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-8_1.PDB 6.27000 -36.28000 -6.49000 -65.60000 -0.86000 74.51000 -86.80000 10.69000 30.80000 83.93000 0.00000 0.00000 0.00000 4.09000 13.68000 0.00000 -1.71000 0.00000 -0.02000 0.00000 0.00000 63.00000 PIN3_1CKB-8_2.PDB 5.87000 -36.23000 -6.51000 -65.29000 -0.76000 74.43000 -86.35000 9.53000 30.38000 83.93000 0.00000 0.00000 0.00000 4.17000 13.67000 0.00000 -1.60000 0.00000 0.18000 0.00000 0.00000 63.00000 PIN3_1CKB-8_3.PDB 6.41000 -36.22000 -6.51000 -66.02000 -0.67000 74.88000 -87.42000 10.10000 30.82000 84.15000 0.00000 0.00000 0.00000 4.79000 13.66000 0.00000 -1.61000 0.00000 0.12000 0.00000 0.00000 63.00000 PIN3_1CKB-8_4.PDB 6.71000 -37.43000 -7.62000 -65.98000 -0.71000 75.76000 -87.18000 10.29000 31.74000 85.48000 0.00000 0.00000 0.00000 4.09000 13.63000 0.00000 -1.78000 0.00000 0.05000 0.00000 0.00000 63.00000 PIN3_1CKB-8_5.PDB 7.82000 -36.92000 -7.10000 -66.40000 -0.27000 76.50000 -87.68000 10.96000 31.67000 84.57000 0.00000 0.00000 0.00000 4.13000 13.56000 0.00000 -1.82000 0.00000 0.17000 0.00000 0.00000 63.00000 PIN3_1CKB-8_6.PDB 7.51000 -37.67000 -7.91000 -65.50000 -0.40000 76.44000 -86.48000 10.49000 31.55000 84.28000 0.00000 0.00000 0.00000 4.02000 13.66000 0.00000 -1.56000 0.00000 0.26000 0.00000 0.00000 63.00000 PIN3_1CKB-8_7.PDB 6.41000 -36.27000 -6.51000 -65.69000 -0.89000 74.56000 -86.97000 9.92000 30.89000 84.92000 0.00000 0.00000 0.00000 4.09000 13.65000 0.00000 -1.58000 0.00000 -0.07000 0.00000 0.00000 63.00000 PIN3_1CKB-8_8.PDB 7.01000 -37.13000 -7.32000 -65.42000 -0.76000 75.18000 -86.45000 10.56000 30.96000 84.88000 0.00000 0.00000 0.00000 3.91000 13.63000 0.00000 -1.58000 0.00000 0.18000 0.00000 0.00000 63.00000 PIN3_1CKB-8_9.PDB 6.55000 -36.32000 -6.51000 -65.99000 -0.63000 74.74000 -87.33000 9.91000 30.99000 85.05000 0.00000 0.00000 0.00000 4.17000 13.64000 0.00000 -1.62000 0.00000 0.10000 0.00000 0.00000 63.00000 PIN3_1CKB-8_10.PDB 6.37000 -36.27000 -6.49000 -65.46000 -0.89000 74.09000 -86.87000 11.54000 30.59000 83.25000 0.00000 0.00000 0.00000 4.58000 13.70000 0.00000 -1.69000 0.00000 -0.01000 0.00000 0.00000 63.00000 PIN3_1CKB-8_11.PDB 5.73000 -36.49000 -6.80000 -64.84000 -0.89000 74.21000 -85.62000 9.56000 30.38000 83.30000 0.00000 0.00000 0.00000 4.68000 13.62000 0.00000 -1.71000 0.00000 -0.05000 0.00000 0.00000 63.00000 PIN3_1CKB-8_12.PDB 4.65000 -37.10000 -7.31000 -65.23000 -0.78000 74.70000 -86.40000 10.47000 30.78000 83.21000 0.00000 0.00000 0.00000 3.85000 13.67000 0.00000 -1.70000 0.00000 0.17000 0.00000 0.00000 63.00000 PIN3_1CKB-8_13.PDB 5.25000 -36.25000 -6.51000 -65.62000 -0.66000 74.32000 -86.99000 9.82000 30.57000 83.36000 0.00000 0.00000 0.00000 4.68000 13.62000 0.00000 -1.60000 0.00000 0.13000 0.00000 0.00000 63.00000 PIN3_1CKB-8_14.PDB 7.53000 -36.61000 -6.86000 -64.29000 -0.73000 73.63000 -84.93000 10.90000 29.99000 83.09000 0.00000 0.00000 0.00000 4.70000 13.59000 0.00000 -1.53000 0.00000 0.19000 0.00000 0.00000 63.00000 PIN3_1CKB-8_15.PDB 4.97000 -36.61000 -6.80000 -65.40000 -0.65000 74.42000 -86.43000 9.73000 30.53000 83.51000 0.00000 0.00000 0.00000 4.18000 13.59000 0.00000 -1.62000 0.00000 0.12000 0.00000 0.00000 63.00000 PIN3_1CKB-8_16.PDB 5.50000 -36.90000 -7.15000 -65.40000 -0.50000 75.35000 -86.63000 9.77000 31.04000 83.53000 0.00000 0.00000 0.00000 3.84000 13.66000 0.00000 -1.55000 0.00000 0.09000 0.00000 0.00000 63.00000 PIN3_1CKB-8_17.PDB 6.86000 -37.13000 -7.43000 -65.03000 -0.54000 75.25000 -85.95000 9.82000 31.05000 83.55000 0.00000 0.00000 0.00000 4.83000 13.65000 0.00000 -1.59000 0.00000 0.02000 0.00000 0.00000 63.00000 PIN3_1CKB-8_18.PDB 6.70000 -36.98000 -7.29000 -65.74000 -0.51000 75.39000 -87.03000 10.01000 31.39000 84.23000 0.00000 0.00000 0.00000 4.75000 13.69000 0.00000 -1.74000 0.00000 0.22000 0.00000 0.00000 63.00000 PIN3_1CKB-8_19.PDB 5.53000 -37.84000 -8.07000 -65.23000 -0.55000 75.45000 -86.34000 9.98000 31.47000 84.11000 0.00000 0.00000 0.00000 3.94000 13.63000 0.00000 -1.71000 0.00000 0.32000 0.00000 0.00000 63.00000 PIN3_1CKB-8_20.PDB 6.74000 -37.69000 -7.92000 -64.77000 -0.40000 75.96000 -85.41000 10.12000 31.18000 83.19000 0.00000 0.00000 0.00000 3.87000 13.60000 0.00000 -1.65000 0.00000 0.26000 0.00000 0.00000 63.00000 PIN3_1CKB-8_21.PDB 7.30000 -37.27000 -7.48000 -65.54000 -0.30000 75.72000 -86.62000 10.57000 31.26000 83.71000 0.00000 0.00000 0.00000 4.86000 13.60000 0.00000 -1.77000 0.00000 0.19000 0.00000 0.00000 63.00000 PIN3_1CKB-8_22.PDB 5.02000 -38.01000 -8.55000 -66.24000 -1.41000 77.49000 -86.42000 9.76000 32.83000 84.24000 0.00000 0.00000 0.00000 3.85000 13.67000 0.00000 -1.99000 0.00000 -0.53000 0.00000 0.00000 63.00000 PIN3_1CKB-8_23.PDB 6.82000 -37.96000 -8.15000 -65.78000 -1.54000 77.01000 -86.17000 11.60000 32.07000 83.97000 0.00000 0.00000 0.00000 3.81000 13.66000 0.00000 -1.72000 0.00000 -0.30000 0.00000 0.00000 63.00000 PIN3_1CKB-8_24.PDB 6.77000 -35.68000 -8.26000 -66.17000 -1.15000 76.66000 -86.45000 9.70000 32.30000 84.17000 0.00000 0.00000 0.00000 3.98000 13.61000 0.00000 -1.90000 0.00000 -0.42000 0.00000 0.00000 63.00000 PIN3_1CKB-8_25.PDB 7.24000 -36.39000 -8.43000 -65.17000 -0.93000 75.25000 -85.76000 10.38000 31.76000 83.80000 0.00000 0.00000 0.00000 4.62000 13.61000 0.00000 -1.74000 0.00000 -0.18000 0.00000 0.00000 63.00000 PIN3_1CKB-8_26.PDB 7.42000 -36.31000 -6.51000 -65.59000 -0.90000 74.64000 -86.74000 11.31000 30.76000 83.95000 0.00000 0.00000 0.00000 4.42000 13.68000 0.00000 -1.56000 0.00000 -0.05000 0.00000 0.00000 63.00000 PIN3_1CKB-8_27.PDB 8.38000 -38.88000 -9.10000 -66.27000 -0.88000 78.24000 -86.52000 12.14000 33.53000 84.30000 0.00000 0.00000 0.00000 3.87000 13.60000 0.00000 -1.65000 0.00000 -0.39000 0.00000 0.00000 63.00000 PIN3_1CKB-8_28.PDB 5.85000 -37.06000 -7.31000 -65.35000 -1.19000 76.14000 -86.21000 9.49000 31.21000 83.75000 0.00000 0.00000 0.00000 4.10000 13.67000 0.00000 -1.66000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKB-8_29.PDB 7.67000 -37.18000 -7.66000 -66.19000 -1.18000 77.34000 -87.24000 11.15000 32.10000 83.99000 0.00000 0.00000 0.00000 4.79000 13.68000 0.00000 -1.98000 0.00000 -0.28000 0.00000 0.00000 63.00000 PIN3_1CKB-8_30.PDB 6.90000 -36.29000 -6.53000 -65.95000 -0.66000 74.78000 -87.27000 10.62000 30.85000 84.11000 0.00000 0.00000 0.00000 4.68000 13.69000 0.00000 -1.56000 0.00000 0.12000 0.00000 0.00000 63.00000