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-9_1.PDB 2.09000 -38.33000 -11.79000 -66.07000 -1.54000 79.43000 -85.56000 9.23000 33.46000 83.07000 0.00000 0.00000 0.00000 3.32000 13.91000 0.00000 -2.03000 0.00000 -1.08000 0.00000 0.00000 63.00000 PIN3_1CKB-9_2.PDB 2.32000 -38.35000 -9.96000 -66.08000 -1.33000 78.03000 -85.75000 9.55000 32.83000 83.26000 0.00000 0.00000 0.00000 3.09000 13.88000 0.00000 -2.11000 0.00000 -0.86000 0.00000 0.00000 63.00000 PIN3_1CKB-9_3.PDB 1.22000 -38.43000 -9.17000 -66.00000 -1.36000 77.43000 -86.32000 9.43000 32.37000 82.73000 0.00000 0.00000 0.00000 3.15000 13.91000 0.00000 -2.05000 0.00000 -0.56000 0.00000 0.00000 63.00000 PIN3_1CKB-9_4.PDB 1.33000 -38.58000 -11.39000 -65.72000 -1.84000 78.05000 -85.12000 9.69000 33.54000 83.44000 0.00000 0.00000 0.00000 3.02000 13.81000 0.00000 -2.73000 0.00000 -1.05000 0.00000 0.00000 63.00000 PIN3_1CKB-9_5.PDB 0.06000 -38.35000 -9.74000 -66.54000 -1.53000 77.36000 -87.08000 9.70000 33.09000 82.94000 0.00000 0.00000 0.00000 3.21000 13.93000 0.00000 -2.35000 0.00000 -0.64000 0.00000 0.00000 63.00000 PIN3_1CKB-9_6.PDB 1.98000 -38.33000 -13.22000 -65.78000 -1.44000 78.78000 -84.87000 9.09000 34.08000 83.63000 0.00000 0.00000 0.00000 3.09000 13.86000 0.00000 -2.29000 0.00000 -0.76000 0.00000 0.00000 63.00000 PIN3_1CKB-9_7.PDB 3.72000 -38.15000 -10.47000 -66.52000 -1.34000 78.38000 -86.27000 9.20000 33.33000 85.33000 0.00000 0.00000 0.00000 3.29000 13.95000 0.00000 -2.25000 0.00000 -0.83000 0.00000 0.00000 63.00000 PIN3_1CKB-9_8.PDB 4.39000 -38.04000 -10.34000 -66.57000 -1.28000 78.79000 -86.17000 9.27000 33.39000 85.37000 0.00000 0.00000 0.00000 3.17000 13.98000 0.00000 -2.39000 0.00000 -0.80000 0.00000 0.00000 63.00000 PIN3_1CKB-9_9.PDB 2.83000 -37.55000 -11.55000 -67.15000 -1.54000 78.53000 -87.08000 10.54000 34.57000 83.91000 0.00000 0.00000 0.00000 3.06000 14.09000 0.00000 -2.04000 0.00000 -0.88000 0.00000 0.00000 63.00000 PIN3_1CKB-9_10.PDB 5.80000 -38.13000 -13.06000 -67.40000 -1.66000 80.52000 -87.02000 12.61000 34.96000 85.07000 0.00000 0.00000 0.00000 3.10000 14.12000 0.00000 -2.27000 0.00000 -0.93000 0.00000 0.00000 63.00000 PIN3_1CKB-9_11.PDB 0.99000 -37.04000 -10.70000 -65.85000 -1.69000 76.63000 -85.96000 9.82000 33.49000 82.41000 0.00000 0.00000 0.00000 3.07000 13.82000 0.00000 -2.56000 0.00000 -0.64000 0.00000 0.00000 63.00000 PIN3_1CKB-9_12.PDB 2.19000 -38.42000 -10.00000 -65.77000 -1.35000 77.85000 -85.34000 9.29000 32.64000 83.14000 0.00000 0.00000 0.00000 3.05000 13.79000 0.00000 -2.01000 0.00000 -0.88000 0.00000 0.00000 63.00000 PIN3_1CKB-9_13.PDB 4.27000 -38.08000 -9.78000 -65.76000 -1.30000 78.19000 -85.16000 9.31000 32.37000 84.27000 0.00000 0.00000 0.00000 3.20000 13.80000 0.00000 -2.11000 0.00000 -0.88000 0.00000 0.00000 63.00000 PIN3_1CKB-9_14.PDB 2.89000 -38.07000 -10.59000 -66.32000 -1.31000 77.90000 -86.00000 10.07000 33.45000 83.93000 0.00000 0.00000 0.00000 3.05000 13.98000 0.00000 -2.35000 0.00000 -0.84000 0.00000 0.00000 63.00000 PIN3_1CKB-9_15.PDB 0.81000 -37.04000 -11.69000 -65.81000 -1.61000 76.95000 -85.75000 9.57000 33.65000 82.37000 0.00000 0.00000 0.00000 3.25000 13.83000 0.00000 -2.45000 0.00000 -0.64000 0.00000 0.00000 63.00000 PIN3_1CKB-9_16.PDB 4.03000 -38.08000 -10.26000 -66.85000 -1.61000 78.41000 -86.44000 10.23000 34.15000 84.58000 0.00000 0.00000 0.00000 3.27000 14.02000 0.00000 -2.37000 0.00000 -1.00000 0.00000 0.00000 63.00000 PIN3_1CKB-9_17.PDB 1.64000 -37.58000 -11.96000 -66.69000 -1.47000 77.86000 -86.68000 9.53000 34.44000 84.02000 0.00000 0.00000 0.00000 3.20000 14.06000 0.00000 -2.13000 0.00000 -0.89000 0.00000 0.00000 63.00000 PIN3_1CKB-9_18.PDB 1.63000 -38.13000 -13.13000 -66.98000 -1.65000 79.94000 -86.33000 9.49000 34.80000 84.03000 0.00000 0.00000 0.00000 3.21000 13.97000 0.00000 -2.36000 0.00000 -1.25000 0.00000 0.00000 63.00000 PIN3_1CKB-9_19.PDB 1.83000 -38.93000 -11.35000 -66.16000 -1.28000 78.24000 -85.82000 9.34000 33.29000 84.32000 0.00000 0.00000 0.00000 3.32000 13.92000 0.00000 -2.31000 0.00000 -0.83000 0.00000 0.00000 63.00000 PIN3_1CKB-9_20.PDB 2.56000 -38.18000 -7.84000 -66.41000 -1.50000 77.33000 -86.99000 9.95000 31.87000 84.16000 0.00000 0.00000 0.00000 3.15000 13.89000 0.00000 -2.35000 0.00000 -0.64000 0.00000 0.00000 63.00000 PIN3_1CKB-9_21.PDB 3.60000 -37.70000 -8.72000 -66.03000 -1.14000 76.10000 -86.66000 10.62000 32.60000 83.83000 0.00000 0.00000 0.00000 3.19000 13.87000 0.00000 -2.07000 0.00000 -0.43000 0.00000 0.00000 63.00000 PIN3_1CKB-9_22.PDB 3.09000 -38.64000 -11.88000 -65.08000 -1.50000 77.90000 -84.21000 9.31000 32.56000 84.81000 0.00000 0.00000 0.00000 3.13000 13.83000 0.00000 -2.43000 0.00000 -0.87000 0.00000 0.00000 63.00000 PIN3_1CKB-9_23.PDB 1.78000 -38.41000 -9.35000 -65.81000 -1.04000 76.56000 -86.17000 10.07000 32.36000 82.82000 0.00000 0.00000 0.00000 3.28000 13.87000 0.00000 -2.16000 0.00000 -0.39000 0.00000 0.00000 63.00000 PIN3_1CKB-9_24.PDB 3.37000 -38.33000 -9.26000 -65.11000 -1.22000 76.97000 -84.82000 9.18000 31.79000 83.64000 0.00000 0.00000 0.00000 3.25000 13.80000 0.00000 -2.20000 0.00000 -0.50000 0.00000 0.00000 63.00000 PIN3_1CKB-9_25.PDB 1.23000 -38.45000 -9.41000 -66.22000 -1.12000 77.23000 -86.56000 9.55000 32.81000 82.84000 0.00000 0.00000 0.00000 3.13000 13.97000 0.00000 -2.14000 0.00000 -0.42000 0.00000 0.00000 63.00000 PIN3_1CKB-9_26.PDB 3.95000 -38.06000 -10.59000 -65.72000 -1.60000 78.09000 -84.90000 9.18000 33.29000 85.05000 0.00000 0.00000 0.00000 3.22000 13.82000 0.00000 -2.96000 0.00000 -1.06000 0.00000 0.00000 63.00000 PIN3_1CKB-9_27.PDB 3.19000 -37.71000 -9.43000 -65.69000 -1.45000 77.04000 -85.80000 9.37000 32.43000 83.85000 0.00000 0.00000 0.00000 3.31000 13.68000 0.00000 -2.13000 0.00000 -0.60000 0.00000 0.00000 63.00000 PIN3_1CKB-9_28.PDB 1.80000 -37.38000 -10.83000 -65.72000 -1.67000 76.86000 -85.33000 9.76000 33.59000 83.17000 0.00000 0.00000 0.00000 3.08000 13.83000 0.00000 -2.88000 0.00000 -0.86000 0.00000 0.00000 63.00000 PIN3_1CKB-9_29.PDB 1.56000 -38.10000 -12.16000 -67.37000 -1.32000 79.32000 -87.32000 9.30000 34.68000 84.62000 0.00000 0.00000 0.00000 3.26000 14.21000 0.00000 -2.54000 0.00000 -0.80000 0.00000 0.00000 63.00000 PIN3_1CKB-9_30.PDB 3.13000 -38.03000 -10.72000 -65.70000 -1.69000 77.62000 -85.02000 9.09000 33.47000 84.63000 0.00000 0.00000 0.00000 3.18000 13.78000 0.00000 -2.64000 0.00000 -1.05000 0.00000 0.00000 63.00000