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-2_1.PDB 7.49000 -38.87000 -10.48000 -70.34000 -3.85000 84.78000 -92.26000 16.48000 35.82000 86.68000 0.00000 0.00000 0.00000 4.83000 16.93000 0.00000 -2.68000 0.00000 -2.62000 0.00000 0.00000 65.00000 HSE1_1SEM-2_2.PDB 7.21000 -38.20000 -10.32000 -70.42000 -4.49000 84.64000 -92.24000 15.84000 35.55000 87.98000 0.00000 0.00000 0.00000 4.90000 16.89000 0.00000 -2.96000 0.00000 -3.06000 0.00000 0.00000 65.00000 HSE1_1SEM-2_3.PDB 7.54000 -38.81000 -10.05000 -70.10000 -3.54000 84.11000 -92.28000 16.28000 35.44000 86.56000 0.00000 0.00000 0.00000 4.84000 16.84000 0.00000 -2.57000 0.00000 -2.34000 0.00000 0.00000 65.00000 HSE1_1SEM-2_4.PDB 6.79000 -39.61000 -10.85000 -71.35000 -4.24000 85.37000 -93.52000 16.76000 36.54000 88.03000 0.00000 0.00000 0.00000 5.24000 16.87000 0.00000 -2.94000 0.00000 -2.64000 0.00000 0.00000 65.00000 HSE1_1SEM-2_5.PDB 6.89000 -39.88000 -13.59000 -71.31000 -4.62000 87.24000 -92.96000 16.38000 38.31000 89.07000 0.00000 0.00000 0.00000 4.81000 17.10000 0.00000 -3.25000 0.00000 -3.29000 0.00000 0.00000 65.00000 HSE1_1SEM-2_6.PDB 6.08000 -37.98000 -10.38000 -70.25000 -4.77000 84.66000 -91.81000 15.57000 35.69000 86.51000 0.00000 0.00000 0.00000 4.97000 17.00000 0.00000 -2.84000 0.00000 -3.29000 0.00000 0.00000 65.00000 HSE1_1SEM-2_7.PDB 6.67000 -38.60000 -12.32000 -70.63000 -4.15000 84.44000 -92.88000 16.31000 37.23000 88.63000 0.00000 0.00000 0.00000 4.95000 16.80000 0.00000 -3.24000 0.00000 -3.07000 0.00000 0.00000 65.00000 HSE1_1SEM-2_8.PDB 7.85000 -39.65000 -11.69000 -71.00000 -4.13000 85.88000 -92.77000 15.66000 37.73000 89.04000 0.00000 0.00000 0.00000 4.89000 16.98000 0.00000 -3.01000 0.00000 -3.07000 0.00000 0.00000 65.00000 HSE1_1SEM-2_9.PDB 4.81000 -38.85000 -10.97000 -69.47000 -3.95000 84.37000 -90.77000 12.71000 35.39000 87.23000 0.00000 0.00000 0.00000 4.83000 16.95000 0.00000 -2.80000 0.00000 -2.90000 0.00000 0.00000 65.00000 HSE1_1SEM-2_10.PDB 8.87000 -39.51000 -11.34000 -70.44000 -4.02000 85.26000 -92.24000 16.14000 36.42000 88.11000 0.00000 0.00000 0.00000 5.88000 17.01000 0.00000 -2.70000 0.00000 -2.69000 0.00000 0.00000 65.00000 HSE1_1SEM-2_11.PDB 8.06000 -39.30000 -11.34000 -71.70000 -4.24000 86.57000 -93.46000 16.33000 38.04000 88.33000 0.00000 0.00000 0.00000 4.99000 16.95000 0.00000 -3.11000 0.00000 -3.06000 0.00000 0.00000 65.00000 HSE1_1SEM-2_12.PDB 6.94000 -38.02000 -10.01000 -70.40000 -4.65000 85.01000 -91.95000 15.68000 35.73000 86.34000 0.00000 0.00000 0.00000 4.68000 17.00000 0.00000 -2.60000 0.00000 -2.88000 0.00000 0.00000 65.00000 HSE1_1SEM-2_13.PDB 8.30000 -39.21000 -12.02000 -71.37000 -4.17000 86.06000 -93.25000 15.73000 38.16000 89.40000 0.00000 0.00000 0.00000 4.90000 17.01000 0.00000 -3.08000 0.00000 -2.83000 0.00000 0.00000 65.00000 HSE1_1SEM-2_14.PDB 7.00000 -38.92000 -10.17000 -70.59000 -3.90000 84.60000 -92.29000 15.64000 35.84000 87.50000 0.00000 0.00000 0.00000 4.95000 16.69000 0.00000 -2.95000 0.00000 -2.71000 0.00000 0.00000 65.00000 HSE1_1SEM-2_15.PDB 6.47000 -39.95000 -12.57000 -70.19000 -4.04000 85.65000 -91.51000 15.74000 36.99000 87.33000 0.00000 0.00000 0.00000 4.79000 16.88000 0.00000 -3.21000 0.00000 -2.55000 0.00000 0.00000 65.00000 HSE1_1SEM-2_16.PDB 7.96000 -38.71000 -11.22000 -70.55000 -4.12000 85.37000 -92.56000 16.17000 36.73000 87.61000 0.00000 0.00000 0.00000 4.86000 16.98000 0.00000 -2.69000 0.00000 -2.92000 0.00000 0.00000 65.00000 HSE1_1SEM-2_17.PDB 8.16000 -37.97000 -9.84000 -70.45000 -3.91000 84.23000 -92.49000 16.66000 35.67000 86.71000 0.00000 0.00000 0.00000 4.94000 16.92000 0.00000 -2.57000 0.00000 -2.82000 0.00000 0.00000 65.00000 HSE1_1SEM-2_18.PDB 7.63000 -39.82000 -11.72000 -71.96000 -3.87000 86.36000 -94.07000 16.57000 37.75000 89.46000 0.00000 0.00000 0.00000 4.88000 16.91000 0.00000 -3.20000 0.00000 -2.75000 0.00000 0.00000 65.00000 HSE1_1SEM-2_19.PDB 4.30000 -39.81000 -10.35000 -71.16000 -4.10000 86.18000 -92.71000 13.04000 36.49000 87.94000 0.00000 0.00000 0.00000 4.88000 16.93000 0.00000 -3.32000 0.00000 -2.79000 0.00000 0.00000 65.00000 HSE1_1SEM-2_20.PDB 6.64000 -38.80000 -10.42000 -69.66000 -3.89000 84.47000 -91.11000 12.76000 35.68000 87.80000 0.00000 0.00000 0.00000 5.16000 17.02000 0.00000 -2.57000 0.00000 -2.78000 0.00000 0.00000 65.00000 HSE1_1SEM-2_21.PDB 6.62000 -39.31000 -11.99000 -71.43000 -4.48000 86.68000 -92.96000 16.51000 38.28000 87.08000 0.00000 0.00000 0.00000 4.98000 17.09000 0.00000 -3.35000 0.00000 -3.40000 0.00000 0.00000 65.00000 HSE1_1SEM-2_22.PDB 7.34000 -38.02000 -9.55000 -69.53000 -3.75000 83.46000 -90.95000 15.27000 35.03000 85.83000 0.00000 0.00000 0.00000 4.60000 17.05000 0.00000 -2.44000 0.00000 -2.63000 0.00000 0.00000 65.00000 HSE1_1SEM-2_23.PDB 7.30000 -38.00000 -9.31000 -69.82000 -3.64000 83.14000 -91.96000 14.88000 34.71000 87.72000 0.00000 0.00000 0.00000 4.88000 16.73000 0.00000 -2.63000 0.00000 -2.66000 0.00000 0.00000 65.00000 HSE1_1SEM-2_24.PDB 5.87000 -39.53000 -12.33000 -71.24000 -4.39000 86.44000 -92.82000 16.10000 38.16000 87.03000 0.00000 0.00000 0.00000 4.79000 16.94000 0.00000 -3.37000 0.00000 -2.96000 0.00000 0.00000 65.00000 HSE1_1SEM-2_25.PDB 7.97000 -39.37000 -11.19000 -70.76000 -4.41000 86.36000 -92.17000 15.04000 37.47000 88.24000 0.00000 0.00000 0.00000 4.91000 16.97000 0.00000 -3.08000 0.00000 -3.07000 0.00000 0.00000 65.00000 HSE1_1SEM-2_26.PDB 4.92000 -40.23000 -10.79000 -70.27000 -3.86000 85.36000 -91.85000 12.39000 36.62000 88.86000 0.00000 0.00000 0.00000 4.78000 16.92000 0.00000 -3.17000 0.00000 -2.92000 0.00000 0.00000 65.00000 HSE1_1SEM-2_27.PDB 4.52000 -38.15000 -10.24000 -69.44000 -3.85000 82.95000 -91.20000 14.90000 34.56000 85.68000 0.00000 0.00000 0.00000 4.64000 16.78000 0.00000 -2.80000 0.00000 -2.52000 0.00000 0.00000 65.00000 HSE1_1SEM-2_28.PDB 4.78000 -40.99000 -13.66000 -70.66000 -3.99000 85.77000 -92.06000 15.20000 37.88000 88.80000 0.00000 0.00000 0.00000 5.04000 16.65000 0.00000 -3.46000 0.00000 -3.07000 0.00000 0.00000 65.00000 HSE1_1SEM-2_29.PDB 6.01000 -40.14000 -13.40000 -71.18000 -4.26000 86.40000 -92.63000 16.80000 38.41000 87.76000 0.00000 0.00000 0.00000 5.04000 16.79000 0.00000 -3.67000 0.00000 -3.12000 0.00000 0.00000 65.00000 HSE1_1SEM-2_30.PDB 7.82000 -38.12000 -9.93000 -70.03000 -4.62000 84.51000 -91.88000 15.49000 35.16000 87.97000 0.00000 0.00000 0.00000 4.90000 16.67000 0.00000 -2.61000 0.00000 -3.00000 0.00000 0.00000 65.00000