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-16_1.PDB 14.71000 -41.19000 -12.15000 -69.71000 -4.93000 87.10000 -90.76000 16.37000 38.30000 91.02000 0.00000 0.00000 0.00000 6.01000 16.21000 0.00000 -2.83000 0.00000 -2.52000 0.00000 0.00000 64.00000 HSE1_1SEM-16_2.PDB 14.83000 -41.14000 -11.59000 -69.83000 -4.67000 87.20000 -90.72000 14.37000 38.37000 90.82000 0.00000 0.00000 0.00000 7.96000 16.32000 0.00000 -3.23000 0.00000 -2.69000 0.00000 0.00000 64.00000 HSE1_1SEM-16_3.PDB 15.71000 -40.30000 -12.01000 -69.70000 -5.09000 86.99000 -90.91000 16.49000 37.88000 90.53000 0.00000 0.00000 0.00000 6.72000 16.31000 0.00000 -2.36000 0.00000 -2.52000 0.00000 0.00000 64.00000 HSE1_1SEM-16_4.PDB 15.62000 -39.81000 -10.79000 -69.55000 -4.84000 87.56000 -90.57000 14.21000 37.94000 90.85000 0.00000 0.00000 0.00000 5.69000 16.47000 0.00000 -2.51000 0.00000 -2.56000 0.00000 0.00000 64.00000 HSE1_1SEM-16_5.PDB 14.60000 -40.59000 -11.70000 -69.51000 -5.00000 87.20000 -90.09000 13.99000 39.02000 91.04000 0.00000 0.00000 0.00000 5.40000 16.41000 0.00000 -2.41000 0.00000 -2.76000 0.00000 0.00000 64.00000 HSE1_1SEM-16_6.PDB 14.16000 -39.69000 -11.34000 -69.71000 -5.20000 87.00000 -91.08000 15.51000 37.73000 90.11000 0.00000 0.00000 0.00000 5.88000 16.26000 0.00000 -2.40000 0.00000 -2.65000 0.00000 0.00000 64.00000 HSE1_1SEM-16_7.PDB 17.19000 -38.81000 -9.00000 -68.55000 -3.48000 83.52000 -90.33000 14.14000 36.24000 91.32000 0.00000 0.00000 0.00000 5.96000 16.07000 0.00000 -2.16000 0.00000 -1.66000 0.00000 0.00000 64.00000 HSE1_1SEM-16_8.PDB 13.25000 -39.66000 -10.62000 -68.74000 -3.97000 85.98000 -89.56000 11.47000 37.44000 90.16000 0.00000 0.00000 0.00000 5.72000 16.41000 0.00000 -2.95000 0.00000 -2.03000 0.00000 0.00000 64.00000 HSE1_1SEM-16_9.PDB 16.07000 -39.71000 -9.93000 -69.92000 -4.76000 85.90000 -91.72000 14.93000 38.48000 91.31000 0.00000 0.00000 0.00000 6.38000 16.18000 0.00000 -2.47000 0.00000 -2.43000 0.00000 0.00000 64.00000 HSE1_1SEM-16_10.PDB 17.21000 -38.83000 -8.91000 -68.61000 -3.64000 84.29000 -89.88000 13.10000 36.38000 91.08000 0.00000 0.00000 0.00000 6.06000 16.21000 0.00000 -2.06000 0.00000 -1.77000 0.00000 0.00000 64.00000 HSE1_1SEM-16_11.PDB 16.59000 -38.83000 -9.81000 -68.43000 -3.93000 85.02000 -89.51000 12.74000 36.92000 91.70000 0.00000 0.00000 0.00000 5.09000 16.18000 0.00000 -2.26000 0.00000 -2.11000 0.00000 0.00000 64.00000 HSE1_1SEM-16_12.PDB 18.12000 -38.80000 -10.26000 -68.30000 -4.34000 85.66000 -89.23000 15.43000 37.43000 90.76000 0.00000 0.00000 0.00000 5.33000 16.19000 0.00000 -3.15000 0.00000 -2.40000 0.00000 0.00000 64.00000 HSE1_1SEM-16_13.PDB 13.25000 -39.70000 -10.44000 -69.30000 -5.44000 86.35000 -90.43000 15.16000 37.84000 89.64000 0.00000 0.00000 0.00000 4.71000 16.38000 0.00000 -2.41000 0.00000 -2.73000 0.00000 0.00000 64.00000 HSE1_1SEM-16_14.PDB 18.60000 -40.32000 -11.44000 -70.19000 -4.93000 87.77000 -91.21000 18.65000 38.21000 91.65000 0.00000 0.00000 0.00000 5.13000 16.37000 0.00000 -2.31000 0.00000 -2.41000 0.00000 0.00000 64.00000 HSE1_1SEM-16_15.PDB 18.58000 -38.82000 -9.70000 -68.90000 -4.30000 85.15000 -90.31000 14.34000 37.43000 91.35000 0.00000 0.00000 0.00000 6.69000 16.17000 0.00000 -2.21000 0.00000 -2.13000 0.00000 0.00000 64.00000 HSE1_1SEM-16_16.PDB 16.00000 -40.29000 -10.97000 -69.06000 -4.88000 85.97000 -90.16000 16.23000 37.88000 90.82000 0.00000 0.00000 0.00000 6.15000 16.09000 0.00000 -2.94000 0.00000 -2.75000 0.00000 0.00000 64.00000 HSE1_1SEM-16_17.PDB 15.87000 -38.87000 -10.00000 -69.08000 -4.12000 85.37000 -90.75000 15.45000 36.67000 90.68000 0.00000 0.00000 0.00000 4.53000 16.31000 0.00000 -2.04000 0.00000 -1.97000 0.00000 0.00000 64.00000 HSE1_1SEM-16_18.PDB 16.62000 -38.82000 -8.82000 -67.52000 -3.54000 83.49000 -88.72000 14.77000 35.72000 89.66000 0.00000 0.00000 0.00000 4.76000 16.04000 0.00000 -2.69000 0.00000 -1.68000 0.00000 0.00000 64.00000 HSE1_1SEM-16_19.PDB 15.55000 -40.40000 -10.23000 -69.12000 -4.93000 86.22000 -90.38000 14.37000 37.45000 90.63000 0.00000 0.00000 0.00000 6.68000 16.17000 0.00000 -2.20000 0.00000 -2.55000 0.00000 0.00000 64.00000 HSE1_1SEM-16_20.PDB 13.22000 -38.73000 -9.89000 -68.88000 -4.56000 86.33000 -90.15000 12.42000 36.81000 89.77000 0.00000 0.00000 0.00000 5.63000 16.23000 0.00000 -3.14000 0.00000 -2.39000 0.00000 0.00000 64.00000 HSE1_1SEM-16_21.PDB 9.37000 -41.26000 -12.50000 -69.08000 -5.42000 87.41000 -89.27000 11.11000 38.66000 90.09000 0.00000 0.00000 0.00000 5.44000 16.25000 0.00000 -2.75000 0.00000 -3.06000 0.00000 0.00000 64.00000 HSE1_1SEM-16_22.PDB 15.34000 -39.66000 -9.97000 -69.09000 -4.94000 85.18000 -90.45000 13.56000 37.91000 90.94000 0.00000 0.00000 0.00000 6.87000 16.14000 0.00000 -2.60000 0.00000 -2.40000 0.00000 0.00000 64.00000 HSE1_1SEM-16_23.PDB 16.75000 -39.66000 -10.07000 -69.20000 -4.52000 86.03000 -90.39000 15.54000 37.25000 91.94000 0.00000 0.00000 0.00000 4.93000 16.24000 0.00000 -2.87000 0.00000 -2.24000 0.00000 0.00000 64.00000 HSE1_1SEM-16_24.PDB 16.66000 -40.95000 -11.19000 -69.43000 -5.27000 87.11000 -90.37000 16.13000 38.05000 91.78000 0.00000 0.00000 0.00000 6.13000 16.35000 0.00000 -2.61000 0.00000 -2.72000 0.00000 0.00000 64.00000 HSE1_1SEM-16_25.PDB 15.79000 -40.57000 -9.28000 -69.67000 -4.55000 86.28000 -90.73000 13.54000 38.39000 91.80000 0.00000 0.00000 0.00000 5.45000 16.33000 0.00000 -2.50000 0.00000 -2.37000 0.00000 0.00000 64.00000 HSE1_1SEM-16_26.PDB 14.82000 -39.68000 -11.42000 -68.76000 -3.92000 84.60000 -89.96000 14.44000 38.16000 90.59000 0.00000 0.00000 0.00000 5.05000 16.40000 0.00000 -2.36000 0.00000 -1.94000 0.00000 0.00000 64.00000 HSE1_1SEM-16_27.PDB 17.53000 -40.24000 -9.88000 -69.76000 -5.17000 87.08000 -90.69000 16.50000 37.81000 91.81000 0.00000 0.00000 0.00000 5.17000 16.35000 0.00000 -2.41000 0.00000 -2.70000 0.00000 0.00000 64.00000 HSE1_1SEM-16_28.PDB 13.21000 -40.99000 -11.41000 -69.22000 -4.48000 86.54000 -90.36000 12.54000 37.84000 91.38000 0.00000 0.00000 0.00000 5.87000 16.12000 0.00000 -2.31000 0.00000 -2.20000 0.00000 0.00000 64.00000 HSE1_1SEM-16_29.PDB 12.87000 -41.57000 -11.42000 -69.99000 -5.40000 87.72000 -91.05000 13.80000 38.72000 91.23000 0.00000 0.00000 0.00000 6.03000 16.01000 0.00000 -2.53000 0.00000 -2.66000 0.00000 0.00000 64.00000 HSE1_1SEM-16_30.PDB 16.67000 -38.79000 -10.64000 -68.45000 -4.15000 84.49000 -89.89000 16.31000 37.11000 90.10000 0.00000 0.00000 0.00000 4.85000 16.26000 0.00000 -2.18000 0.00000 -2.08000 0.00000 0.00000 64.00000