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-28_1.PDB 6.13000 -43.44000 -15.32000 -71.11000 -3.80000 90.79000 -91.86000 10.64000 38.75000 91.28000 0.00000 0.00000 0.00000 5.68000 18.83000 0.00000 -3.20000 0.00000 -2.28000 0.00000 0.00000 65.00000 HSE1_1SEM-28_2.PDB 3.07000 -42.26000 -13.30000 -69.81000 -3.29000 87.53000 -90.78000 10.07000 37.50000 88.95000 0.00000 0.00000 0.00000 3.56000 18.18000 0.00000 -3.22000 0.00000 -1.88000 0.00000 0.00000 65.00000 HSE1_1SEM-28_3.PDB 7.43000 -42.03000 -13.21000 -71.10000 -2.85000 89.32000 -92.61000 10.41000 38.21000 92.63000 0.00000 0.00000 0.00000 3.82000 18.34000 0.00000 -3.14000 0.00000 -2.02000 0.00000 0.00000 65.00000 HSE1_1SEM-28_4.PDB 4.46000 -42.33000 -13.04000 -72.00000 -4.77000 91.18000 -92.88000 11.23000 38.38000 91.30000 0.00000 0.00000 0.00000 3.54000 18.35000 0.00000 -3.66000 0.00000 -2.51000 0.00000 0.00000 65.00000 HSE1_1SEM-28_5.PDB 3.97000 -42.63000 -14.24000 -70.75000 -2.77000 88.32000 -92.15000 10.88000 37.90000 90.40000 0.00000 0.00000 0.00000 3.92000 18.75000 0.00000 -3.10000 0.00000 -1.80000 0.00000 0.00000 65.00000 HSE1_1SEM-28_6.PDB 6.43000 -40.83000 -11.76000 -70.43000 -4.93000 88.91000 -91.16000 10.76000 37.72000 89.89000 0.00000 0.00000 0.00000 4.11000 18.47000 0.00000 -2.95000 0.00000 -2.89000 0.00000 0.00000 65.00000 HSE1_1SEM-28_7.PDB 6.08000 -41.43000 -11.95000 -71.22000 -4.39000 89.35000 -92.40000 10.44000 38.78000 90.77000 0.00000 0.00000 0.00000 3.79000 18.46000 0.00000 -3.24000 0.00000 -2.44000 0.00000 0.00000 65.00000 HSE1_1SEM-28_8.PDB 5.52000 -42.30000 -13.47000 -70.07000 -3.11000 87.89000 -91.09000 11.09000 37.69000 90.71000 0.00000 0.00000 0.00000 3.45000 18.43000 0.00000 -3.02000 0.00000 -2.24000 0.00000 0.00000 65.00000 HSE1_1SEM-28_9.PDB 2.94000 -43.02000 -13.66000 -70.82000 -3.34000 88.70000 -92.25000 12.04000 37.80000 88.66000 0.00000 0.00000 0.00000 3.61000 18.21000 0.00000 -3.01000 0.00000 -1.77000 0.00000 0.00000 65.00000 HSE1_1SEM-28_10.PDB 7.42000 -41.86000 -13.47000 -71.98000 -4.95000 91.74000 -93.02000 10.89000 40.10000 92.04000 0.00000 0.00000 0.00000 3.86000 18.85000 0.00000 -3.08000 0.00000 -2.84000 0.00000 0.00000 65.00000 HSE1_1SEM-28_11.PDB 4.13000 -41.93000 -13.51000 -70.79000 -3.59000 88.71000 -92.12000 11.42000 38.10000 89.39000 0.00000 0.00000 0.00000 3.62000 18.51000 0.00000 -3.22000 0.00000 -1.96000 0.00000 0.00000 65.00000 HSE1_1SEM-28_12.PDB 4.96000 -42.77000 -13.62000 -70.99000 -4.84000 90.69000 -91.76000 10.35000 38.60000 90.84000 0.00000 0.00000 0.00000 4.09000 18.19000 0.00000 -3.30000 0.00000 -2.32000 0.00000 0.00000 65.00000 HSE1_1SEM-28_13.PDB 7.59000 -42.54000 -13.44000 -71.57000 -3.07000 90.57000 -92.51000 10.64000 38.06000 92.22000 0.00000 0.00000 0.00000 3.71000 19.28000 0.00000 -2.57000 0.00000 -1.92000 0.00000 0.00000 65.00000 HSE1_1SEM-28_14.PDB 6.06000 -42.86000 -12.07000 -71.69000 -2.73000 89.29000 -93.43000 10.92000 37.35000 92.04000 0.00000 0.00000 0.00000 3.72000 18.51000 0.00000 -2.87000 0.00000 -1.61000 0.00000 0.00000 65.00000 HSE1_1SEM-28_15.PDB 3.17000 -42.03000 -13.58000 -68.88000 -2.75000 86.06000 -89.58000 9.83000 36.79000 89.08000 0.00000 0.00000 0.00000 3.25000 18.00000 0.00000 -3.09000 0.00000 -1.92000 0.00000 0.00000 65.00000 HSE1_1SEM-28_16.PDB 7.50000 -41.95000 -12.30000 -71.85000 -4.35000 90.94000 -92.56000 10.03000 38.56000 92.37000 0.00000 0.00000 0.00000 4.60000 19.07000 0.00000 -3.59000 0.00000 -2.39000 0.00000 0.00000 65.00000 HSE1_1SEM-28_17.PDB 3.30000 -41.69000 -12.28000 -71.47000 -4.02000 89.16000 -92.77000 10.97000 37.59000 89.18000 0.00000 0.00000 0.00000 3.35000 18.51000 0.00000 -2.85000 0.00000 -1.85000 0.00000 0.00000 65.00000 HSE1_1SEM-28_18.PDB 5.73000 -41.62000 -12.36000 -71.04000 -3.85000 89.00000 -92.10000 11.17000 38.42000 89.69000 0.00000 0.00000 0.00000 3.59000 17.65000 0.00000 -3.12000 0.00000 -2.06000 0.00000 0.00000 65.00000 HSE1_1SEM-28_19.PDB 6.13000 -42.45000 -13.07000 -71.47000 -3.98000 90.05000 -92.06000 11.15000 37.70000 92.63000 0.00000 0.00000 0.00000 3.44000 19.17000 0.00000 -3.27000 0.00000 -2.53000 0.00000 0.00000 65.00000 HSE1_1SEM-28_20.PDB 4.25000 -42.91000 -13.59000 -72.07000 -4.61000 90.83000 -93.07000 10.98000 39.14000 91.27000 0.00000 0.00000 0.00000 4.13000 18.36000 0.00000 -3.45000 0.00000 -2.38000 0.00000 0.00000 65.00000 HSE1_1SEM-28_21.PDB 4.29000 -42.64000 -11.94000 -70.89000 -3.88000 89.58000 -91.68000 11.88000 37.89000 88.14000 0.00000 0.00000 0.00000 3.30000 17.81000 0.00000 -3.47000 0.00000 -1.99000 0.00000 0.00000 65.00000 HSE1_1SEM-28_22.PDB 5.18000 -41.71000 -11.83000 -70.33000 -3.93000 87.62000 -91.24000 11.70000 36.90000 89.02000 0.00000 0.00000 0.00000 3.54000 19.15000 0.00000 -2.44000 0.00000 -2.10000 0.00000 0.00000 65.00000 HSE1_1SEM-28_23.PDB 5.43000 -42.17000 -14.87000 -69.92000 -2.47000 88.39000 -90.79000 10.72000 37.18000 90.87000 0.00000 0.00000 0.00000 3.29000 18.22000 0.00000 -3.02000 0.00000 -1.78000 0.00000 0.00000 65.00000 HSE1_1SEM-28_24.PDB 5.15000 -42.31000 -13.72000 -70.30000 -2.67000 88.04000 -91.79000 10.42000 37.76000 90.04000 0.00000 0.00000 0.00000 3.86000 18.34000 0.00000 -2.86000 0.00000 -1.33000 0.00000 0.00000 65.00000 HSE1_1SEM-28_25.PDB 7.58000 -41.06000 -12.29000 -69.94000 -3.35000 87.56000 -91.23000 11.36000 37.54000 90.00000 0.00000 0.00000 0.00000 3.51000 18.95000 0.00000 -2.60000 0.00000 -1.92000 0.00000 0.00000 65.00000 HSE1_1SEM-28_26.PDB 7.76000 -42.05000 -12.09000 -71.13000 -4.01000 89.82000 -92.20000 11.10000 38.71000 91.20000 0.00000 0.00000 0.00000 3.64000 18.84000 0.00000 -2.99000 0.00000 -2.24000 0.00000 0.00000 65.00000 HSE1_1SEM-28_27.PDB 6.31000 -43.40000 -13.90000 -72.19000 -3.28000 91.46000 -93.02000 11.37000 39.05000 91.38000 0.00000 0.00000 0.00000 3.72000 18.22000 0.00000 -3.08000 0.00000 -1.81000 0.00000 0.00000 65.00000 HSE1_1SEM-28_28.PDB 4.33000 -41.23000 -15.87000 -71.14000 -4.84000 90.35000 -91.99000 10.97000 38.90000 90.62000 0.00000 0.00000 0.00000 3.85000 18.56000 0.00000 -2.94000 0.00000 -2.35000 0.00000 0.00000 65.00000 HSE1_1SEM-28_29.PDB 4.71000 -41.08000 -11.06000 -70.41000 -3.22000 87.13000 -91.39000 9.90000 36.26000 89.90000 0.00000 0.00000 0.00000 3.35000 18.38000 0.00000 -2.90000 0.00000 -1.77000 0.00000 0.00000 65.00000 HSE1_1SEM-28_30.PDB 8.39000 -42.35000 -12.25000 -71.41000 -4.38000 90.50000 -92.41000 11.04000 38.61000 92.02000 0.00000 0.00000 0.00000 3.75000 18.65000 0.00000 -2.68000 0.00000 -2.06000 0.00000 0.00000 65.00000