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-21_1.PDB 12.11000 -43.44000 -12.92000 -72.18000 -5.04000 91.72000 -92.09000 13.60000 38.57000 94.82000 0.00000 0.00000 0.00000 5.66000 24.69000 0.00000 -3.71000 0.00000 -2.90000 0.00000 0.00000 65.00000 HSE1_1SEM-21_2.PDB 12.95000 -44.47000 -10.99000 -71.63000 -3.63000 91.12000 -91.39000 12.11000 37.87000 94.81000 0.00000 0.00000 0.00000 4.08000 24.63000 0.00000 -2.87000 0.00000 -2.04000 0.00000 0.00000 65.00000 HSE1_1SEM-21_3.PDB 14.48000 -42.85000 -12.09000 -71.95000 -4.27000 90.66000 -92.36000 15.36000 37.91000 95.96000 0.00000 0.00000 0.00000 3.68000 24.80000 0.00000 -3.14000 0.00000 -2.44000 0.00000 0.00000 65.00000 HSE1_1SEM-21_4.PDB 16.75000 -42.34000 -9.82000 -71.09000 -4.66000 90.86000 -90.95000 14.60000 36.23000 95.68000 0.00000 0.00000 0.00000 3.58000 24.61000 0.00000 -2.87000 0.00000 -2.49000 0.00000 0.00000 65.00000 HSE1_1SEM-21_5.PDB 13.57000 -43.11000 -13.65000 -72.23000 -4.38000 91.79000 -92.36000 14.27000 38.62000 95.75000 0.00000 0.00000 0.00000 5.34000 24.92000 0.00000 -3.72000 0.00000 -2.77000 0.00000 0.00000 65.00000 HSE1_1SEM-21_6.PDB 15.17000 -42.24000 -11.42000 -71.53000 -4.07000 90.12000 -92.03000 15.44000 37.04000 95.73000 0.00000 0.00000 0.00000 3.78000 24.68000 0.00000 -3.16000 0.00000 -2.51000 0.00000 0.00000 65.00000 HSE1_1SEM-21_7.PDB 10.18000 -45.34000 -13.59000 -73.06000 -4.29000 92.77000 -93.11000 13.05000 39.49000 96.53000 0.00000 0.00000 0.00000 3.94000 25.03000 0.00000 -3.76000 0.00000 -2.45000 0.00000 0.00000 65.00000 HSE1_1SEM-21_8.PDB 12.89000 -42.44000 -13.07000 -71.12000 -4.84000 90.94000 -91.25000 13.05000 38.04000 95.22000 0.00000 0.00000 0.00000 3.79000 24.46000 0.00000 -2.79000 0.00000 -2.64000 0.00000 0.00000 65.00000 HSE1_1SEM-21_9.PDB 13.40000 -43.04000 -12.20000 -71.40000 -4.50000 91.00000 -91.54000 12.51000 38.35000 95.88000 0.00000 0.00000 0.00000 3.81000 24.20000 0.00000 -2.85000 0.00000 -2.63000 0.00000 0.00000 65.00000 HSE1_1SEM-21_10.PDB 12.14000 -42.97000 -13.35000 -72.25000 -4.59000 91.97000 -92.61000 12.59000 39.29000 96.15000 0.00000 0.00000 0.00000 3.74000 24.67000 0.00000 -3.19000 0.00000 -2.65000 0.00000 0.00000 65.00000 HSE1_1SEM-21_11.PDB 13.93000 -43.97000 -14.50000 -72.57000 -4.13000 92.36000 -92.87000 14.75000 38.89000 96.75000 0.00000 0.00000 0.00000 5.27000 25.04000 0.00000 -3.35000 0.00000 -2.71000 0.00000 0.00000 65.00000 HSE1_1SEM-21_12.PDB 14.44000 -43.43000 -13.91000 -72.50000 -4.79000 92.40000 -92.28000 14.46000 39.26000 95.90000 0.00000 0.00000 0.00000 5.48000 24.67000 0.00000 -3.68000 0.00000 -2.46000 0.00000 0.00000 65.00000 HSE1_1SEM-21_13.PDB 15.42000 -44.60000 -11.50000 -70.96000 -3.75000 91.69000 -90.21000 11.50000 37.39000 96.19000 0.00000 0.00000 0.00000 4.42000 24.41000 0.00000 -2.70000 0.00000 -2.05000 0.00000 0.00000 65.00000 HSE1_1SEM-21_14.PDB 11.83000 -43.89000 -14.46000 -70.86000 -4.59000 89.83000 -90.92000 14.33000 39.33000 94.51000 0.00000 0.00000 0.00000 4.45000 24.10000 0.00000 -3.20000 0.00000 -2.70000 0.00000 0.00000 65.00000 HSE1_1SEM-21_15.PDB 15.74000 -44.39000 -14.41000 -72.99000 -4.39000 93.31000 -92.41000 18.15000 39.11000 96.73000 0.00000 0.00000 0.00000 3.59000 24.93000 0.00000 -4.04000 0.00000 -2.53000 0.00000 0.00000 65.00000 HSE1_1SEM-21_16.PDB 12.60000 -42.34000 -11.45000 -71.10000 -3.83000 89.87000 -91.41000 13.40000 36.93000 94.68000 0.00000 0.00000 0.00000 3.68000 24.39000 0.00000 -3.41000 0.00000 -2.42000 0.00000 0.00000 65.00000 HSE1_1SEM-21_17.PDB 16.38000 -43.75000 -13.94000 -71.92000 -4.66000 92.46000 -91.49000 14.24000 39.53000 97.63000 0.00000 0.00000 0.00000 4.18000 24.66000 0.00000 -3.16000 0.00000 -2.75000 0.00000 0.00000 65.00000 HSE1_1SEM-21_18.PDB 13.31000 -44.51000 -15.00000 -73.38000 -4.10000 93.25000 -93.39000 13.78000 39.98000 96.85000 0.00000 0.00000 0.00000 5.42000 25.31000 0.00000 -3.23000 0.00000 -2.36000 0.00000 0.00000 65.00000 HSE1_1SEM-21_19.PDB 18.58000 -42.39000 -11.82000 -71.46000 -4.40000 91.63000 -91.10000 14.33000 38.39000 97.36000 0.00000 0.00000 0.00000 3.87000 24.53000 0.00000 -3.03000 0.00000 -2.80000 0.00000 0.00000 65.00000 HSE1_1SEM-21_20.PDB 12.95000 -43.81000 -10.38000 -71.15000 -3.86000 90.87000 -90.66000 11.19000 37.56000 95.28000 0.00000 0.00000 0.00000 3.45000 24.32000 0.00000 -3.55000 0.00000 -1.98000 0.00000 0.00000 65.00000 HSE1_1SEM-21_21.PDB 15.07000 -43.71000 -12.38000 -72.29000 -5.36000 92.91000 -91.37000 14.49000 38.70000 96.03000 0.00000 0.00000 0.00000 3.71000 24.35000 0.00000 -3.07000 0.00000 -2.59000 0.00000 0.00000 65.00000 HSE1_1SEM-21_22.PDB 13.98000 -43.17000 -14.90000 -71.67000 -4.93000 91.64000 -91.54000 14.24000 39.54000 96.99000 0.00000 0.00000 0.00000 3.86000 24.37000 0.00000 -3.21000 0.00000 -2.85000 0.00000 0.00000 65.00000 HSE1_1SEM-21_23.PDB 12.89000 -45.62000 -14.23000 -73.54000 -4.35000 93.21000 -93.80000 14.66000 40.28000 97.92000 0.00000 0.00000 0.00000 3.97000 25.18000 0.00000 -3.15000 0.00000 -2.47000 0.00000 0.00000 65.00000 HSE1_1SEM-21_24.PDB 17.55000 -42.20000 -12.38000 -71.64000 -4.45000 91.83000 -91.41000 14.24000 38.07000 97.22000 0.00000 0.00000 0.00000 4.01000 24.45000 0.00000 -3.01000 0.00000 -2.73000 0.00000 0.00000 65.00000 HSE1_1SEM-21_25.PDB 13.01000 -44.80000 -13.06000 -72.73000 -4.42000 93.51000 -92.23000 12.45000 39.55000 96.93000 0.00000 0.00000 0.00000 3.84000 24.74000 0.00000 -3.60000 0.00000 -2.42000 0.00000 0.00000 65.00000 HSE1_1SEM-21_26.PDB 12.56000 -43.82000 -13.69000 -72.31000 -4.65000 92.81000 -92.06000 11.89000 38.94000 96.85000 0.00000 0.00000 0.00000 4.60000 24.67000 0.00000 -3.59000 0.00000 -2.41000 0.00000 0.00000 65.00000 HSE1_1SEM-21_27.PDB 13.88000 -43.67000 -14.91000 -72.36000 -5.42000 93.29000 -92.10000 13.93000 39.26000 97.25000 0.00000 0.00000 0.00000 4.59000 24.76000 0.00000 -3.08000 0.00000 -2.90000 0.00000 0.00000 65.00000 HSE1_1SEM-21_28.PDB 14.69000 -43.67000 -14.47000 -72.40000 -4.40000 92.34000 -92.39000 13.33000 39.18000 97.04000 0.00000 0.00000 0.00000 5.53000 24.84000 0.00000 -3.02000 0.00000 -2.40000 0.00000 0.00000 65.00000 HSE1_1SEM-21_29.PDB 14.40000 -43.63000 -12.34000 -73.49000 -4.23000 92.43000 -93.98000 15.43000 40.24000 97.02000 0.00000 0.00000 0.00000 3.74000 25.14000 0.00000 -4.13000 0.00000 -2.65000 0.00000 0.00000 65.00000 HSE1_1SEM-21_30.PDB 15.60000 -43.28000 -12.66000 -71.32000 -4.37000 91.11000 -91.23000 14.18000 38.44000 96.78000 0.00000 0.00000 0.00000 3.83000 24.29000 0.00000 -3.12000 0.00000 -2.76000 0.00000 0.00000 65.00000