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-15_1.PDB 9.59000 -36.79000 -7.89000 -64.69000 -0.53000 74.87000 -85.39000 13.18000 32.03000 85.24000 0.00000 0.00000 0.00000 1.86000 17.19000 0.00000 -1.78000 0.00000 -0.51000 0.00000 0.00000 64.00000 PIN3_1CKA-15_2.PDB 9.56000 -36.97000 -9.70000 -65.25000 -0.51000 75.49000 -86.33000 13.13000 33.44000 85.76000 0.00000 0.00000 0.00000 2.72000 17.26000 0.00000 -1.90000 0.00000 -0.31000 0.00000 0.00000 64.00000 PIN3_1CKA-15_3.PDB 9.07000 -37.04000 -9.84000 -65.73000 -0.41000 75.99000 -86.86000 13.29000 33.61000 85.56000 0.00000 0.00000 0.00000 2.71000 17.36000 0.00000 -1.93000 0.00000 -0.28000 0.00000 0.00000 64.00000 PIN3_1CKA-15_4.PDB 8.79000 -36.73000 -9.64000 -64.40000 -0.32000 75.03000 -84.88000 12.33000 32.91000 85.19000 0.00000 0.00000 0.00000 1.79000 16.88000 0.00000 -1.98000 0.00000 -0.51000 0.00000 0.00000 64.00000 PIN3_1CKA-15_5.PDB 9.17000 -36.75000 -9.64000 -65.07000 -0.73000 75.33000 -85.84000 13.31000 33.47000 85.64000 0.00000 0.00000 0.00000 1.89000 17.06000 0.00000 -1.85000 0.00000 -0.58000 0.00000 0.00000 64.00000 PIN3_1CKA-15_6.PDB 9.99000 -37.08000 -6.51000 -65.49000 -0.65000 76.03000 -86.40000 13.20000 31.16000 85.24000 0.00000 0.00000 0.00000 2.42000 17.06000 0.00000 -1.57000 0.00000 -0.37000 0.00000 0.00000 64.00000 PIN3_1CKA-15_7.PDB 9.68000 -36.78000 -6.17000 -64.95000 -0.49000 75.04000 -85.86000 13.37000 30.67000 85.06000 0.00000 0.00000 0.00000 1.84000 17.23000 0.00000 -1.73000 0.00000 -0.33000 0.00000 0.00000 64.00000 PIN3_1CKA-15_8.PDB 9.39000 -36.78000 -9.59000 -65.52000 -0.44000 75.92000 -86.50000 13.28000 33.43000 85.31000 0.00000 0.00000 0.00000 2.49000 17.43000 0.00000 -1.98000 0.00000 -0.22000 0.00000 0.00000 64.00000 PIN3_1CKA-15_9.PDB 9.62000 -36.94000 -4.74000 -65.35000 -0.61000 75.13000 -86.58000 13.14000 29.77000 85.12000 0.00000 0.00000 0.00000 2.72000 17.55000 0.00000 -1.74000 0.00000 -0.30000 0.00000 0.00000 64.00000 PIN3_1CKA-15_10.PDB 9.87000 -36.92000 -6.46000 -64.13000 -0.36000 74.42000 -84.65000 13.02000 30.04000 85.43000 0.00000 0.00000 0.00000 1.72000 16.99000 0.00000 -1.78000 0.00000 -0.44000 0.00000 0.00000 64.00000 PIN3_1CKA-15_11.PDB 10.22000 -36.82000 -7.38000 -63.97000 -0.51000 74.31000 -84.19000 13.01000 31.14000 84.96000 0.00000 0.00000 0.00000 1.74000 17.11000 0.00000 -1.78000 0.00000 -0.29000 0.00000 0.00000 64.00000 PIN3_1CKA-15_12.PDB 9.76000 -36.78000 -7.92000 -65.59000 -0.45000 75.95000 -86.40000 13.46000 32.38000 85.52000 0.00000 0.00000 0.00000 1.81000 17.09000 0.00000 -1.93000 0.00000 -0.29000 0.00000 0.00000 64.00000 PIN3_1CKA-15_13.PDB 9.05000 -36.75000 -4.54000 -65.00000 -0.24000 74.58000 -86.23000 12.77000 29.43000 85.12000 0.00000 0.00000 0.00000 1.86000 17.23000 0.00000 -1.83000 0.00000 -0.13000 0.00000 0.00000 64.00000 PIN3_1CKA-15_14.PDB 8.84000 -37.11000 -6.43000 -65.85000 -0.33000 75.44000 -87.43000 13.92000 31.11000 85.35000 0.00000 0.00000 0.00000 1.76000 17.14000 0.00000 -1.53000 0.00000 -0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-15_15.PDB 9.66000 -36.83000 -6.12000 -64.59000 -0.40000 74.46000 -85.42000 13.33000 30.32000 85.12000 0.00000 0.00000 0.00000 1.71000 17.27000 0.00000 -1.86000 0.00000 -0.06000 0.00000 0.00000 64.00000 PIN3_1CKA-15_16.PDB 8.88000 -37.61000 -11.24000 -65.11000 -0.43000 76.12000 -85.37000 13.03000 34.55000 85.48000 0.00000 0.00000 0.00000 1.88000 17.11000 0.00000 -1.78000 0.00000 -0.63000 0.00000 0.00000 64.00000 PIN3_1CKA-15_17.PDB 10.38000 -37.35000 -6.70000 -64.37000 -0.61000 75.33000 -84.64000 13.11000 30.86000 85.50000 0.00000 0.00000 0.00000 1.77000 17.24000 0.00000 -2.07000 0.00000 -0.45000 0.00000 0.00000 64.00000 PIN3_1CKA-15_18.PDB 9.80000 -36.78000 -7.00000 -65.46000 -0.72000 75.58000 -86.51000 13.17000 32.00000 85.27000 0.00000 0.00000 0.00000 2.61000 17.19000 0.00000 -1.77000 0.00000 -0.58000 0.00000 0.00000 64.00000 PIN3_1CKA-15_19.PDB 9.76000 -37.60000 -8.60000 -65.78000 -0.51000 75.73000 -86.99000 15.24000 32.57000 86.03000 0.00000 0.00000 0.00000 1.87000 17.31000 0.00000 -1.95000 0.00000 -0.26000 0.00000 0.00000 64.00000 PIN3_1CKA-15_20.PDB 10.29000 -37.28000 -7.89000 -64.44000 -0.35000 75.18000 -84.82000 13.18000 31.74000 85.40000 0.00000 0.00000 0.00000 1.78000 17.43000 0.00000 -1.97000 0.00000 -0.26000 0.00000 0.00000 64.00000 PIN3_1CKA-15_21.PDB 9.71000 -36.78000 -9.65000 -65.80000 -0.32000 75.66000 -87.21000 13.65000 33.52000 85.53000 0.00000 0.00000 0.00000 2.92000 17.50000 0.00000 -1.74000 0.00000 -0.08000 0.00000 0.00000 64.00000 PIN3_1CKA-15_22.PDB 9.06000 -36.92000 -9.89000 -65.57000 -0.27000 75.38000 -86.78000 13.32000 33.24000 85.46000 0.00000 0.00000 0.00000 2.87000 17.44000 0.00000 -1.72000 0.00000 -0.06000 0.00000 0.00000 64.00000 PIN3_1CKA-15_23.PDB 9.66000 -36.77000 -9.36000 -65.33000 -0.32000 75.82000 -85.79000 13.12000 33.10000 85.49000 0.00000 0.00000 0.00000 1.77000 17.42000 0.00000 -1.95000 0.00000 -0.11000 0.00000 0.00000 64.00000 PIN3_1CKA-15_24.PDB 9.34000 -36.83000 -7.85000 -65.99000 -0.79000 76.63000 -86.73000 13.09000 32.93000 85.65000 0.00000 0.00000 0.00000 1.62000 17.79000 0.00000 -1.86000 0.00000 -0.53000 0.00000 0.00000 64.00000 PIN3_1CKA-15_25.PDB 10.34000 -37.34000 -6.61000 -64.73000 -0.48000 75.49000 -85.02000 13.34000 30.84000 85.44000 0.00000 0.00000 0.00000 1.80000 17.46000 0.00000 -2.07000 0.00000 -0.31000 0.00000 0.00000 64.00000 PIN3_1CKA-15_26.PDB 9.46000 -37.59000 -8.72000 -64.19000 -0.46000 75.52000 -84.46000 12.61000 31.60000 85.48000 0.00000 0.00000 0.00000 1.81000 17.12000 0.00000 -1.73000 0.00000 -0.41000 0.00000 0.00000 64.00000 PIN3_1CKA-15_27.PDB 9.62000 -37.23000 -8.35000 -64.64000 -0.13000 75.55000 -85.20000 12.96000 31.70000 85.34000 0.00000 0.00000 0.00000 1.70000 17.33000 0.00000 -1.97000 0.00000 -0.12000 0.00000 0.00000 64.00000 PIN3_1CKA-15_28.PDB 9.47000 -36.95000 -8.99000 -65.42000 -0.26000 75.58000 -86.61000 13.00000 32.63000 85.55000 0.00000 0.00000 0.00000 2.77000 17.50000 0.00000 -1.80000 0.00000 -0.03000 0.00000 0.00000 64.00000 PIN3_1CKA-15_29.PDB 9.59000 -36.78000 -6.19000 -65.96000 -0.32000 75.94000 -87.22000 12.78000 31.23000 85.32000 0.00000 0.00000 0.00000 2.69000 17.57000 0.00000 -1.86000 0.00000 -0.05000 0.00000 0.00000 64.00000 PIN3_1CKA-15_30.PDB 11.24000 -36.72000 -6.29000 -63.42000 -0.36000 73.65000 -83.53000 13.32000 29.75000 85.04000 0.00000 0.00000 0.00000 1.70000 17.24000 0.00000 -1.77000 0.00000 -0.13000 0.00000 0.00000 64.00000