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-17_1.PDB 8.20000 -39.79000 -14.08000 -69.69000 -2.01000 84.52000 -89.80000 10.35000 37.72000 89.66000 0.00000 0.00000 0.00000 4.58000 14.94000 0.00000 -2.45000 0.00000 -0.81000 0.00000 0.00000 64.00000 PIN3_1CKB-17_2.PDB 7.72000 -41.31000 -15.15000 -70.02000 -2.17000 86.13000 -90.03000 10.77000 38.32000 90.27000 0.00000 0.00000 0.00000 4.62000 15.08000 0.00000 -2.76000 0.00000 -0.95000 0.00000 0.00000 64.00000 PIN3_1CKB-17_3.PDB 10.74000 -38.93000 -14.46000 -68.19000 -1.91000 82.92000 -87.97000 11.27000 37.41000 89.82000 0.00000 0.00000 0.00000 4.47000 14.64000 0.00000 -2.89000 0.00000 -0.80000 0.00000 0.00000 64.00000 PIN3_1CKB-17_4.PDB 8.80000 -39.78000 -14.30000 -69.64000 -1.35000 84.38000 -90.01000 11.56000 37.99000 89.68000 0.00000 0.00000 0.00000 3.79000 15.07000 0.00000 -2.74000 0.00000 -0.78000 0.00000 0.00000 64.00000 PIN3_1CKB-17_5.PDB 9.21000 -41.09000 -15.42000 -70.03000 -1.77000 86.25000 -90.09000 11.39000 37.85000 89.96000 0.00000 0.00000 0.00000 5.01000 15.04000 0.00000 -2.29000 0.00000 -0.56000 0.00000 0.00000 64.00000 PIN3_1CKB-17_6.PDB 7.69000 -39.09000 -13.53000 -68.85000 -1.93000 83.01000 -89.45000 11.05000 36.64000 88.61000 0.00000 0.00000 0.00000 4.17000 14.64000 0.00000 -2.25000 0.00000 -0.68000 0.00000 0.00000 64.00000 PIN3_1CKB-17_7.PDB 8.56000 -40.79000 -15.30000 -69.84000 -1.96000 86.29000 -90.07000 10.35000 38.22000 90.02000 0.00000 0.00000 0.00000 5.16000 15.10000 0.00000 -2.37000 0.00000 -1.15000 0.00000 0.00000 64.00000 PIN3_1CKB-17_8.PDB 10.99000 -39.33000 -13.59000 -67.37000 -1.46000 82.46000 -87.05000 10.69000 36.46000 90.02000 0.00000 0.00000 0.00000 3.89000 14.59000 0.00000 -2.84000 0.00000 -0.87000 0.00000 0.00000 64.00000 PIN3_1CKB-17_9.PDB 9.82000 -40.57000 -14.28000 -68.54000 -1.98000 83.97000 -88.23000 10.62000 37.52000 89.75000 0.00000 0.00000 0.00000 5.20000 14.79000 0.00000 -2.82000 0.00000 -0.84000 0.00000 0.00000 64.00000 PIN3_1CKB-17_10.PDB 5.10000 -39.86000 -13.91000 -69.81000 -2.37000 84.39000 -90.50000 10.67000 36.93000 88.77000 0.00000 0.00000 0.00000 4.00000 14.85000 0.00000 -2.21000 0.00000 -1.00000 0.00000 0.00000 64.00000 PIN3_1CKB-17_11.PDB 8.16000 -38.48000 -13.03000 -68.93000 -1.97000 82.83000 -89.34000 11.21000 35.99000 89.61000 0.00000 0.00000 0.00000 3.43000 14.79000 0.00000 -2.42000 0.00000 -0.75000 0.00000 0.00000 64.00000 PIN3_1CKB-17_12.PDB 7.51000 -41.26000 -15.13000 -69.88000 -2.38000 85.97000 -89.86000 11.73000 38.23000 89.91000 0.00000 0.00000 0.00000 4.10000 15.05000 0.00000 -2.78000 0.00000 -1.15000 0.00000 0.00000 64.00000 PIN3_1CKB-17_13.PDB 4.67000 -40.59000 -14.72000 -69.58000 -2.37000 84.31000 -89.67000 9.93000 37.71000 89.11000 0.00000 0.00000 0.00000 4.81000 15.04000 0.00000 -3.17000 0.00000 -1.08000 0.00000 0.00000 64.00000 PIN3_1CKB-17_14.PDB 8.06000 -40.25000 -14.13000 -69.52000 -2.24000 84.94000 -89.33000 10.80000 37.79000 90.33000 0.00000 0.00000 0.00000 3.65000 14.99000 0.00000 -2.93000 0.00000 -1.07000 0.00000 0.00000 64.00000 PIN3_1CKB-17_15.PDB 9.88000 -38.77000 -12.70000 -68.90000 -0.83000 82.78000 -89.64000 10.92000 35.91000 89.28000 0.00000 0.00000 0.00000 4.35000 14.96000 0.00000 -2.41000 0.00000 -0.13000 0.00000 0.00000 64.00000 PIN3_1CKB-17_16.PDB 9.02000 -40.41000 -14.27000 -69.38000 -1.30000 84.60000 -89.65000 10.77000 37.59000 89.94000 0.00000 0.00000 0.00000 4.36000 15.07000 0.00000 -2.47000 0.00000 -0.76000 0.00000 0.00000 64.00000 PIN3_1CKB-17_17.PDB 5.75000 -41.23000 -15.62000 -69.90000 -3.61000 86.40000 -89.39000 11.47000 37.63000 89.94000 0.00000 0.00000 0.00000 3.74000 15.31000 0.00000 -2.40000 0.00000 -1.28000 0.00000 0.00000 64.00000 PIN3_1CKB-17_18.PDB 6.80000 -40.64000 -14.53000 -69.71000 -1.63000 84.38000 -89.94000 10.23000 37.88000 90.02000 0.00000 0.00000 0.00000 3.72000 15.03000 0.00000 -2.45000 0.00000 -0.53000 0.00000 0.00000 64.00000 PIN3_1CKB-17_19.PDB 5.29000 -40.65000 -12.79000 -69.25000 -2.57000 83.73000 -89.11000 10.03000 36.72000 89.52000 0.00000 0.00000 0.00000 3.99000 15.04000 0.00000 -3.08000 0.00000 -1.25000 0.00000 0.00000 64.00000 PIN3_1CKB-17_20.PDB 7.07000 -40.30000 -14.15000 -68.76000 -1.84000 83.09000 -88.67000 9.25000 37.16000 89.94000 0.00000 0.00000 0.00000 4.52000 14.99000 0.00000 -2.33000 0.00000 -0.83000 0.00000 0.00000 64.00000 PIN3_1CKB-17_21.PDB 8.65000 -38.37000 -12.25000 -68.60000 -1.40000 82.41000 -89.10000 10.65000 35.39000 89.18000 0.00000 0.00000 0.00000 4.19000 14.89000 0.00000 -2.88000 0.00000 -0.57000 0.00000 0.00000 64.00000 PIN3_1CKB-17_22.PDB 10.20000 -38.36000 -12.28000 -66.96000 -0.91000 80.98000 -86.98000 10.16000 34.49000 89.41000 0.00000 0.00000 0.00000 3.53000 14.63000 0.00000 -2.63000 0.00000 -0.27000 0.00000 0.00000 64.00000 PIN3_1CKB-17_23.PDB 6.96000 -40.23000 -14.01000 -68.55000 -1.86000 83.33000 -88.72000 10.26000 37.27000 89.27000 0.00000 0.00000 0.00000 3.91000 14.90000 0.00000 -2.58000 0.00000 -1.13000 0.00000 0.00000 64.00000 PIN3_1CKB-17_24.PDB 9.04000 -40.94000 -14.67000 -70.01000 -1.74000 85.78000 -90.16000 12.21000 38.16000 90.46000 0.00000 0.00000 0.00000 3.60000 15.03000 0.00000 -2.65000 0.00000 -0.99000 0.00000 0.00000 64.00000 PIN3_1CKB-17_25.PDB 5.89000 -40.31000 -14.77000 -69.97000 -4.20000 86.03000 -89.35000 10.64000 37.67000 90.23000 0.00000 0.00000 0.00000 3.84000 15.28000 0.00000 -2.24000 0.00000 -1.68000 0.00000 0.00000 64.00000 PIN3_1CKB-17_26.PDB 7.30000 -40.73000 -15.74000 -69.85000 -4.22000 87.14000 -89.00000 11.37000 37.85000 90.58000 0.00000 0.00000 0.00000 3.76000 15.30000 0.00000 -2.23000 0.00000 -1.63000 0.00000 0.00000 64.00000 PIN3_1CKB-17_27.PDB 9.85000 -41.14000 -15.64000 -70.38000 -1.16000 86.48000 -90.85000 12.82000 38.26000 90.19000 0.00000 0.00000 0.00000 4.25000 15.21000 0.00000 -2.41000 0.00000 -0.58000 0.00000 0.00000 64.00000 PIN3_1CKB-17_28.PDB 7.42000 -39.74000 -13.64000 -69.30000 -1.44000 83.98000 -90.03000 10.64000 37.16000 89.25000 0.00000 0.00000 0.00000 3.82000 14.83000 0.00000 -2.49000 0.00000 -0.78000 0.00000 0.00000 64.00000 PIN3_1CKB-17_29.PDB 7.61000 -38.93000 -13.44000 -69.23000 -1.76000 83.47000 -89.75000 10.68000 36.58000 88.60000 0.00000 0.00000 0.00000 4.60000 14.77000 0.00000 -2.74000 0.00000 -0.48000 0.00000 0.00000 64.00000 PIN3_1CKB-17_30.PDB 6.01000 -39.43000 -13.10000 -68.63000 -1.88000 83.14000 -89.08000 10.26000 36.14000 88.28000 0.00000 0.00000 0.00000 3.74000 14.86000 0.00000 -2.45000 0.00000 -0.97000 0.00000 0.00000 64.00000