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 HSE1_1SEM-18_1.PDB 14.01000 -38.46000 -12.60000 -70.43000 -2.24000 84.30000 -92.52000 14.10000 36.44000 93.23000 0.00000 0.00000 0.00000 5.29000 17.30000 0.00000 -2.55000 0.00000 -0.56000 0.00000 0.00000 65.00000 HSE1_1SEM-18_2.PDB 12.27000 -38.46000 -12.50000 -70.28000 -2.13000 84.06000 -92.46000 13.64000 36.35000 91.80000 0.00000 0.00000 0.00000 5.16000 17.25000 0.00000 -2.37000 0.00000 -0.52000 0.00000 0.00000 65.00000 HSE1_1SEM-18_3.PDB 15.07000 -38.47000 -11.77000 -70.25000 -1.80000 83.81000 -92.18000 15.27000 36.00000 93.21000 0.00000 0.00000 0.00000 3.71000 17.29000 0.00000 -2.23000 0.00000 -0.23000 0.00000 0.00000 65.00000 HSE1_1SEM-18_4.PDB 14.54000 -39.17000 -14.83000 -69.90000 -2.39000 85.13000 -90.96000 15.37000 37.48000 93.64000 0.00000 0.00000 0.00000 3.62000 17.19000 0.00000 -2.87000 0.00000 -0.60000 0.00000 0.00000 65.00000 HSE1_1SEM-18_5.PDB 17.27000 -37.62000 -11.82000 -70.17000 -2.07000 84.28000 -92.20000 16.66000 35.46000 92.93000 0.00000 0.00000 0.00000 4.43000 17.33000 0.00000 -2.19000 0.00000 -0.42000 0.00000 0.00000 65.00000 HSE1_1SEM-18_6.PDB 11.69000 -38.46000 -11.74000 -70.24000 -1.75000 83.62000 -92.56000 12.60000 36.03000 92.04000 0.00000 0.00000 0.00000 5.13000 17.18000 0.00000 -2.74000 0.00000 -0.23000 0.00000 0.00000 65.00000 HSE1_1SEM-18_7.PDB 10.82000 -38.49000 -12.70000 -70.31000 -2.15000 83.99000 -92.50000 14.22000 36.44000 92.30000 0.00000 0.00000 0.00000 3.35000 17.14000 0.00000 -2.78000 0.00000 -0.55000 0.00000 0.00000 65.00000 HSE1_1SEM-18_8.PDB 12.00000 -38.48000 -14.28000 -69.92000 -1.89000 83.70000 -91.79000 12.91000 37.04000 92.35000 0.00000 0.00000 0.00000 5.17000 17.16000 0.00000 -2.57000 0.00000 -0.23000 0.00000 0.00000 65.00000 HSE1_1SEM-18_9.PDB 14.43000 -38.50000 -12.49000 -69.76000 -2.45000 83.46000 -91.78000 16.13000 36.09000 93.09000 0.00000 0.00000 0.00000 4.00000 17.35000 0.00000 -2.45000 0.00000 -0.91000 0.00000 0.00000 65.00000 HSE1_1SEM-18_10.PDB 9.60000 -38.45000 -12.53000 -70.06000 -2.19000 84.00000 -92.30000 13.42000 36.45000 91.31000 0.00000 0.00000 0.00000 3.21000 17.12000 0.00000 -2.69000 0.00000 -0.56000 0.00000 0.00000 65.00000 HSE1_1SEM-18_11.PDB 11.95000 -38.02000 -12.17000 -70.44000 -2.04000 84.55000 -92.59000 13.84000 36.19000 92.23000 0.00000 0.00000 0.00000 3.47000 17.12000 0.00000 -2.68000 0.00000 -0.41000 0.00000 0.00000 65.00000 HSE1_1SEM-18_12.PDB 11.03000 -38.42000 -12.26000 -69.42000 -2.58000 83.12000 -91.47000 12.75000 36.20000 91.81000 0.00000 0.00000 0.00000 4.65000 17.18000 0.00000 -2.36000 0.00000 -0.98000 0.00000 0.00000 65.00000 HSE1_1SEM-18_13.PDB 14.16000 -39.30000 -12.89000 -70.49000 -3.44000 85.18000 -92.06000 15.10000 37.95000 93.50000 0.00000 0.00000 0.00000 4.96000 17.26000 0.00000 -2.76000 0.00000 -1.60000 0.00000 0.00000 65.00000 HSE1_1SEM-18_14.PDB 17.26000 -38.48000 -13.48000 -68.91000 -1.46000 83.22000 -90.13000 14.76000 35.84000 93.23000 0.00000 0.00000 0.00000 4.75000 17.21000 0.00000 -2.22000 0.00000 0.15000 0.00000 0.00000 65.00000 HSE1_1SEM-18_15.PDB 17.06000 -37.70000 -10.16000 -70.05000 -1.77000 83.44000 -92.12000 15.55000 34.90000 93.11000 0.00000 0.00000 0.00000 4.60000 17.26000 0.00000 -2.41000 0.00000 -0.33000 0.00000 0.00000 65.00000 HSE1_1SEM-18_16.PDB 15.07000 -38.44000 -10.79000 -70.00000 -1.65000 83.11000 -92.28000 15.36000 35.58000 92.13000 0.00000 0.00000 0.00000 4.41000 17.27000 0.00000 -2.16000 0.00000 -0.20000 0.00000 0.00000 65.00000 HSE1_1SEM-18_17.PDB 15.44000 -38.50000 -10.81000 -69.25000 -1.94000 82.49000 -91.18000 15.08000 35.36000 92.62000 0.00000 0.00000 0.00000 4.60000 17.28000 0.00000 -2.45000 0.00000 -0.57000 0.00000 0.00000 65.00000 HSE1_1SEM-18_18.PDB 9.71000 -40.02000 -13.85000 -70.98000 -3.65000 86.17000 -92.42000 13.85000 37.95000 92.33000 0.00000 0.00000 0.00000 4.72000 17.33000 0.00000 -2.72000 0.00000 -1.66000 0.00000 0.00000 65.00000 HSE1_1SEM-18_19.PDB 12.57000 -39.05000 -11.87000 -69.21000 -1.97000 83.47000 -90.38000 13.43000 35.19000 92.08000 0.00000 0.00000 0.00000 3.80000 17.05000 0.00000 -2.66000 0.00000 -0.26000 0.00000 0.00000 65.00000 HSE1_1SEM-18_20.PDB 17.29000 -38.13000 -13.37000 -69.73000 -1.63000 84.60000 -91.23000 14.94000 36.09000 93.58000 0.00000 0.00000 0.00000 4.88000 17.36000 0.00000 -2.63000 0.00000 -0.08000 0.00000 0.00000 65.00000 HSE1_1SEM-18_21.PDB 15.19000 -38.49000 -10.97000 -71.00000 -2.56000 85.07000 -93.01000 14.46000 36.49000 93.50000 0.00000 0.00000 0.00000 5.36000 17.41000 0.00000 -2.64000 0.00000 -1.01000 0.00000 0.00000 65.00000 HSE1_1SEM-18_22.PDB 15.25000 -38.46000 -13.52000 -69.33000 -1.82000 83.50000 -91.02000 14.53000 36.39000 92.50000 0.00000 0.00000 0.00000 5.13000 17.34000 0.00000 -2.42000 0.00000 -0.23000 0.00000 0.00000 65.00000 HSE1_1SEM-18_23.PDB 13.79000 -37.65000 -10.87000 -69.72000 -1.60000 83.03000 -91.97000 13.38000 34.72000 91.73000 0.00000 0.00000 0.00000 4.91000 17.19000 0.00000 -2.10000 0.00000 -0.08000 0.00000 0.00000 65.00000 HSE1_1SEM-18_24.PDB 13.06000 -38.04000 -12.19000 -70.63000 -2.06000 84.58000 -93.11000 14.69000 36.06000 92.40000 0.00000 0.00000 0.00000 4.58000 17.24000 0.00000 -2.80000 0.00000 -0.43000 0.00000 0.00000 65.00000 HSE1_1SEM-18_25.PDB 10.00000 -38.49000 -11.80000 -69.98000 -1.69000 83.09000 -92.36000 13.53000 35.88000 91.16000 0.00000 0.00000 0.00000 3.43000 17.09000 0.00000 -2.58000 0.00000 -0.20000 0.00000 0.00000 65.00000 HSE1_1SEM-18_26.PDB 14.11000 -39.36000 -13.30000 -70.93000 -2.13000 85.23000 -92.70000 14.49000 37.57000 93.46000 0.00000 0.00000 0.00000 5.42000 17.41000 0.00000 -3.03000 0.00000 -0.61000 0.00000 0.00000 65.00000 HSE1_1SEM-18_27.PDB 12.73000 -39.35000 -15.58000 -69.69000 -2.45000 84.18000 -91.12000 13.79000 37.84000 93.20000 0.00000 0.00000 0.00000 5.15000 17.21000 0.00000 -2.50000 0.00000 -0.73000 0.00000 0.00000 65.00000 HSE1_1SEM-18_28.PDB 13.30000 -37.64000 -12.76000 -69.06000 -1.63000 82.90000 -90.88000 13.06000 35.86000 91.72000 0.00000 0.00000 0.00000 4.59000 17.23000 0.00000 -2.83000 0.00000 -0.04000 0.00000 0.00000 65.00000 HSE1_1SEM-18_29.PDB 14.67000 -38.08000 -11.48000 -69.79000 -2.59000 83.81000 -91.89000 14.22000 35.78000 92.91000 0.00000 0.00000 0.00000 5.57000 17.33000 0.00000 -2.68000 0.00000 -1.11000 0.00000 0.00000 65.00000 HSE1_1SEM-18_30.PDB 9.38000 -38.48000 -14.13000 -69.59000 -1.86000 82.86000 -91.76000 12.22000 36.73000 91.09000 0.00000 0.00000 0.00000 4.93000 17.14000 0.00000 -2.38000 0.00000 -0.25000 0.00000 0.00000 65.00000