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-14_1.PDB 4.28000 -40.17000 -14.24000 -73.35000 -5.78000 92.87000 -93.89000 10.91000 38.65000 90.86000 0.00000 0.00000 0.00000 3.93000 18.60000 0.00000 -2.68000 0.00000 -2.85000 0.00000 0.00000 64.00000 HSE1_1SEM-14_2.PDB 2.31000 -38.53000 -11.71000 -72.18000 -4.87000 90.03000 -92.94000 9.28000 37.09000 88.71000 0.00000 0.00000 0.00000 2.76000 18.68000 0.00000 -2.85000 0.00000 -2.48000 0.00000 0.00000 64.00000 HSE1_1SEM-14_3.PDB 4.94000 -38.49000 -11.70000 -71.36000 -4.69000 89.62000 -91.79000 8.63000 36.45000 89.68000 0.00000 0.00000 0.00000 3.68000 18.69000 0.00000 -2.66000 0.00000 -2.43000 0.00000 0.00000 64.00000 HSE1_1SEM-14_4.PDB 3.73000 -41.05000 -14.33000 -73.28000 -5.14000 92.45000 -93.97000 10.65000 37.91000 91.99000 0.00000 0.00000 0.00000 4.15000 18.91000 0.00000 -3.07000 0.00000 -2.60000 0.00000 0.00000 64.00000 HSE1_1SEM-14_5.PDB 4.06000 -40.30000 -14.38000 -73.14000 -5.59000 92.83000 -93.20000 10.53000 38.69000 91.36000 0.00000 0.00000 0.00000 3.13000 18.57000 0.00000 -2.79000 0.00000 -3.07000 0.00000 0.00000 64.00000 HSE1_1SEM-14_6.PDB 3.48000 -40.15000 -14.20000 -72.10000 -5.55000 91.78000 -92.06000 10.65000 38.06000 89.44000 0.00000 0.00000 0.00000 3.18000 18.61000 0.00000 -2.78000 0.00000 -2.78000 0.00000 0.00000 64.00000 HSE1_1SEM-14_7.PDB 4.75000 -38.65000 -11.88000 -69.87000 -4.69000 88.49000 -89.30000 8.48000 35.87000 88.88000 0.00000 0.00000 0.00000 2.89000 18.50000 0.00000 -2.65000 0.00000 -2.83000 0.00000 0.00000 64.00000 HSE1_1SEM-14_8.PDB 2.45000 -41.10000 -14.43000 -73.57000 -5.09000 92.40000 -94.44000 10.08000 38.12000 91.93000 0.00000 0.00000 0.00000 3.90000 19.06000 0.00000 -2.67000 0.00000 -2.66000 0.00000 0.00000 64.00000 HSE1_1SEM-14_9.PDB 3.94000 -40.15000 -13.25000 -72.87000 -5.35000 91.45000 -93.46000 9.41000 37.81000 91.23000 0.00000 0.00000 0.00000 4.56000 18.75000 0.00000 -2.86000 0.00000 -2.58000 0.00000 0.00000 64.00000 HSE1_1SEM-14_10.PDB 4.36000 -39.87000 -10.29000 -72.30000 -4.43000 88.78000 -93.85000 9.41000 37.67000 90.52000 0.00000 0.00000 0.00000 3.59000 19.29000 0.00000 -2.92000 0.00000 -1.96000 0.00000 0.00000 64.00000 HSE1_1SEM-14_11.PDB 2.92000 -38.67000 -11.84000 -71.63000 -4.58000 89.51000 -92.11000 8.76000 36.55000 89.05000 0.00000 0.00000 0.00000 2.97000 18.60000 0.00000 -2.57000 0.00000 -2.51000 0.00000 0.00000 64.00000 HSE1_1SEM-14_12.PDB 3.71000 -40.00000 -11.99000 -72.82000 -5.70000 90.58000 -93.43000 9.48000 37.70000 91.36000 0.00000 0.00000 0.00000 3.78000 19.30000 0.00000 -3.54000 0.00000 -1.71000 0.00000 0.00000 64.00000 HSE1_1SEM-14_13.PDB 4.99000 -39.21000 -12.91000 -72.24000 -5.89000 91.95000 -92.20000 9.28000 37.42000 90.83000 0.00000 0.00000 0.00000 4.01000 18.83000 0.00000 -3.15000 0.00000 -2.90000 0.00000 0.00000 64.00000 HSE1_1SEM-14_14.PDB 5.28000 -38.49000 -12.60000 -71.90000 -5.86000 91.68000 -91.31000 9.33000 36.92000 90.41000 0.00000 0.00000 0.00000 2.83000 18.95000 0.00000 -2.47000 0.00000 -3.26000 0.00000 0.00000 64.00000 HSE1_1SEM-14_15.PDB 3.96000 -38.51000 -11.75000 -71.26000 -4.61000 89.19000 -91.82000 9.75000 36.22000 88.91000 0.00000 0.00000 0.00000 2.81000 18.49000 0.00000 -2.60000 0.00000 -2.38000 0.00000 0.00000 64.00000 HSE1_1SEM-14_16.PDB 1.03000 -40.81000 -11.48000 -72.43000 -5.64000 89.19000 -93.53000 10.20000 37.20000 90.56000 0.00000 0.00000 0.00000 2.88000 18.85000 0.00000 -3.05000 0.00000 -2.06000 0.00000 0.00000 64.00000 HSE1_1SEM-14_17.PDB 1.75000 -41.03000 -13.25000 -71.15000 -4.71000 88.42000 -91.82000 10.28000 37.50000 89.93000 0.00000 0.00000 0.00000 3.21000 18.27000 0.00000 -3.67000 0.00000 -1.96000 0.00000 0.00000 64.00000 HSE1_1SEM-14_18.PDB 5.02000 -40.97000 -14.24000 -71.96000 -5.28000 91.56000 -92.06000 10.22000 37.31000 91.55000 0.00000 0.00000 0.00000 4.31000 18.90000 0.00000 -2.47000 0.00000 -2.94000 0.00000 0.00000 64.00000 HSE1_1SEM-14_19.PDB 4.05000 -40.26000 -13.92000 -73.09000 -5.42000 92.09000 -93.69000 9.97000 38.18000 91.19000 0.00000 0.00000 0.00000 4.42000 18.66000 0.00000 -2.63000 0.00000 -2.79000 0.00000 0.00000 64.00000 HSE1_1SEM-14_20.PDB 4.85000 -40.19000 -13.53000 -71.52000 -5.21000 91.10000 -91.18000 9.62000 37.12000 91.55000 0.00000 0.00000 0.00000 2.95000 18.58000 0.00000 -2.82000 0.00000 -3.03000 0.00000 0.00000 64.00000 HSE1_1SEM-14_21.PDB 6.81000 -38.46000 -11.15000 -71.63000 -4.81000 90.42000 -91.48000 9.56000 36.62000 89.96000 0.00000 0.00000 0.00000 3.12000 18.80000 0.00000 -2.72000 0.00000 -2.62000 0.00000 0.00000 64.00000 HSE1_1SEM-14_22.PDB 4.55000 -39.28000 -9.78000 -71.67000 -4.11000 87.50000 -93.00000 9.51000 36.32000 90.80000 0.00000 0.00000 0.00000 2.77000 18.63000 0.00000 -2.56000 0.00000 -1.95000 0.00000 0.00000 64.00000 HSE1_1SEM-14_23.PDB 3.82000 -40.20000 -13.51000 -72.79000 -5.53000 91.78000 -93.17000 9.79000 37.90000 90.82000 0.00000 0.00000 0.00000 4.10000 18.97000 0.00000 -2.65000 0.00000 -2.70000 0.00000 0.00000 64.00000 HSE1_1SEM-14_24.PDB 5.01000 -39.97000 -10.58000 -71.37000 -4.27000 88.05000 -92.67000 8.70000 37.27000 90.41000 0.00000 0.00000 0.00000 3.81000 19.14000 0.00000 -2.52000 0.00000 -1.84000 0.00000 0.00000 64.00000 HSE1_1SEM-14_25.PDB 4.73000 -39.25000 -9.40000 -71.47000 -4.22000 87.28000 -93.12000 9.01000 36.36000 90.00000 0.00000 0.00000 0.00000 4.28000 18.82000 0.00000 -3.01000 0.00000 -1.73000 0.00000 0.00000 64.00000 HSE1_1SEM-14_26.PDB 5.02000 -38.55000 -11.65000 -72.15000 -4.89000 90.25000 -92.75000 9.54000 36.54000 90.34000 0.00000 0.00000 0.00000 3.59000 18.85000 0.00000 -2.76000 0.00000 -2.48000 0.00000 0.00000 64.00000 HSE1_1SEM-14_27.PDB 3.41000 -40.10000 -13.38000 -71.94000 -5.35000 90.87000 -91.95000 9.97000 37.51000 89.96000 0.00000 0.00000 0.00000 3.25000 18.31000 0.00000 -2.64000 0.00000 -2.80000 0.00000 0.00000 64.00000 HSE1_1SEM-14_28.PDB 3.85000 -40.12000 -13.42000 -71.36000 -5.36000 90.57000 -91.01000 10.12000 37.00000 90.01000 0.00000 0.00000 0.00000 3.19000 18.57000 0.00000 -2.66000 0.00000 -3.11000 0.00000 0.00000 64.00000 HSE1_1SEM-14_29.PDB 4.28000 -39.35000 -12.21000 -71.34000 -4.08000 88.34000 -92.20000 9.15000 37.66000 90.23000 0.00000 0.00000 0.00000 3.75000 18.78000 0.00000 -3.86000 0.00000 -1.81000 0.00000 0.00000 64.00000 HSE1_1SEM-14_30.PDB 4.26000 -38.60000 -11.83000 -71.50000 -4.72000 89.28000 -92.16000 9.09000 36.57000 89.93000 0.00000 0.00000 0.00000 3.56000 18.63000 0.00000 -2.80000 0.00000 -2.56000 0.00000 0.00000 64.00000