23_15.PDB 7.05000 -37.77000 -7.99000 -60.74000 -0.95000 70.61000 -79.37000 15.12000 28.71000 79.41000 0.00000 0.00000 0.00000 2.23000 15.81000 0.00000 -2.01000 0.00000 -0.19000 0.00000 0.00000 62.00000 PIN3_1CKA-23_16.PDB 7.63000 -37.48000 -7.06000 -60.53000 -1.05000 70.37000 -79.20000 14.82000 28.16000 79.46000 0.00000 0.00000 0.00000 2.11000 15.71000 0.00000 -1.74000 0.00000 -0.23000 0.00000 0.00000 62.00000 PIN3_1CKA-23_17.PDB 5.72000 -38.17000 -8.76000 -60.63000 -0.76000 70.77000 -79.57000 14.98000 28.73000 78.97000 0.00000 0.00000 0.00000 2.25000 15.79000 0.00000 -2.19000 0.00000 0.10000 0.00000 0.00000 62.00000 PIN3_1CKA-23_18.PDB 6.45000 -38.25000 -7.82000 -60.98000 -0.98000 70.57000 -79.79000 15.11000 28.98000 79.51000 0.00000 0.00000 0.00000 2.05000 15.86000 0.00000 -1.76000 0.00000 -0.19000 0.00000 0.00000 62.00000 PIN3_1CKA-23_19.PDB 5.57000 -39.03000 -8.64000 -60.75000 -0.88000 70.77000 -79.53000 14.66000 29.03000 79.83000 0.00000 0.00000 0.00000 2.03000 15.81000 0.00000 -1.85000 0.00000 -0.08000 0.00000 0.00000 62.00000 PIN3_1CKA-23_20.PDB 5.57000 -38.26000 -7.87000 -60.91000 -1.08000 70.70000 -79.87000 14.88000 28.76000 79.22000 0.00000 0.00000 0.00000 2.01000 15.68000 0.00000 -1.70000 0.00000 -0.31000 0.00000 0.00000 62.00000 PIN3_1CKA-23_21.PDB 5.98000 -38.12000 -7.96000 -60.82000 -0.87000 69.74000 -79.81000 14.90000 29.03000 79.74000 0.00000 0.00000 0.00000 2.02000 15.84000 0.00000 -1.79000 0.00000 -0.08000 0.00000 0.00000 62.00000 PIN3_1CKA-23_22.PDB 5.92000 -38.02000 -9.36000 -61.10000 -0.95000 71.08000 -79.99000 14.95000 29.45000 79.76000 0.00000 0.00000 0.00000 2.00000 15.81000 0.00000 -1.74000 0.00000 -0.18000 0.00000 0.00000 62.00000 PIN3_1CKA-23_23.PDB 6.58000 -37.50000 -8.84000 -60.92000 -1.01000 70.72000 -79.85000 14.97000 29.54000 79.26000 0.00000 0.00000 0.00000 2.12000 15.78000 0.00000 -1.81000 0.00000 -0.08000 0.00000 0.00000 62.00000 PIN3_1CKA-23_24.PDB 7.99000 -38.08000 -7.61000 -60.68000 -1.07000 70.46000 -79.35000 14.96000 28.69000 80.48000 0.00000 0.00000 0.00000 2.16000 15.78000 0.00000 -1.75000 0.00000 -0.23000 0.00000 0.00000 62.00000 PIN3_1CKA-23_25.PDB 6.91000 -37.99000 -8.90000 -60.59000 -0.76000 70.88000 -79.50000 15.20000 28.52000 79.78000 0.00000 0.00000 0.00000 2.04000 15.80000 0.00000 -1.89000 0.00000 0.12000 0.00000 0.00000 62.00000 PIN3_1CKA-23_26.PDB 6.11000 -37.48000 -7.07000 -60.70000 -0.94000 69.49000 -79.84000 14.90000 28.20000 79.59000 0.00000 0.00000 0.00000 2.02000 15.81000 0.00000 -1.82000 0.00000 -0.23000 0.00000 0.00000 62.00000 PIN3_1CKA-23_27.PDB 6.37000 -39.23000 -8.82000 -60.85000 -1.00000 70.76000 -79.71000 15.62000 29.39000 79.99000 0.00000 0.00000 0.00000 2.10000 15.90000 0.00000 -1.69000 0.00000 -0.21000 0.00000 0.00000 62.00000 PIN3_1CKA-23_28.PDB 6.50000 -37.51000 -7.06000 -60.73000 -1.01000 69.64000 -79.79000 14.87000 28.27000 79.62000 0.00000 0.00000 0.00000 2.13000 15.84000 0.00000 -1.73000 0.00000 -0.20000 0.00000 0.00000 62.00000 PIN3_1CKA-23_29.PDB 5.68000 -38.88000 -10.14000 -61.60000 -1.11000 71.82000 -80.39000 15.09000 30.71000 80.13000 0.00000 0.00000 0.00000 2.05000 15.84000 0.00000 -1.72000 0.00000 -0.28000 0.00000 0.00000 62.00000 PIN3_1CKA-23_30.PDB 8.28000 -37.49000 -7.04000 -60.55000 -0.85000 70.19000 -79.30000 14.88000 28.07000 80.01000 0.00000 0.00000 0.00000 2.07000 15.84000 0.00000 -1.71000 0.00000 0.01000 0.00000 0.00000 62.00000