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-20_1.PDB 7.22000 -39.79000 -13.84000 -67.19000 -2.22000 82.72000 -86.40000 9.42000 36.08000 88.28000 0.00000 0.00000 0.00000 3.54000 14.45000 0.00000 -2.10000 0.00000 -1.29000 0.00000 0.00000 64.00000 PIN3_1CKB-20_2.PDB 11.39000 -39.91000 -15.51000 -67.70000 -2.10000 84.29000 -87.10000 12.49000 37.32000 89.93000 0.00000 0.00000 0.00000 3.50000 14.37000 0.00000 -2.48000 0.00000 -1.35000 0.00000 0.00000 64.00000 PIN3_1CKB-20_3.PDB 10.86000 -39.06000 -13.68000 -67.92000 -2.18000 82.97000 -87.70000 15.35000 36.34000 87.51000 0.00000 0.00000 0.00000 2.92000 14.46000 0.00000 -2.42000 0.00000 -1.25000 0.00000 0.00000 64.00000 PIN3_1CKB-20_4.PDB 11.20000 -38.81000 -11.40000 -67.26000 -2.00000 81.97000 -86.95000 10.87000 35.69000 88.95000 0.00000 0.00000 0.00000 3.72000 14.36000 0.00000 -2.36000 0.00000 -1.21000 0.00000 0.00000 64.00000 PIN3_1CKB-20_5.PDB 12.87000 -37.11000 -12.70000 -65.62000 -1.23000 79.63000 -85.30000 11.74000 35.32000 87.94000 0.00000 0.00000 0.00000 3.41000 13.96000 0.00000 -2.25000 0.00000 -0.96000 0.00000 0.00000 64.00000 PIN3_1CKB-20_6.PDB 10.88000 -39.97000 -12.65000 -68.35000 -2.12000 83.40000 -88.31000 12.53000 36.93000 89.69000 0.00000 0.00000 0.00000 3.16000 14.55000 0.00000 -2.11000 0.00000 -1.33000 0.00000 0.00000 64.00000 PIN3_1CKB-20_7.PDB 16.51000 -38.88000 -13.56000 -67.56000 -1.84000 82.71000 -87.02000 14.29000 37.15000 89.36000 0.00000 0.00000 0.00000 5.35000 14.56000 0.00000 -2.26000 0.00000 -1.22000 0.00000 0.00000 64.00000 PIN3_1CKB-20_8.PDB 11.17000 -39.44000 -16.00000 -67.23000 -1.96000 84.03000 -86.19000 10.51000 36.98000 90.47000 0.00000 0.00000 0.00000 3.73000 14.41000 0.00000 -2.28000 0.00000 -1.46000 0.00000 0.00000 64.00000 PIN3_1CKB-20_9.PDB 15.22000 -38.87000 -10.94000 -67.86000 -1.71000 82.13000 -87.94000 13.01000 35.98000 88.90000 0.00000 0.00000 0.00000 5.69000 14.69000 0.00000 -2.22000 0.00000 -0.95000 0.00000 0.00000 64.00000 PIN3_1CKB-20_10.PDB 12.44000 -38.79000 -12.63000 -67.61000 -1.44000 82.28000 -87.18000 11.05000 36.50000 89.66000 0.00000 0.00000 0.00000 4.15000 14.44000 0.00000 -2.36000 0.00000 -1.20000 0.00000 0.00000 64.00000 PIN3_1CKB-20_11.PDB 7.97000 -38.71000 -13.38000 -67.39000 -2.44000 82.84000 -86.82000 10.67000 36.27000 87.28000 0.00000 0.00000 0.00000 3.43000 14.46000 0.00000 -2.49000 0.00000 -1.27000 0.00000 0.00000 64.00000 PIN3_1CKB-20_12.PDB 6.28000 -40.06000 -12.04000 -66.82000 -2.26000 81.07000 -86.20000 10.05000 35.45000 87.83000 0.00000 0.00000 0.00000 3.37000 14.45000 0.00000 -2.83000 0.00000 -1.30000 0.00000 0.00000 64.00000 PIN3_1CKB-20_13.PDB 11.29000 -39.82000 -12.42000 -66.99000 -1.85000 81.97000 -86.10000 10.07000 36.36000 89.61000 0.00000 0.00000 0.00000 4.24000 14.41000 0.00000 -2.70000 0.00000 -1.10000 0.00000 0.00000 64.00000 PIN3_1CKB-20_14.PDB 11.29000 -40.35000 -14.10000 -67.94000 -1.47000 83.72000 -86.90000 9.97000 38.12000 89.67000 0.00000 0.00000 0.00000 4.00000 14.38000 0.00000 -2.17000 0.00000 -1.27000 0.00000 0.00000 64.00000 PIN3_1CKB-20_15.PDB 11.96000 -40.07000 -13.72000 -67.92000 -1.91000 83.93000 -87.03000 10.19000 37.27000 90.07000 0.00000 0.00000 0.00000 4.68000 14.45000 0.00000 -2.26000 0.00000 -1.27000 0.00000 0.00000 64.00000 PIN3_1CKB-20_16.PDB 7.03000 -40.12000 -14.60000 -67.70000 -2.55000 83.07000 -86.90000 10.71000 36.63000 88.72000 0.00000 0.00000 0.00000 3.64000 14.59000 0.00000 -2.27000 0.00000 -1.59000 0.00000 0.00000 64.00000 PIN3_1CKB-20_17.PDB 7.25000 -39.03000 -13.87000 -67.78000 -2.22000 82.72000 -87.53000 11.66000 36.71000 87.52000 0.00000 0.00000 0.00000 2.80000 14.73000 0.00000 -2.58000 0.00000 -1.17000 0.00000 0.00000 64.00000 PIN3_1CKB-20_18.PDB 8.74000 -38.43000 -14.81000 -67.66000 -2.34000 83.29000 -87.18000 11.27000 36.85000 88.46000 0.00000 0.00000 0.00000 3.16000 14.44000 0.00000 -2.50000 0.00000 -1.38000 0.00000 0.00000 64.00000 PIN3_1CKB-20_19.PDB 9.61000 -40.46000 -14.27000 -68.07000 -1.90000 83.85000 -87.13000 11.16000 37.33000 89.63000 0.00000 0.00000 0.00000 3.73000 14.59000 0.00000 -3.10000 0.00000 -1.15000 0.00000 0.00000 64.00000 PIN3_1CKB-20_20.PDB 14.58000 -39.85000 -13.88000 -67.97000 -2.23000 84.74000 -87.33000 14.04000 36.45000 90.08000 0.00000 0.00000 0.00000 4.14000 14.49000 0.00000 -2.25000 0.00000 -1.35000 0.00000 0.00000 64.00000 PIN3_1CKB-20_21.PDB 8.67000 -39.09000 -13.67000 -67.43000 -2.25000 83.07000 -86.79000 10.88000 36.31000 88.39000 0.00000 0.00000 0.00000 3.09000 14.39000 0.00000 -2.58000 0.00000 -1.26000 0.00000 0.00000 64.00000 PIN3_1CKB-20_22.PDB 8.15000 -38.82000 -14.24000 -67.29000 -2.39000 81.93000 -86.59000 10.47000 36.34000 88.11000 0.00000 0.00000 0.00000 4.55000 14.47000 0.00000 -2.54000 0.00000 -1.37000 0.00000 0.00000 64.00000 PIN3_1CKB-20_23.PDB 9.42000 -39.17000 -17.88000 -67.24000 -2.31000 84.31000 -85.52000 10.15000 38.36000 88.85000 0.00000 0.00000 0.00000 3.85000 14.37000 0.00000 -2.35000 0.00000 -1.63000 0.00000 0.00000 64.00000 PIN3_1CKB-20_24.PDB 9.82000 -38.97000 -12.96000 -67.08000 -1.72000 81.96000 -86.54000 10.47000 36.66000 88.47000 0.00000 0.00000 0.00000 2.82000 14.35000 0.00000 -2.15000 0.00000 -1.14000 0.00000 0.00000 64.00000 PIN3_1CKB-20_25.PDB 12.44000 -39.97000 -12.12000 -67.31000 -1.91000 82.58000 -86.94000 11.97000 36.11000 90.20000 0.00000 0.00000 0.00000 3.75000 14.47000 0.00000 -2.77000 0.00000 -1.15000 0.00000 0.00000 64.00000 PIN3_1CKB-20_26.PDB 12.34000 -38.83000 -10.15000 -65.43000 -0.80000 79.43000 -84.83000 10.35000 33.80000 87.29000 0.00000 0.00000 0.00000 3.89000 14.21000 0.00000 -2.06000 0.00000 -0.30000 0.00000 0.00000 64.00000 PIN3_1CKB-20_27.PDB 9.33000 -38.95000 -14.30000 -66.18000 -2.62000 81.79000 -84.71000 11.99000 35.76000 87.25000 0.00000 0.00000 0.00000 3.21000 14.58000 0.00000 -2.69000 0.00000 -1.21000 0.00000 0.00000 64.00000 PIN3_1CKB-20_28.PDB 8.25000 -38.91000 -13.59000 -67.80000 -2.36000 82.94000 -87.69000 10.99000 36.80000 88.41000 0.00000 0.00000 0.00000 3.57000 14.59000 0.00000 -2.78000 0.00000 -1.33000 0.00000 0.00000 64.00000 PIN3_1CKB-20_29.PDB 17.16000 -39.05000 -14.83000 -67.78000 -2.20000 84.72000 -86.62000 13.55000 37.14000 90.38000 0.00000 0.00000 0.00000 5.81000 14.71000 0.00000 -2.68000 0.00000 -1.28000 0.00000 0.00000 64.00000 PIN3_1CKB-20_30.PDB 10.22000 -38.72000 -12.47000 -67.14000 -2.26000 81.37000 -86.98000 10.97000 36.53000 88.82000 0.00000 0.00000 0.00000 3.28000 14.42000 0.00000 -1.96000 0.00000 -1.23000 0.00000 0.00000 64.00000