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-7_1.PDB 6.32000 -37.16000 -8.43000 -64.47000 -0.72000 74.59000 -84.59000 9.88000 31.60000 84.15000 0.00000 0.00000 0.00000 3.53000 13.37000 0.00000 -1.91000 0.00000 -0.15000 0.00000 0.00000 63.00000 PIN3_1CKB-7_2.PDB 5.85000 -36.34000 -7.59000 -63.94000 -0.57000 73.79000 -84.10000 10.76000 30.39000 82.69000 0.00000 0.00000 0.00000 2.74000 13.34000 0.00000 -1.98000 0.00000 -0.00000 0.00000 0.00000 63.00000 PIN3_1CKB-7_3.PDB 4.88000 -36.29000 -6.08000 -64.49000 -0.61000 74.24000 -84.83000 9.58000 29.51000 82.83000 0.00000 0.00000 0.00000 3.11000 13.42000 0.00000 -2.01000 0.00000 -0.08000 0.00000 0.00000 63.00000 PIN3_1CKB-7_4.PDB 6.36000 -36.30000 -7.61000 -63.51000 -0.66000 73.99000 -83.13000 9.32000 30.26000 82.74000 0.00000 0.00000 0.00000 3.25000 13.43000 0.00000 -1.98000 0.00000 -0.01000 0.00000 0.00000 63.00000 PIN3_1CKB-7_5.PDB 6.24000 -37.03000 -8.48000 -64.99000 -0.59000 75.19000 -85.08000 9.95000 32.11000 83.23000 0.00000 0.00000 0.00000 3.85000 13.64000 0.00000 -1.78000 0.00000 -0.13000 0.00000 0.00000 63.00000 PIN3_1CKB-7_6.PDB 6.78000 -36.32000 -7.62000 -64.18000 -0.65000 74.30000 -84.13000 9.29000 30.74000 84.34000 0.00000 0.00000 0.00000 3.03000 13.50000 0.00000 -2.01000 0.00000 -0.02000 0.00000 0.00000 63.00000 PIN3_1CKB-7_7.PDB 6.67000 -37.32000 -9.84000 -63.99000 -0.56000 75.19000 -83.52000 9.33000 32.45000 84.33000 0.00000 0.00000 0.00000 2.93000 13.45000 0.00000 -2.22000 0.00000 -0.10000 0.00000 0.00000 63.00000 PIN3_1CKB-7_8.PDB 6.39000 -36.93000 -8.30000 -63.18000 -0.59000 74.35000 -82.55000 9.31000 30.66000 82.57000 0.00000 0.00000 0.00000 3.15000 13.40000 0.00000 -2.12000 0.00000 0.04000 0.00000 0.00000 63.00000 PIN3_1CKB-7_9.PDB 6.89000 -37.10000 -8.36000 -63.59000 -0.54000 74.24000 -83.15000 9.49000 31.19000 83.84000 0.00000 0.00000 0.00000 3.01000 13.35000 0.00000 -1.97000 0.00000 -0.17000 0.00000 0.00000 63.00000 PIN3_1CKB-7_10.PDB 6.73000 -36.33000 -7.63000 -62.84000 -0.65000 73.66000 -82.26000 9.42000 29.93000 82.60000 0.00000 0.00000 0.00000 2.90000 13.31000 0.00000 -2.01000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKB-7_11.PDB 6.39000 -36.24000 -8.72000 -64.19000 -0.57000 74.92000 -84.12000 9.63000 31.16000 83.76000 0.00000 0.00000 0.00000 2.89000 13.42000 0.00000 -2.13000 0.00000 -0.02000 0.00000 0.00000 63.00000 PIN3_1CKB-7_12.PDB 7.70000 -36.15000 -7.55000 -63.25000 -0.65000 74.19000 -82.65000 9.37000 30.26000 82.87000 0.00000 0.00000 0.00000 3.31000 13.26000 0.00000 -1.92000 0.00000 -0.13000 0.00000 0.00000 63.00000 PIN3_1CKB-7_13.PDB 5.49000 -36.78000 -9.23000 -63.96000 -0.64000 74.82000 -83.55000 9.60000 31.79000 83.11000 0.00000 0.00000 0.00000 2.78000 13.49000 0.00000 -2.45000 0.00000 0.00000 0.00000 0.00000 63.00000 PIN3_1CKB-7_14.PDB 6.32000 -37.05000 -9.56000 -65.06000 -0.66000 75.88000 -84.86000 9.91000 32.46000 84.51000 0.00000 0.00000 0.00000 3.10000 13.52000 0.00000 -2.27000 0.00000 -0.11000 0.00000 0.00000 63.00000 PIN3_1CKB-7_15.PDB 5.88000 -36.30000 -8.70000 -64.77000 -0.53000 75.41000 -84.88000 9.41000 31.50000 83.77000 0.00000 0.00000 0.00000 3.39000 13.54000 0.00000 -2.40000 0.00000 -0.02000 0.00000 0.00000 63.00000 PIN3_1CKB-7_16.PDB 7.59000 -36.19000 -8.73000 -63.40000 -0.55000 74.63000 -82.83000 9.33000 30.97000 83.64000 0.00000 0.00000 0.00000 2.90000 13.34000 0.00000 -2.06000 0.00000 -0.12000 0.00000 0.00000 63.00000 PIN3_1CKB-7_17.PDB 6.94000 -36.13000 -8.66000 -63.01000 -0.64000 74.38000 -82.25000 9.44000 30.61000 82.62000 0.00000 0.00000 0.00000 2.70000 13.34000 0.00000 -2.07000 0.00000 -0.05000 0.00000 0.00000 63.00000 PIN3_1CKB-7_18.PDB 6.26000 -36.28000 -7.25000 -63.49000 -0.57000 74.11000 -83.18000 9.42000 30.04000 82.69000 0.00000 0.00000 0.00000 2.88000 13.33000 0.00000 -2.05000 0.00000 -0.06000 0.00000 0.00000 63.00000 PIN3_1CKB-7_19.PDB 6.80000 -36.07000 -7.43000 -63.29000 -0.99000 74.18000 -82.79000 8.78000 30.46000 82.91000 0.00000 0.00000 0.00000 3.27000 13.33000 0.00000 -1.90000 0.00000 -0.34000 0.00000 0.00000 63.00000 PIN3_1CKB-7_20.PDB 7.22000 -37.74000 -9.10000 -64.59000 -0.87000 75.69000 -84.45000 9.92000 32.26000 84.88000 0.00000 0.00000 0.00000 3.47000 13.39000 0.00000 -2.02000 0.00000 -0.21000 0.00000 0.00000 63.00000 PIN3_1CKB-7_21.PDB 8.01000 -36.60000 -7.91000 -63.51000 -0.73000 74.33000 -83.28000 9.35000 30.70000 84.61000 0.00000 0.00000 0.00000 3.29000 13.39000 0.00000 -2.13000 0.00000 -0.09000 0.00000 0.00000 63.00000 PIN3_1CKB-7_22.PDB 5.94000 -36.07000 -9.02000 -63.01000 -0.63000 72.75000 -83.46000 9.54000 30.94000 82.82000 0.00000 0.00000 0.00000 3.96000 13.34000 0.00000 -1.88000 0.00000 -0.01000 0.00000 0.00000 63.00000 PIN3_1CKB-7_23.PDB 6.69000 -37.08000 -10.01000 -64.40000 -0.56000 74.59000 -84.84000 11.31000 32.73000 84.17000 0.00000 0.00000 0.00000 3.11000 13.56000 0.00000 -2.17000 0.00000 -0.15000 0.00000 0.00000 63.00000 PIN3_1CKB-7_24.PDB 7.42000 -36.27000 -7.59000 -63.93000 -0.57000 73.55000 -84.56000 11.65000 30.29000 83.85000 0.00000 0.00000 0.00000 3.00000 13.45000 0.00000 -1.95000 0.00000 -0.04000 0.00000 0.00000 63.00000 PIN3_1CKB-7_25.PDB 7.58000 -36.27000 -7.60000 -63.12000 -0.77000 74.24000 -82.59000 9.51000 30.09000 83.22000 0.00000 0.00000 0.00000 2.91000 13.35000 0.00000 -2.00000 0.00000 -0.03000 0.00000 0.00000 63.00000 PIN3_1CKB-7_26.PDB 7.26000 -35.63000 -8.90000 -63.83000 -0.77000 74.54000 -83.64000 9.56000 31.34000 83.75000 0.00000 0.00000 0.00000 3.12000 13.34000 0.00000 -1.99000 0.00000 -0.29000 0.00000 0.00000 63.00000 PIN3_1CKB-7_27.PDB 7.14000 -36.82000 -8.22000 -63.53000 -0.81000 74.08000 -83.41000 9.44000 31.23000 84.22000 0.00000 0.00000 0.00000 3.21000 13.37000 0.00000 -2.02000 0.00000 -0.23000 0.00000 0.00000 63.00000 PIN3_1CKB-7_28.PDB 5.27000 -36.97000 -8.42000 -63.93000 -0.87000 74.66000 -83.98000 9.33000 31.49000 83.07000 0.00000 0.00000 0.00000 3.00000 13.35000 0.00000 -1.88000 0.00000 -0.24000 0.00000 0.00000 63.00000 PIN3_1CKB-7_29.PDB 4.36000 -36.22000 -7.76000 -63.66000 -0.72000 73.96000 -83.84000 9.48000 30.48000 81.77000 0.00000 0.00000 0.00000 2.87000 13.36000 0.00000 -1.92000 0.00000 -0.07000 0.00000 0.00000 63.00000 PIN3_1CKB-7_30.PDB 6.43000 -36.18000 -7.48000 -63.92000 -0.70000 74.19000 -84.15000 8.30000 30.30000 83.29000 0.00000 0.00000 0.00000 4.51000 13.49000 0.00000 -1.69000 0.00000 -0.03000 0.00000 0.00000 63.00000