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-1_1.PDB 3.68000 -42.94000 -12.27000 -71.20000 -4.61000 87.98000 -92.79000 12.78000 37.01000 90.49000 0.00000 0.00000 0.00000 5.37000 16.73000 0.00000 -3.50000 0.00000 -2.63000 0.00000 0.00000 65.00000 HSE1_1SEM-1_2.PDB 3.64000 -43.51000 -14.42000 -71.82000 -4.75000 89.26000 -93.05000 12.86000 38.65000 90.77000 0.00000 0.00000 0.00000 5.54000 16.92000 0.00000 -2.96000 0.00000 -2.93000 0.00000 0.00000 65.00000 HSE1_1SEM-1_3.PDB 5.47000 -42.12000 -14.13000 -72.01000 -4.53000 90.65000 -92.77000 12.74000 36.92000 91.33000 0.00000 0.00000 0.00000 5.56000 16.84000 0.00000 -3.47000 0.00000 -2.70000 0.00000 0.00000 65.00000 HSE1_1SEM-1_4.PDB 7.08000 -41.58000 -12.24000 -71.11000 -4.67000 88.88000 -92.16000 13.54000 36.24000 89.95000 0.00000 0.00000 0.00000 5.15000 16.80000 0.00000 -1.98000 0.00000 -2.92000 0.00000 0.00000 65.00000 HSE1_1SEM-1_5.PDB 6.18000 -42.72000 -14.43000 -72.62000 -4.63000 91.24000 -93.13000 12.38000 37.87000 91.69000 0.00000 0.00000 0.00000 5.68000 17.11000 0.00000 -2.49000 0.00000 -2.67000 0.00000 0.00000 65.00000 HSE1_1SEM-1_6.PDB 4.70000 -41.37000 -13.92000 -70.81000 -3.91000 87.39000 -92.21000 12.20000 37.01000 90.14000 0.00000 0.00000 0.00000 5.31000 16.79000 0.00000 -2.57000 0.00000 -2.54000 0.00000 0.00000 65.00000 HSE1_1SEM-1_7.PDB 3.98000 -42.09000 -12.47000 -71.76000 -4.83000 88.97000 -93.26000 12.87000 36.97000 90.51000 0.00000 0.00000 0.00000 5.46000 16.84000 0.00000 -3.57000 0.00000 -2.82000 0.00000 0.00000 65.00000 HSE1_1SEM-1_8.PDB 6.00000 -41.92000 -12.68000 -71.32000 -4.92000 89.31000 -92.30000 13.16000 37.06000 89.84000 0.00000 0.00000 0.00000 5.40000 16.85000 0.00000 -2.38000 0.00000 -3.24000 0.00000 0.00000 65.00000 HSE1_1SEM-1_9.PDB 4.42000 -41.61000 -13.38000 -72.06000 -4.52000 89.38000 -93.14000 13.51000 36.56000 90.38000 0.00000 0.00000 0.00000 5.17000 16.81000 0.00000 -3.13000 0.00000 -2.74000 0.00000 0.00000 65.00000 HSE1_1SEM-1_10.PDB 3.95000 -42.65000 -12.93000 -71.87000 -4.72000 88.59000 -93.52000 12.99000 37.68000 90.68000 0.00000 0.00000 0.00000 5.26000 16.91000 0.00000 -3.04000 0.00000 -2.52000 0.00000 0.00000 65.00000 HSE1_1SEM-1_11.PDB 5.60000 -40.77000 -13.29000 -70.01000 -3.82000 86.23000 -91.62000 12.99000 35.88000 89.68000 0.00000 0.00000 0.00000 5.02000 16.68000 0.00000 -2.43000 0.00000 -2.26000 0.00000 0.00000 65.00000 HSE1_1SEM-1_12.PDB 5.94000 -43.13000 -11.98000 -70.15000 -5.12000 88.16000 -90.73000 12.43000 37.38000 90.43000 0.00000 0.00000 0.00000 5.31000 16.72000 0.00000 -3.64000 0.00000 -3.01000 0.00000 0.00000 65.00000 HSE1_1SEM-1_13.PDB 6.43000 -42.26000 -13.39000 -72.05000 -4.48000 90.19000 -92.79000 12.76000 37.15000 91.52000 0.00000 0.00000 0.00000 5.48000 16.89000 0.00000 -2.99000 0.00000 -2.69000 0.00000 0.00000 65.00000 HSE1_1SEM-1_14.PDB 6.64000 -41.60000 -12.63000 -72.96000 -4.72000 90.33000 -94.23000 15.25000 36.69000 90.15000 0.00000 0.00000 0.00000 5.51000 17.40000 0.00000 -2.41000 0.00000 -2.74000 0.00000 0.00000 65.00000 HSE1_1SEM-1_15.PDB 6.13000 -42.24000 -13.98000 -72.10000 -4.72000 90.85000 -92.47000 12.61000 37.01000 91.71000 0.00000 0.00000 0.00000 5.43000 16.84000 0.00000 -3.10000 0.00000 -2.86000 0.00000 0.00000 65.00000 HSE1_1SEM-1_16.PDB 7.21000 -42.25000 -13.94000 -71.39000 -4.74000 90.32000 -91.85000 12.57000 37.41000 90.62000 0.00000 0.00000 0.00000 5.50000 16.85000 0.00000 -2.23000 0.00000 -2.81000 0.00000 0.00000 65.00000 HSE1_1SEM-1_17.PDB 7.01000 -39.69000 -11.79000 -69.89000 -4.16000 86.17000 -91.78000 12.79000 35.82000 89.61000 0.00000 0.00000 0.00000 5.14000 16.77000 0.00000 -2.70000 0.00000 -2.53000 0.00000 0.00000 65.00000 HSE1_1SEM-1_18.PDB 3.17000 -43.10000 -13.63000 -71.26000 -4.79000 88.48000 -92.37000 12.21000 37.72000 90.64000 0.00000 0.00000 0.00000 5.40000 16.82000 0.00000 -3.29000 0.00000 -2.84000 0.00000 0.00000 65.00000 HSE1_1SEM-1_19.PDB 6.29000 -41.89000 -12.85000 -72.37000 -4.60000 89.55000 -93.80000 15.13000 37.34000 90.07000 0.00000 0.00000 0.00000 5.25000 17.40000 0.00000 -2.63000 0.00000 -2.89000 0.00000 0.00000 65.00000 HSE1_1SEM-1_20.PDB 6.86000 -42.62000 -15.21000 -72.41000 -4.71000 91.35000 -92.84000 13.14000 38.29000 91.72000 0.00000 0.00000 0.00000 5.62000 16.93000 0.00000 -2.83000 0.00000 -2.65000 0.00000 0.00000 65.00000 HSE1_1SEM-1_21.PDB 6.21000 -42.07000 -13.71000 -71.79000 -4.69000 89.61000 -92.84000 12.87000 37.18000 91.51000 0.00000 0.00000 0.00000 5.55000 16.96000 0.00000 -2.89000 0.00000 -2.52000 0.00000 0.00000 65.00000 HSE1_1SEM-1_22.PDB 5.24000 -42.79000 -12.13000 -71.90000 -5.50000 90.75000 -92.91000 12.63000 37.88000 89.83000 0.00000 0.00000 0.00000 5.14000 16.92000 0.00000 -2.68000 0.00000 -3.08000 0.00000 0.00000 65.00000 HSE1_1SEM-1_23.PDB 3.92000 -40.77000 -12.92000 -70.37000 -4.34000 86.52000 -91.88000 12.28000 35.96000 89.48000 0.00000 0.00000 0.00000 5.07000 16.92000 0.00000 -3.15000 0.00000 -1.97000 0.00000 0.00000 65.00000 HSE1_1SEM-1_24.PDB 7.60000 -42.00000 -13.17000 -71.66000 -4.63000 89.88000 -92.45000 12.97000 36.47000 91.62000 0.00000 0.00000 0.00000 5.54000 16.82000 0.00000 -2.19000 0.00000 -2.77000 0.00000 0.00000 65.00000 HSE1_1SEM-1_25.PDB 3.17000 -42.64000 -11.86000 -70.60000 -4.36000 86.98000 -92.00000 12.13000 36.38000 90.06000 0.00000 0.00000 0.00000 5.30000 16.68000 0.00000 -3.48000 0.00000 -2.75000 0.00000 0.00000 65.00000 HSE1_1SEM-1_26.PDB 6.08000 -40.37000 -12.27000 -71.05000 -4.04000 88.05000 -92.46000 12.93000 35.36000 89.80000 0.00000 0.00000 0.00000 4.91000 16.74000 0.00000 -2.53000 0.00000 -2.25000 0.00000 0.00000 65.00000 HSE1_1SEM-1_27.PDB 5.81000 -42.69000 -13.07000 -71.87000 -4.76000 89.43000 -93.08000 15.31000 37.45000 90.53000 0.00000 0.00000 0.00000 4.04000 16.97000 0.00000 -2.79000 0.00000 -2.71000 0.00000 0.00000 65.00000 HSE1_1SEM-1_28.PDB 2.85000 -41.23000 -12.46000 -72.86000 -4.75000 89.73000 -94.23000 9.30000 38.59000 90.13000 0.00000 0.00000 0.00000 6.75000 16.87000 0.00000 -3.05000 0.00000 -3.08000 0.00000 0.00000 65.00000 HSE1_1SEM-1_29.PDB 5.22000 -41.62000 -12.64000 -71.44000 -4.77000 89.04000 -92.80000 12.43000 36.82000 90.34000 0.00000 0.00000 0.00000 5.11000 16.94000 0.00000 -2.38000 0.00000 -2.86000 0.00000 0.00000 65.00000 HSE1_1SEM-1_30.PDB 5.25000 -42.00000 -12.52000 -71.33000 -4.37000 88.88000 -92.39000 12.15000 37.01000 89.90000 0.00000 0.00000 0.00000 5.21000 16.80000 0.00000 -2.45000 0.00000 -2.83000 0.00000 0.00000 65.00000