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_1CKB-19_1.PDB 13.39000 -36.93000 -9.80000 -65.74000 -0.93000 78.90000 -85.38000 9.36000 33.09000 89.84000 0.00000 0.00000 0.00000 3.51000 14.77000 0.00000 -2.06000 0.00000 -0.47000 0.00000 0.00000 64.00000 PIN3_1CKB-19_2.PDB 12.33000 -37.70000 -10.26000 -67.92000 -1.08000 80.88000 -88.07000 9.54000 35.05000 90.51000 0.00000 0.00000 0.00000 3.77000 15.10000 0.00000 -2.03000 0.00000 -0.38000 0.00000 0.00000 64.00000 PIN3_1CKB-19_3.PDB 12.53000 -37.34000 -10.01000 -65.94000 -0.91000 78.81000 -86.07000 9.72000 33.57000 89.73000 0.00000 0.00000 0.00000 3.55000 14.76000 0.00000 -2.25000 0.00000 -0.33000 0.00000 0.00000 64.00000 PIN3_1CKB-19_4.PDB 12.77000 -37.56000 -10.51000 -66.38000 -0.94000 78.96000 -86.85000 10.07000 33.95000 91.19000 0.00000 0.00000 0.00000 3.43000 14.90000 0.00000 -2.37000 0.00000 -0.22000 0.00000 0.00000 64.00000 PIN3_1CKB-19_5.PDB 13.86000 -37.30000 -10.25000 -66.82000 -1.18000 80.02000 -86.34000 9.65000 34.83000 90.49000 0.00000 0.00000 0.00000 3.58000 14.73000 0.00000 -2.04000 0.00000 -0.76000 0.00000 0.00000 64.00000 PIN3_1CKB-19_6.PDB 12.99000 -38.38000 -12.43000 -66.74000 -1.24000 81.18000 -85.55000 9.47000 36.04000 90.23000 0.00000 0.00000 0.00000 3.66000 14.66000 0.00000 -2.26000 0.00000 -1.01000 0.00000 0.00000 64.00000 PIN3_1CKB-19_7.PDB 13.01000 -37.86000 -10.45000 -66.26000 -1.04000 79.29000 -85.72000 9.63000 34.02000 90.63000 0.00000 0.00000 0.00000 3.45000 14.89000 0.00000 -2.12000 0.00000 -0.57000 0.00000 0.00000 64.00000 PIN3_1CKB-19_8.PDB 14.28000 -36.94000 -9.80000 -66.98000 -1.05000 79.34000 -86.95000 9.72000 34.52000 90.89000 0.00000 0.00000 0.00000 4.06000 14.87000 0.00000 -2.13000 0.00000 -0.39000 0.00000 0.00000 64.00000 PIN3_1CKB-19_9.PDB 13.22000 -36.92000 -11.06000 -65.20000 -1.25000 78.79000 -84.67000 9.26000 34.15000 90.24000 0.00000 0.00000 0.00000 3.29000 14.57000 0.00000 -2.47000 0.00000 -0.95000 0.00000 0.00000 64.00000 PIN3_1CKB-19_10.PDB 13.59000 -36.27000 -8.97000 -66.99000 -1.05000 79.56000 -86.60000 9.53000 33.74000 89.48000 0.00000 0.00000 0.00000 3.81000 14.91000 0.00000 -2.09000 0.00000 -0.57000 0.00000 0.00000 64.00000 PIN3_1CKB-19_11.PDB 13.70000 -37.37000 -10.27000 -65.72000 -0.75000 77.87000 -85.81000 9.67000 34.06000 90.95000 0.00000 0.00000 0.00000 3.45000 14.64000 0.00000 -2.10000 0.00000 -0.30000 0.00000 0.00000 64.00000 PIN3_1CKB-19_12.PDB 10.87000 -38.50000 -17.92000 -67.49000 -1.69000 85.77000 -87.07000 9.62000 37.06000 91.17000 0.00000 0.00000 0.00000 3.34000 15.17000 0.00000 -2.38000 0.00000 -1.07000 0.00000 0.00000 64.00000 PIN3_1CKB-19_13.PDB 12.94000 -37.06000 -12.88000 -67.11000 -1.01000 79.80000 -87.47000 9.83000 36.37000 91.63000 0.00000 0.00000 0.00000 3.42000 14.96000 0.00000 -2.21000 0.00000 -0.37000 0.00000 0.00000 64.00000 PIN3_1CKB-19_14.PDB 13.67000 -37.34000 -11.95000 -67.34000 -1.11000 80.62000 -87.45000 10.52000 35.89000 91.08000 0.00000 0.00000 0.00000 3.82000 15.00000 0.00000 -2.49000 0.00000 -0.58000 0.00000 0.00000 64.00000 PIN3_1CKB-19_15.PDB 12.74000 -36.54000 -12.46000 -66.18000 -1.12000 80.31000 -85.54000 9.51000 34.76000 89.30000 0.00000 0.00000 0.00000 3.46000 14.69000 0.00000 -2.08000 0.00000 -0.69000 0.00000 0.00000 64.00000 PIN3_1CKB-19_16.PDB 13.10000 -36.98000 -9.95000 -66.53000 -1.10000 79.79000 -86.41000 9.65000 33.71000 89.69000 0.00000 0.00000 0.00000 3.76000 14.80000 0.00000 -2.11000 0.00000 -0.41000 0.00000 0.00000 64.00000 PIN3_1CKB-19_17.PDB 12.10000 -38.65000 -11.11000 -66.80000 -1.23000 81.01000 -86.15000 9.49000 35.08000 90.58000 0.00000 0.00000 0.00000 2.99000 14.85000 0.00000 -2.32000 0.00000 -0.80000 0.00000 0.00000 64.00000 PIN3_1CKB-19_18.PDB 12.74000 -37.07000 -9.59000 -65.62000 -1.13000 78.76000 -84.96000 9.33000 33.39000 89.48000 0.00000 0.00000 0.00000 3.23000 14.67000 0.00000 -2.34000 0.00000 -0.73000 0.00000 0.00000 64.00000 PIN3_1CKB-19_19.PDB 14.35000 -38.69000 -11.35000 -67.13000 -1.59000 81.89000 -85.59000 9.76000 36.10000 90.43000 0.00000 0.00000 0.00000 3.95000 14.72000 0.00000 -2.11000 0.00000 -1.32000 0.00000 0.00000 64.00000 PIN3_1CKB-19_20.PDB 12.55000 -38.43000 -13.55000 -67.55000 -1.64000 82.35000 -86.70000 9.87000 36.84000 91.87000 0.00000 0.00000 0.00000 3.29000 15.28000 0.00000 -2.56000 0.00000 -1.24000 0.00000 0.00000 64.00000 PIN3_1CKB-19_21.PDB 13.13000 -36.93000 -9.59000 -65.29000 -0.78000 77.75000 -85.59000 9.64000 33.38000 89.50000 0.00000 0.00000 0.00000 3.46000 14.54000 0.00000 -2.09000 0.00000 -0.33000 0.00000 0.00000 64.00000 PIN3_1CKB-19_22.PDB 13.43000 -37.93000 -10.49000 -66.82000 -0.69000 78.82000 -87.62000 10.34000 34.91000 91.01000 0.00000 0.00000 0.00000 4.16000 15.00000 0.00000 -2.10000 0.00000 -0.15000 0.00000 0.00000 64.00000 PIN3_1CKB-19_23.PDB 13.12000 -36.73000 -9.70000 -64.83000 -0.91000 77.93000 -84.74000 9.46000 32.42000 89.71000 0.00000 0.00000 0.00000 3.09000 14.44000 0.00000 -2.21000 0.00000 -0.38000 0.00000 0.00000 64.00000 PIN3_1CKB-19_24.PDB 12.88000 -37.28000 -9.82000 -66.72000 -0.96000 79.98000 -87.22000 9.66000 33.82000 89.72000 0.00000 0.00000 0.00000 3.84000 14.93000 0.00000 -1.95000 0.00000 -0.19000 0.00000 0.00000 64.00000 PIN3_1CKB-19_25.PDB 13.90000 -37.36000 -10.00000 -65.77000 -1.03000 78.94000 -85.45000 9.47000 33.64000 90.56000 0.00000 0.00000 0.00000 3.62000 14.73000 0.00000 -2.13000 0.00000 -0.59000 0.00000 0.00000 64.00000 PIN3_1CKB-19_26.PDB 11.28000 -40.47000 -18.39000 -68.31000 -2.29000 87.99000 -87.05000 9.98000 39.09000 90.67000 0.00000 0.00000 0.00000 3.84000 15.04000 0.00000 -2.17000 0.00000 -1.61000 0.00000 0.00000 64.00000 PIN3_1CKB-19_27.PDB 12.69000 -37.96000 -10.51000 -65.90000 -0.76000 78.57000 -85.29000 9.40000 34.29000 90.40000 0.00000 0.00000 0.00000 3.41000 14.81000 0.00000 -2.19000 0.00000 -0.77000 0.00000 0.00000 64.00000 PIN3_1CKB-19_28.PDB 12.46000 -36.96000 -9.83000 -66.86000 -1.09000 79.93000 -86.57000 9.50000 33.83000 90.10000 0.00000 0.00000 0.00000 3.21000 14.86000 0.00000 -2.17000 0.00000 -0.63000 0.00000 0.00000 64.00000 PIN3_1CKB-19_29.PDB 12.29000 -37.35000 -9.92000 -66.46000 -1.10000 79.53000 -86.49000 9.80000 34.00000 89.66000 0.00000 0.00000 0.00000 3.18000 14.90000 0.00000 -2.13000 0.00000 -0.43000 0.00000 0.00000 64.00000 PIN3_1CKB-19_30.PDB 11.63000 -38.98000 -11.31000 -68.01000 -1.52000 81.62000 -87.70000 9.74000 36.60000 91.11000 0.00000 0.00000 0.00000 3.36000 14.95000 0.00000 -2.38000 0.00000 -0.92000 0.00000 0.00000 64.00000