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-20_1.PDB 4.36000 -39.31000 -16.93000 -71.45000 -5.38000 88.94000 -91.53000 8.43000 41.87000 90.77000 0.00000 0.00000 0.00000 4.89000 15.91000 0.00000 -3.14000 0.00000 -2.80000 0.00000 0.00000 64.00000 HSE1_1SEM-20_2.PDB 3.98000 -41.31000 -17.55000 -72.95000 -4.95000 92.49000 -92.14000 9.31000 41.41000 89.93000 0.00000 0.00000 0.00000 5.16000 16.25000 0.00000 -2.60000 0.00000 -2.82000 0.00000 0.00000 64.00000 HSE1_1SEM-20_3.PDB 4.37000 -41.00000 -16.40000 -71.65000 -4.74000 90.33000 -91.24000 8.68000 40.37000 90.60000 0.00000 0.00000 0.00000 4.71000 16.15000 0.00000 -3.15000 0.00000 -2.15000 0.00000 0.00000 64.00000 HSE1_1SEM-20_4.PDB 2.47000 -40.49000 -19.74000 -71.38000 -5.59000 90.73000 -90.62000 8.37000 42.26000 90.38000 0.00000 0.00000 0.00000 4.29000 15.96000 0.00000 -2.99000 0.00000 -2.76000 0.00000 0.00000 64.00000 HSE1_1SEM-20_5.PDB 4.31000 -40.78000 -16.29000 -72.49000 -4.91000 91.64000 -91.87000 8.22000 40.49000 90.74000 0.00000 0.00000 0.00000 5.10000 16.23000 0.00000 -3.04000 0.00000 -2.50000 0.00000 0.00000 64.00000 HSE1_1SEM-20_6.PDB 3.37000 -40.95000 -16.94000 -72.23000 -5.04000 91.47000 -91.52000 9.42000 40.28000 90.15000 0.00000 0.00000 0.00000 4.64000 16.23000 0.00000 -3.33000 0.00000 -2.58000 0.00000 0.00000 64.00000 HSE1_1SEM-20_7.PDB 4.46000 -40.80000 -15.82000 -71.83000 -4.44000 90.24000 -91.32000 8.84000 40.08000 90.88000 0.00000 0.00000 0.00000 4.24000 16.14000 0.00000 -3.38000 0.00000 -2.23000 0.00000 0.00000 64.00000 HSE1_1SEM-20_8.PDB 3.15000 -40.43000 -17.76000 -70.71000 -4.38000 88.91000 -90.05000 8.50000 39.92000 90.45000 0.00000 0.00000 0.00000 4.30000 15.81000 0.00000 -3.10000 0.00000 -2.50000 0.00000 0.00000 64.00000 HSE1_1SEM-20_9.PDB 3.01000 -41.45000 -19.18000 -71.44000 -5.19000 90.47000 -90.40000 10.05000 41.02000 90.46000 0.00000 0.00000 0.00000 4.56000 15.90000 0.00000 -2.78000 0.00000 -3.10000 0.00000 0.00000 64.00000 HSE1_1SEM-20_10.PDB 4.13000 -40.70000 -17.52000 -71.11000 -4.24000 90.04000 -90.26000 9.47000 39.58000 89.73000 0.00000 0.00000 0.00000 4.49000 15.89000 0.00000 -3.10000 0.00000 -2.26000 0.00000 0.00000 64.00000 HSE1_1SEM-20_11.PDB 4.02000 -39.94000 -18.48000 -72.91000 -5.07000 93.09000 -91.98000 8.47000 41.66000 90.16000 0.00000 0.00000 0.00000 4.88000 16.34000 0.00000 -2.86000 0.00000 -3.00000 0.00000 0.00000 64.00000 HSE1_1SEM-20_12.PDB 3.98000 -40.97000 -17.36000 -71.90000 -4.60000 91.49000 -91.50000 8.41000 40.23000 90.43000 0.00000 0.00000 0.00000 4.62000 16.13000 0.00000 -2.70000 0.00000 -2.18000 0.00000 0.00000 64.00000 HSE1_1SEM-20_13.PDB 1.95000 -41.59000 -19.93000 -71.79000 -4.81000 91.99000 -91.08000 8.53000 40.92000 90.69000 0.00000 0.00000 0.00000 4.27000 16.12000 0.00000 -2.65000 0.00000 -2.59000 0.00000 0.00000 64.00000 HSE1_1SEM-20_14.PDB 4.40000 -41.71000 -17.07000 -72.65000 -4.70000 92.13000 -92.33000 8.71000 39.90000 91.23000 0.00000 0.00000 0.00000 5.51000 16.14000 0.00000 -2.73000 0.00000 -1.89000 0.00000 0.00000 64.00000 HSE1_1SEM-20_15.PDB 3.07000 -40.16000 -16.44000 -71.21000 -5.59000 89.78000 -90.75000 8.26000 40.06000 90.00000 0.00000 0.00000 0.00000 4.64000 15.85000 0.00000 -3.18000 0.00000 -2.33000 0.00000 0.00000 64.00000 HSE1_1SEM-20_16.PDB 4.43000 -40.06000 -15.20000 -71.08000 -5.53000 89.40000 -90.82000 8.71000 39.54000 90.92000 0.00000 0.00000 0.00000 4.52000 15.76000 0.00000 -3.35000 0.00000 -2.62000 0.00000 0.00000 64.00000 HSE1_1SEM-20_17.PDB 3.54000 -39.92000 -16.19000 -71.95000 -4.37000 90.40000 -91.34000 8.15000 40.21000 89.17000 0.00000 0.00000 0.00000 4.51000 16.10000 0.00000 -2.70000 0.00000 -2.44000 0.00000 0.00000 64.00000 HSE1_1SEM-20_18.PDB 4.77000 -40.98000 -16.01000 -71.75000 -4.87000 91.20000 -90.95000 8.32000 39.81000 90.61000 0.00000 0.00000 0.00000 4.80000 16.06000 0.00000 -2.92000 0.00000 -2.49000 0.00000 0.00000 64.00000 HSE1_1SEM-20_19.PDB 2.43000 -38.52000 -17.12000 -71.40000 -6.11000 89.34000 -91.11000 8.77000 40.08000 90.15000 0.00000 0.00000 0.00000 4.58000 15.71000 0.00000 -3.42000 0.00000 -2.80000 0.00000 0.00000 64.00000 HSE1_1SEM-20_20.PDB 2.71000 -40.15000 -19.07000 -70.72000 -4.73000 89.19000 -90.84000 8.61000 39.91000 90.60000 0.00000 0.00000 0.00000 4.17000 15.72000 0.00000 -2.53000 0.00000 -1.71000 0.00000 0.00000 64.00000 HSE1_1SEM-20_21.PDB 3.68000 -40.92000 -14.81000 -71.18000 -5.36000 88.74000 -91.23000 8.42000 39.48000 90.88000 0.00000 0.00000 0.00000 4.34000 15.86000 0.00000 -2.81000 0.00000 -1.88000 0.00000 0.00000 64.00000 HSE1_1SEM-20_22.PDB 5.27000 -40.31000 -16.07000 -69.10000 -3.06000 86.41000 -88.48000 8.35000 38.52000 89.25000 0.00000 0.00000 0.00000 4.59000 15.73000 0.00000 -2.85000 0.00000 -1.98000 0.00000 0.00000 64.00000 HSE1_1SEM-20_23.PDB 3.77000 -41.93000 -15.65000 -71.84000 -4.97000 90.65000 -91.22000 8.31000 40.90000 91.02000 0.00000 0.00000 0.00000 4.46000 16.10000 0.00000 -3.58000 0.00000 -2.38000 0.00000 0.00000 64.00000 HSE1_1SEM-20_24.PDB 4.21000 -40.04000 -13.38000 -70.88000 -5.12000 88.58000 -90.40000 8.68000 38.72000 89.15000 0.00000 0.00000 0.00000 4.32000 16.10000 0.00000 -3.04000 0.00000 -2.39000 0.00000 0.00000 64.00000 HSE1_1SEM-20_25.PDB 3.57000 -40.89000 -15.36000 -71.48000 -5.80000 89.56000 -91.23000 8.92000 39.57000 91.24000 0.00000 0.00000 0.00000 4.45000 15.91000 0.00000 -2.90000 0.00000 -2.51000 0.00000 0.00000 64.00000 HSE1_1SEM-20_26.PDB 5.06000 -40.08000 -14.30000 -73.08000 -4.86000 91.84000 -92.68000 8.39000 40.53000 90.22000 0.00000 0.00000 0.00000 4.58000 16.18000 0.00000 -2.91000 0.00000 -2.59000 0.00000 0.00000 64.00000 HSE1_1SEM-20_27.PDB 4.64000 -40.29000 -17.07000 -70.64000 -4.17000 88.95000 -90.12000 8.68000 40.25000 90.12000 0.00000 0.00000 0.00000 4.16000 15.89000 0.00000 -3.02000 0.00000 -2.22000 0.00000 0.00000 64.00000 HSE1_1SEM-20_28.PDB 2.94000 -40.24000 -16.64000 -70.63000 -5.18000 88.34000 -90.71000 8.13000 39.99000 90.93000 0.00000 0.00000 0.00000 4.22000 15.76000 0.00000 -3.21000 0.00000 -2.04000 0.00000 0.00000 64.00000 HSE1_1SEM-20_29.PDB 2.80000 -41.54000 -17.65000 -72.88000 -4.57000 91.42000 -92.69000 8.80000 41.07000 91.54000 0.00000 0.00000 0.00000 4.23000 16.00000 0.00000 -3.31000 0.00000 -1.62000 0.00000 0.00000 64.00000 HSE1_1SEM-20_30.PDB 5.06000 -40.76000 -14.17000 -71.02000 -3.89000 88.91000 -90.83000 8.09000 39.24000 89.93000 0.00000 0.00000 0.00000 4.29000 16.05000 0.00000 -2.76000 0.00000 -1.94000 0.00000 0.00000 64.00000