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-11_1.PDB 8.29000 -38.01000 -7.65000 -62.14000 -1.03000 73.51000 -80.65000 12.02000 30.07000 80.03000 0.00000 0.00000 0.00000 3.62000 16.26000 0.00000 -1.15000 0.00000 -0.32000 0.00000 0.00000 62.00000 PIN3_1CKA-11_2.PDB 8.81000 -37.13000 -10.08000 -61.59000 -1.23000 73.12000 -80.11000 13.72000 30.23000 80.69000 0.00000 0.00000 0.00000 2.96000 16.11000 0.00000 -1.36000 0.00000 -0.41000 0.00000 0.00000 62.00000 PIN3_1CKA-11_3.PDB 8.40000 -38.83000 -9.77000 -62.42000 -0.94000 74.56000 -80.95000 12.34000 31.28000 80.72000 0.00000 0.00000 0.00000 3.85000 16.34000 0.00000 -1.23000 0.00000 -0.21000 0.00000 0.00000 62.00000 PIN3_1CKA-11_4.PDB 9.14000 -37.98000 -8.94000 -61.51000 -0.97000 73.28000 -79.71000 11.94000 30.09000 81.03000 0.00000 0.00000 0.00000 3.61000 16.01000 0.00000 -1.39000 0.00000 -0.31000 0.00000 0.00000 62.00000 PIN3_1CKA-11_5.PDB 11.11000 -37.11000 -9.77000 -61.40000 -1.00000 72.96000 -79.71000 14.10000 29.96000 81.68000 0.00000 0.00000 0.00000 3.02000 16.05000 0.00000 -1.31000 0.00000 -0.32000 0.00000 0.00000 62.00000 PIN3_1CKA-11_6.PDB 7.96000 -37.98000 -8.93000 -62.86000 -0.95000 74.10000 -81.67000 12.94000 30.72000 81.23000 0.00000 0.00000 0.00000 2.89000 16.47000 0.00000 -1.24000 0.00000 -0.28000 0.00000 0.00000 62.00000 PIN3_1CKA-11_7.PDB 9.30000 -37.92000 -8.55000 -61.84000 -1.13000 73.36000 -80.33000 12.22000 30.29000 81.29000 0.00000 0.00000 0.00000 3.69000 16.16000 0.00000 -1.27000 0.00000 -0.51000 0.00000 0.00000 62.00000 PIN3_1CKA-11_8.PDB 7.72000 -37.96000 -11.30000 -62.63000 -1.87000 74.77000 -80.98000 12.03000 32.83000 81.80000 0.00000 0.00000 0.00000 3.82000 16.28000 0.00000 -1.72000 0.00000 -1.06000 0.00000 0.00000 62.00000 PIN3_1CKA-11_9.PDB 9.92000 -37.81000 -8.77000 -61.81000 -1.07000 73.26000 -80.32000 12.07000 30.12000 82.15000 0.00000 0.00000 0.00000 3.83000 16.17000 0.00000 -1.25000 0.00000 -0.48000 0.00000 0.00000 62.00000 PIN3_1CKA-11_10.PDB 9.68000 -37.95000 -8.95000 -61.75000 -1.15000 73.32000 -80.17000 12.46000 30.46000 82.18000 0.00000 0.00000 0.00000 3.04000 16.08000 0.00000 -1.25000 0.00000 -0.56000 0.00000 0.00000 62.00000 PIN3_1CKA-11_11.PDB 8.42000 -37.95000 -8.92000 -61.99000 -0.94000 73.60000 -80.42000 12.75000 30.30000 80.64000 0.00000 0.00000 0.00000 2.91000 16.08000 0.00000 -1.29000 0.00000 -0.27000 0.00000 0.00000 62.00000 PIN3_1CKA-11_12.PDB 10.01000 -37.75000 -7.84000 -61.95000 -1.21000 73.54000 -80.45000 12.00000 30.01000 81.60000 0.00000 0.00000 0.00000 3.93000 16.14000 0.00000 -1.47000 0.00000 -0.39000 0.00000 0.00000 62.00000 PIN3_1CKA-11_13.PDB 10.17000 -38.84000 -9.49000 -62.03000 -0.75000 74.39000 -80.41000 12.75000 31.13000 81.78000 0.00000 0.00000 0.00000 2.97000 16.03000 0.00000 -1.21000 0.00000 -0.12000 0.00000 0.00000 62.00000 PIN3_1CKA-11_14.PDB 7.74000 -37.98000 -8.85000 -61.79000 -1.06000 73.61000 -79.90000 12.13000 30.33000 80.25000 0.00000 0.00000 0.00000 2.62000 16.01000 0.00000 -1.28000 0.00000 -0.34000 0.00000 0.00000 62.00000 PIN3_1CKA-11_15.PDB 5.91000 -37.13000 -8.03000 -62.06000 -1.14000 72.63000 -81.25000 12.64000 29.24000 79.10000 0.00000 0.00000 0.00000 3.43000 16.28000 0.00000 -1.24000 0.00000 -0.28000 0.00000 0.00000 62.00000 PIN3_1CKA-11_16.PDB 9.96000 -38.49000 -9.51000 -62.22000 -1.14000 74.47000 -80.74000 12.14000 31.10000 82.05000 0.00000 0.00000 0.00000 4.00000 16.19000 0.00000 -1.26000 0.00000 -0.44000 0.00000 0.00000 62.00000 PIN3_1CKA-11_17.PDB 10.02000 -37.97000 -10.83000 -62.19000 -1.25000 74.30000 -80.84000 12.93000 31.44000 82.05000 0.00000 0.00000 0.00000 3.99000 16.32000 0.00000 -1.26000 0.00000 -0.34000 0.00000 0.00000 62.00000 PIN3_1CKA-11_18.PDB 8.68000 -37.09000 -8.04000 -61.97000 -1.19000 73.53000 -80.53000 11.73000 29.61000 81.51000 0.00000 0.00000 0.00000 2.91000 16.29000 0.00000 -1.44000 0.00000 -0.35000 0.00000 0.00000 62.00000 PIN3_1CKA-11_19.PDB 6.48000 -37.13000 -8.11000 -61.81000 -1.30000 72.61000 -80.95000 11.80000 29.34000 80.16000 0.00000 0.00000 0.00000 3.55000 16.22000 0.00000 -1.32000 0.00000 -0.35000 0.00000 0.00000 62.00000 PIN3_1CKA-11_20.PDB 10.42000 -38.52000 -8.08000 -61.91000 -0.77000 74.20000 -80.40000 11.90000 30.32000 81.24000 0.00000 0.00000 0.00000 3.88000 16.14000 0.00000 -1.32000 0.00000 -0.12000 0.00000 0.00000 62.00000 PIN3_1CKA-11_21.PDB 9.87000 -37.97000 -8.74000 -62.21000 -1.02000 73.97000 -80.68000 12.68000 30.52000 82.18000 0.00000 0.00000 0.00000 2.83000 16.20000 0.00000 -1.35000 0.00000 -0.34000 0.00000 0.00000 62.00000 PIN3_1CKA-11_22.PDB 10.57000 -37.14000 -9.73000 -62.05000 -1.08000 73.36000 -80.72000 14.23000 30.53000 82.15000 0.00000 0.00000 0.00000 2.81000 16.22000 0.00000 -1.31000 0.00000 -0.47000 0.00000 0.00000 62.00000 PIN3_1CKA-11_23.PDB 10.33000 -37.87000 -7.43000 -62.36000 -1.15000 73.56000 -81.20000 12.82000 30.19000 82.54000 0.00000 0.00000 0.00000 2.94000 16.36000 0.00000 -1.32000 0.00000 -0.39000 0.00000 0.00000 62.00000 PIN3_1CKA-11_24.PDB 8.98000 -38.38000 -9.18000 -61.77000 -0.98000 73.56000 -80.12000 12.08000 30.54000 81.02000 0.00000 0.00000 0.00000 3.76000 16.00000 0.00000 -1.25000 0.00000 -0.31000 0.00000 0.00000 62.00000 PIN3_1CKA-11_25.PDB 9.29000 -38.62000 -8.18000 -61.65000 -0.95000 74.13000 -79.75000 11.78000 30.44000 80.89000 0.00000 0.00000 0.00000 2.81000 15.96000 0.00000 -1.39000 0.00000 -0.21000 0.00000 0.00000 62.00000 PIN3_1CKA-11_26.PDB 10.24000 -37.48000 -8.46000 -61.42000 -1.02000 73.22000 -79.76000 11.75000 29.48000 81.68000 0.00000 0.00000 0.00000 3.80000 15.97000 0.00000 -1.23000 0.00000 -0.33000 0.00000 0.00000 62.00000 PIN3_1CKA-11_27.PDB 6.40000 -37.99000 -8.99000 -62.23000 -1.27000 73.78000 -81.41000 11.91000 30.37000 80.00000 0.00000 0.00000 0.00000 3.73000 16.32000 0.00000 -1.22000 0.00000 -0.29000 0.00000 0.00000 62.00000 PIN3_1CKA-11_28.PDB 8.68000 -38.34000 -9.31000 -62.39000 -0.97000 73.99000 -81.05000 12.01000 30.88000 81.73000 0.00000 0.00000 0.00000 3.66000 16.29000 0.00000 -1.24000 0.00000 -0.29000 0.00000 0.00000 62.00000 PIN3_1CKA-11_29.PDB 8.84000 -38.00000 -8.93000 -62.15000 -1.19000 73.84000 -80.59000 12.15000 30.60000 81.18000 0.00000 0.00000 0.00000 3.72000 16.14000 0.00000 -1.24000 0.00000 -0.54000 0.00000 0.00000 62.00000 PIN3_1CKA-11_30.PDB 9.54000 -37.62000 -8.61000 -61.55000 -0.95000 72.99000 -80.06000 12.34000 29.82000 81.23000 0.00000 0.00000 0.00000 3.86000 16.09000 0.00000 -1.43000 0.00000 -0.49000 0.00000 0.00000 62.00000