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-20_1.PDB 8.01000 -38.99000 -11.71000 -65.78000 -0.75000 77.25000 -85.37000 13.50000 34.31000 85.73000 0.00000 0.00000 0.00000 2.44000 15.06000 0.00000 -2.28000 0.00000 -0.33000 0.00000 0.00000 64.00000 PIN3_1CKA-20_2.PDB 9.71000 -38.63000 -9.36000 -64.92000 -0.31000 76.84000 -84.49000 13.41000 32.33000 84.92000 0.00000 0.00000 0.00000 2.24000 15.04000 0.00000 -2.17000 0.00000 -0.16000 0.00000 0.00000 64.00000 PIN3_1CKA-20_3.PDB 9.31000 -38.07000 -9.01000 -64.69000 -0.29000 75.45000 -84.46000 13.27000 31.97000 85.43000 0.00000 0.00000 0.00000 2.28000 14.95000 0.00000 -2.35000 0.00000 -0.23000 0.00000 0.00000 64.00000 PIN3_1CKA-20_4.PDB 7.26000 -39.01000 -11.65000 -65.72000 -0.61000 77.10000 -85.24000 13.44000 34.29000 84.51000 0.00000 0.00000 0.00000 2.53000 15.11000 0.00000 -2.12000 0.00000 -0.28000 0.00000 0.00000 64.00000 PIN3_1CKA-20_5.PDB 10.95000 -38.09000 -9.12000 -64.10000 -0.24000 75.06000 -83.92000 14.09000 31.53000 85.73000 0.00000 0.00000 0.00000 2.21000 14.93000 0.00000 -2.23000 0.00000 0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-20_6.PDB 8.38000 -39.01000 -11.66000 -66.16000 -0.70000 77.81000 -85.53000 13.47000 34.41000 85.16000 0.00000 0.00000 0.00000 3.10000 15.18000 0.00000 -2.17000 0.00000 -0.33000 0.00000 0.00000 64.00000 PIN3_1CKA-20_7.PDB 11.09000 -38.11000 -9.12000 -64.04000 -0.29000 74.64000 -83.80000 14.13000 31.49000 86.10000 0.00000 0.00000 0.00000 2.25000 14.93000 0.00000 -2.21000 0.00000 0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-20_8.PDB 10.89000 -38.04000 -9.06000 -64.06000 -0.20000 74.51000 -83.94000 14.29000 31.49000 85.61000 0.00000 0.00000 0.00000 2.32000 14.98000 0.00000 -2.05000 0.00000 0.02000 0.00000 0.00000 64.00000 PIN3_1CKA-20_9.PDB 9.28000 -38.08000 -9.19000 -64.87000 -0.25000 75.53000 -84.96000 14.30000 31.82000 84.44000 0.00000 0.00000 0.00000 2.46000 15.08000 0.00000 -1.97000 0.00000 0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-20_10.PDB 9.65000 -39.28000 -10.14000 -64.88000 -0.25000 75.98000 -84.66000 14.03000 32.56000 86.24000 0.00000 0.00000 0.00000 2.18000 15.10000 0.00000 -2.17000 0.00000 0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-20_11.PDB 10.19000 -38.17000 -9.55000 -64.68000 -0.24000 75.22000 -84.74000 14.54000 31.79000 85.87000 0.00000 0.00000 0.00000 2.23000 15.05000 0.00000 -2.14000 0.00000 0.06000 0.00000 0.00000 64.00000 PIN3_1CKA-20_12.PDB 10.09000 -39.22000 -11.78000 -65.18000 -0.25000 76.72000 -84.80000 13.59000 33.90000 85.87000 0.00000 0.00000 0.00000 3.35000 15.16000 0.00000 -2.15000 0.00000 0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-20_13.PDB 9.01000 -38.63000 -9.65000 -63.73000 -0.18000 74.50000 -83.22000 12.89000 31.76000 85.76000 0.00000 0.00000 0.00000 1.90000 15.06000 0.00000 -2.43000 0.00000 0.02000 0.00000 0.00000 64.00000 PIN3_1CKA-20_14.PDB 9.34000 -38.65000 -9.73000 -64.62000 -0.22000 75.36000 -84.33000 13.22000 32.02000 85.22000 0.00000 0.00000 0.00000 3.18000 15.09000 0.00000 -2.14000 0.00000 0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-20_15.PDB 10.94000 -39.36000 -10.71000 -63.81000 -0.28000 75.26000 -82.98000 13.85000 32.32000 86.65000 0.00000 0.00000 0.00000 2.41000 14.92000 0.00000 -2.45000 0.00000 0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-20_16.PDB 9.77000 -38.59000 -9.45000 -64.06000 -0.31000 75.42000 -83.61000 12.78000 32.22000 85.34000 0.00000 0.00000 0.00000 2.49000 14.89000 0.00000 -2.43000 0.00000 -0.04000 0.00000 0.00000 64.00000 PIN3_1CKA-20_17.PDB 8.70000 -38.67000 -10.89000 -64.53000 -0.33000 75.78000 -84.26000 13.08000 33.54000 85.39000 0.00000 0.00000 0.00000 2.21000 14.91000 0.00000 -2.53000 0.00000 -0.09000 0.00000 0.00000 64.00000 PIN3_1CKA-20_18.PDB 11.28000 -39.37000 -10.31000 -65.55000 -0.49000 78.03000 -85.12000 14.34000 34.09000 85.90000 0.00000 0.00000 0.00000 2.16000 14.93000 0.00000 -2.24000 0.00000 -0.17000 0.00000 0.00000 64.00000 PIN3_1CKA-20_19.PDB 8.78000 -38.71000 -10.54000 -65.25000 -0.19000 76.40000 -85.25000 13.40000 33.73000 85.66000 0.00000 0.00000 0.00000 2.37000 14.99000 0.00000 -2.76000 0.00000 -0.08000 0.00000 0.00000 64.00000 PIN3_1CKA-20_20.PDB 8.01000 -38.13000 -8.89000 -65.71000 -0.28000 75.56000 -86.00000 13.13000 32.46000 84.09000 0.00000 0.00000 0.00000 3.84000 15.12000 0.00000 -2.02000 0.00000 -0.03000 0.00000 0.00000 64.00000 PIN3_1CKA-20_21.PDB 10.36000 -40.10000 -12.53000 -66.73000 -0.57000 79.25000 -86.41000 16.21000 35.89000 85.72000 0.00000 0.00000 0.00000 2.36000 15.14000 0.00000 -2.55000 0.00000 -0.18000 0.00000 0.00000 64.00000 PIN3_1CKA-20_22.PDB 9.20000 -38.60000 -11.07000 -64.48000 -0.33000 75.91000 -84.14000 13.06000 33.65000 85.44000 0.00000 0.00000 0.00000 2.29000 14.85000 0.00000 -2.46000 0.00000 -0.06000 0.00000 0.00000 64.00000 PIN3_1CKA-20_23.PDB 9.81000 -39.62000 -11.88000 -66.29000 -0.46000 78.40000 -85.83000 14.70000 35.25000 85.74000 0.00000 0.00000 0.00000 2.35000 15.05000 0.00000 -2.32000 0.00000 -0.22000 0.00000 0.00000 64.00000 PIN3_1CKA-20_24.PDB 9.58000 -39.01000 -11.56000 -65.99000 -0.57000 78.16000 -85.37000 14.31000 34.69000 84.94000 0.00000 0.00000 0.00000 2.48000 15.09000 0.00000 -2.29000 0.00000 -0.19000 0.00000 0.00000 64.00000 PIN3_1CKA-20_25.PDB 7.81000 -39.01000 -11.65000 -65.06000 -0.96000 76.39000 -84.47000 13.48000 33.88000 85.80000 0.00000 0.00000 0.00000 2.17000 14.93000 0.00000 -2.47000 0.00000 -0.28000 0.00000 0.00000 64.00000 PIN3_1CKA-20_26.PDB 13.36000 -38.02000 -9.08000 -64.52000 -0.08000 75.54000 -84.89000 16.05000 32.01000 85.85000 0.00000 0.00000 0.00000 2.36000 14.81000 0.00000 -2.00000 0.00000 0.14000 0.00000 0.00000 64.00000 PIN3_1CKA-20_27.PDB 9.71000 -38.10000 -10.00000 -63.79000 -0.36000 74.78000 -83.01000 12.72000 32.50000 85.01000 0.00000 0.00000 0.00000 2.36000 14.84000 0.00000 -2.22000 0.00000 -0.19000 0.00000 0.00000 64.00000 PIN3_1CKA-20_28.PDB 9.70000 -38.61000 -9.62000 -64.65000 -0.35000 76.39000 -84.28000 13.20000 32.42000 85.07000 0.00000 0.00000 0.00000 2.26000 15.03000 0.00000 -1.95000 0.00000 -0.18000 0.00000 0.00000 64.00000 PIN3_1CKA-20_29.PDB 9.52000 -38.91000 -11.89000 -65.93000 -0.72000 78.15000 -85.36000 14.43000 34.67000 85.48000 0.00000 0.00000 0.00000 2.18000 14.99000 0.00000 -2.37000 0.00000 -0.23000 0.00000 0.00000 64.00000 PIN3_1CKA-20_30.PDB 13.05000 -38.03000 -9.08000 -64.81000 -0.11000 76.05000 -84.99000 15.59000 32.04000 85.89000 0.00000 0.00000 0.00000 2.49000 14.91000 0.00000 -2.12000 0.00000 0.14000 0.00000 0.00000 64.00000