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-17_1.PDB 9.55000 -36.97000 -13.05000 -64.89000 -0.58000 76.63000 -84.91000 14.30000 33.37000 85.75000 0.00000 0.00000 0.00000 2.82000 15.31000 0.00000 -2.72000 0.00000 -0.19000 0.00000 0.00000 64.00000 PIN3_1CKA-17_2.PDB 11.07000 -36.90000 -9.46000 -65.77000 -0.38000 77.08000 -86.22000 14.29000 31.85000 85.81000 0.00000 0.00000 0.00000 3.04000 15.54000 0.00000 -2.20000 0.00000 -0.07000 0.00000 0.00000 64.00000 PIN3_1CKA-17_3.PDB 8.88000 -37.87000 -11.75000 -65.82000 -0.61000 77.53000 -85.99000 14.37000 32.97000 85.98000 0.00000 0.00000 0.00000 2.84000 15.51000 0.00000 -2.57000 0.00000 -0.19000 0.00000 0.00000 64.00000 PIN3_1CKA-17_4.PDB 8.88000 -37.01000 -9.50000 -65.06000 -0.51000 75.98000 -85.46000 14.35000 30.94000 84.78000 0.00000 0.00000 0.00000 2.68000 15.41000 0.00000 -2.21000 0.00000 -0.09000 0.00000 0.00000 64.00000 PIN3_1CKA-17_5.PDB 8.45000 -37.99000 -12.87000 -64.29000 -0.56000 75.91000 -84.24000 14.03000 33.15000 85.27000 0.00000 0.00000 0.00000 2.82000 15.30000 0.00000 -2.52000 0.00000 -0.26000 0.00000 0.00000 64.00000 PIN3_1CKA-17_6.PDB 10.36000 -38.10000 -12.42000 -65.39000 -0.55000 78.32000 -85.43000 14.34000 33.07000 86.62000 0.00000 0.00000 0.00000 2.66000 15.73000 0.00000 -2.59000 0.00000 -0.17000 0.00000 0.00000 64.00000 PIN3_1CKA-17_7.PDB 7.78000 -37.52000 -11.88000 -64.77000 -0.60000 75.83000 -85.30000 14.07000 32.28000 85.34000 0.00000 0.00000 0.00000 3.43000 15.28000 0.00000 -2.98000 0.00000 -0.12000 0.00000 0.00000 64.00000 PIN3_1CKA-17_8.PDB 8.02000 -36.95000 -14.59000 -65.23000 -0.65000 77.30000 -85.33000 14.31000 34.12000 85.77000 0.00000 0.00000 0.00000 2.51000 15.41000 0.00000 -2.95000 0.00000 -0.30000 0.00000 0.00000 64.00000 PIN3_1CKA-17_9.PDB 10.11000 -38.52000 -12.63000 -66.32000 -0.61000 79.34000 -86.34000 14.50000 33.90000 86.43000 0.00000 0.00000 0.00000 2.85000 15.69000 0.00000 -2.27000 0.00000 -0.21000 0.00000 0.00000 64.00000 PIN3_1CKA-17_10.PDB 6.78000 -38.43000 -12.48000 -66.03000 -0.59000 77.91000 -86.78000 14.07000 33.64000 85.82000 0.00000 0.00000 0.00000 2.72000 15.72000 0.00000 -2.96000 0.00000 -0.13000 0.00000 0.00000 64.00000 PIN3_1CKA-17_11.PDB 9.84000 -37.55000 -11.58000 -64.48000 -0.59000 76.52000 -84.17000 13.87000 31.99000 86.09000 0.00000 0.00000 0.00000 2.72000 15.27000 0.00000 -2.81000 0.00000 -0.15000 0.00000 0.00000 64.00000 PIN3_1CKA-17_12.PDB 6.64000 -37.48000 -11.78000 -65.49000 -0.63000 76.55000 -86.17000 14.19000 32.49000 85.36000 0.00000 0.00000 0.00000 2.57000 15.46000 0.00000 -2.82000 0.00000 -0.14000 0.00000 0.00000 64.00000 PIN3_1CKA-17_13.PDB 9.91000 -37.74000 -11.94000 -65.19000 -0.58000 77.25000 -85.24000 15.26000 32.74000 85.27000 0.00000 0.00000 0.00000 2.48000 15.38000 0.00000 -2.23000 0.00000 -0.18000 0.00000 0.00000 64.00000 PIN3_1CKA-17_14.PDB 9.68000 -37.42000 -14.02000 -65.32000 -1.10000 77.70000 -85.17000 14.30000 34.36000 86.14000 0.00000 0.00000 0.00000 2.99000 15.46000 0.00000 -2.53000 0.00000 -0.25000 0.00000 0.00000 64.00000 PIN3_1CKA-17_15.PDB 11.47000 -37.85000 -6.71000 -65.08000 -0.46000 76.30000 -85.24000 15.16000 29.80000 84.95000 0.00000 0.00000 0.00000 2.87000 15.35000 0.00000 -2.24000 0.00000 -0.04000 0.00000 0.00000 64.00000 PIN3_1CKA-17_16.PDB 9.82000 -38.58000 -9.49000 -65.39000 -0.36000 78.09000 -85.47000 13.85000 30.90000 85.31000 0.00000 0.00000 0.00000 3.18000 15.64000 0.00000 -2.19000 0.00000 -0.03000 0.00000 0.00000 64.00000 PIN3_1CKA-17_17.PDB 9.52000 -39.03000 -13.02000 -66.88000 -0.59000 79.63000 -87.14000 14.81000 34.41000 85.67000 0.00000 0.00000 0.00000 3.88000 15.81000 0.00000 -2.01000 0.00000 -0.20000 0.00000 0.00000 64.00000 PIN3_1CKA-17_18.PDB 9.29000 -36.95000 -13.11000 -66.39000 -1.07000 78.60000 -86.35000 14.54000 33.96000 86.15000 0.00000 0.00000 0.00000 2.63000 15.56000 0.00000 -2.54000 0.00000 -0.19000 0.00000 0.00000 64.00000 PIN3_1CKA-17_19.PDB 7.25000 -37.41000 -6.66000 -64.83000 -0.42000 74.86000 -85.87000 14.00000 29.27000 83.96000 0.00000 0.00000 0.00000 2.68000 15.31000 0.00000 -2.36000 0.00000 0.03000 0.00000 0.00000 64.00000 PIN3_1CKA-17_20.PDB 7.51000 -37.39000 -11.70000 -64.97000 -0.61000 76.08000 -85.61000 14.34000 32.38000 85.21000 0.00000 0.00000 0.00000 2.68000 15.39000 0.00000 -2.77000 0.00000 -0.14000 0.00000 0.00000 64.00000 PIN3_1CKA-17_21.PDB 8.41000 -38.03000 -9.75000 -65.12000 -0.43000 75.99000 -84.96000 14.44000 31.70000 84.55000 0.00000 0.00000 0.00000 2.54000 15.50000 0.00000 -2.43000 0.00000 -0.09000 0.00000 0.00000 64.00000 PIN3_1CKA-17_22.PDB 9.58000 -38.09000 -12.16000 -66.16000 -0.61000 78.15000 -86.33000 15.55000 33.18000 85.38000 0.00000 0.00000 0.00000 3.01000 15.47000 0.00000 -2.17000 0.00000 -0.18000 0.00000 0.00000 64.00000 PIN3_1CKA-17_23.PDB 8.70000 -38.42000 -11.09000 -65.89000 -1.06000 77.89000 -85.86000 14.20000 33.15000 85.50000 0.00000 0.00000 0.00000 2.95000 15.48000 0.00000 -2.49000 0.00000 -0.17000 0.00000 0.00000 64.00000 PIN3_1CKA-17_24.PDB 9.48000 -37.44000 -6.40000 -65.40000 -2.23000 76.71000 -86.27000 15.49000 29.58000 85.67000 0.00000 0.00000 0.00000 2.49000 15.42000 0.00000 -2.21000 0.00000 -0.51000 0.00000 0.00000 64.00000 PIN3_1CKA-17_25.PDB 8.27000 -37.73000 -13.81000 -66.18000 -0.65000 79.17000 -86.72000 14.47000 33.59000 85.77000 0.00000 0.00000 0.00000 2.67000 15.74000 0.00000 -2.15000 0.00000 -0.15000 0.00000 0.00000 64.00000 PIN3_1CKA-17_26.PDB 9.79000 -38.50000 -12.54000 -65.84000 -0.15000 78.79000 -86.31000 14.27000 33.13000 86.54000 0.00000 0.00000 0.00000 2.83000 15.64000 0.00000 -2.48000 0.00000 0.06000 0.00000 0.00000 64.00000 PIN3_1CKA-17_27.PDB 10.41000 -38.75000 -7.29000 -64.53000 -0.46000 76.63000 -84.30000 14.11000 29.84000 84.76000 0.00000 0.00000 0.00000 3.10000 15.45000 0.00000 -2.64000 0.00000 -0.08000 0.00000 0.00000 64.00000 PIN3_1CKA-17_28.PDB 8.75000 -37.58000 -13.65000 -64.80000 -0.62000 76.65000 -84.76000 14.66000 32.89000 86.35000 0.00000 0.00000 0.00000 2.44000 15.37000 0.00000 -2.57000 0.00000 -0.25000 0.00000 0.00000 64.00000 PIN3_1CKA-17_29.PDB 8.31000 -36.95000 -14.48000 -65.74000 -0.66000 77.60000 -86.05000 15.18000 34.27000 85.35000 0.00000 0.00000 0.00000 2.52000 15.41000 0.00000 -2.47000 0.00000 -0.26000 0.00000 0.00000 64.00000 PIN3_1CKA-17_30.PDB 8.94000 -37.99000 -11.91000 -65.36000 -0.54000 77.20000 -85.52000 14.96000 33.06000 85.09000 0.00000 0.00000 0.00000 2.66000 15.37000 0.00000 -2.52000 0.00000 -0.19000 0.00000 0.00000 64.00000