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-12_1.PDB 4.00000 -39.74000 -11.21000 -65.76000 -4.27000 81.72000 -85.24000 9.42000 33.63000 85.90000 0.00000 0.00000 0.00000 3.72000 17.25000 0.00000 -2.26000 0.00000 -1.92000 0.00000 0.00000 63.00000 HSE1_1SEM-12_2.PDB 4.01000 -38.77000 -9.90000 -65.42000 -4.36000 80.63000 -85.42000 9.55000 32.92000 85.61000 0.00000 0.00000 0.00000 3.68000 17.10000 0.00000 -2.53000 0.00000 -1.99000 0.00000 0.00000 63.00000 HSE1_1SEM-12_3.PDB 5.14000 -39.49000 -10.58000 -65.40000 -3.97000 81.43000 -84.80000 9.85000 33.24000 86.41000 0.00000 0.00000 0.00000 3.49000 17.34000 0.00000 -3.10000 0.00000 -1.93000 0.00000 0.00000 63.00000 HSE1_1SEM-12_4.PDB 3.89000 -38.92000 -10.05000 -64.93000 -3.58000 79.82000 -84.60000 9.31000 32.36000 85.02000 0.00000 0.00000 0.00000 3.22000 17.06000 0.00000 -2.48000 0.00000 -1.28000 0.00000 0.00000 63.00000 HSE1_1SEM-12_5.PDB 3.78000 -39.99000 -11.09000 -65.74000 -3.80000 81.09000 -85.36000 9.61000 33.51000 86.06000 0.00000 0.00000 0.00000 3.53000 17.25000 0.00000 -2.46000 0.00000 -1.59000 0.00000 0.00000 63.00000 HSE1_1SEM-12_6.PDB 3.26000 -38.62000 -9.77000 -65.58000 -3.92000 80.52000 -85.78000 9.78000 32.54000 84.52000 0.00000 0.00000 0.00000 3.42000 17.08000 0.00000 -2.19000 0.00000 -1.66000 0.00000 0.00000 63.00000 HSE1_1SEM-12_7.PDB 4.06000 -38.31000 -9.41000 -65.95000 -4.48000 80.37000 -86.20000 10.02000 33.24000 85.45000 0.00000 0.00000 0.00000 3.90000 16.76000 0.00000 -2.44000 0.00000 -2.13000 0.00000 0.00000 63.00000 HSE1_1SEM-12_8.PDB 4.33000 -39.93000 -11.27000 -65.54000 -4.48000 82.18000 -84.88000 9.66000 33.40000 86.49000 0.00000 0.00000 0.00000 3.27000 17.33000 0.00000 -2.50000 0.00000 -2.07000 0.00000 0.00000 63.00000 HSE1_1SEM-12_9.PDB 4.27000 -38.16000 -9.62000 -65.82000 -4.42000 80.89000 -85.75000 8.67000 33.38000 85.79000 0.00000 0.00000 0.00000 3.67000 17.21000 0.00000 -2.26000 0.00000 -2.09000 0.00000 0.00000 63.00000 HSE1_1SEM-12_10.PDB 2.52000 -39.54000 -10.73000 -66.14000 -4.35000 81.31000 -85.92000 7.75000 34.28000 85.48000 0.00000 0.00000 0.00000 4.65000 16.79000 0.00000 -2.38000 0.00000 -1.88000 0.00000 0.00000 63.00000 HSE1_1SEM-12_11.PDB 1.46000 -39.67000 -10.84000 -66.98000 -4.48000 82.03000 -86.87000 8.11000 34.54000 86.47000 0.00000 0.00000 0.00000 4.19000 17.41000 0.00000 -2.92000 0.00000 -2.11000 0.00000 0.00000 63.00000 HSE1_1SEM-12_12.PDB 1.86000 -39.56000 -10.70000 -66.69000 -4.11000 81.29000 -86.89000 8.12000 34.52000 86.35000 0.00000 0.00000 0.00000 4.03000 16.94000 0.00000 -2.77000 0.00000 -1.73000 0.00000 0.00000 63.00000 HSE1_1SEM-12_13.PDB 1.72000 -39.03000 -10.16000 -66.37000 -4.09000 80.59000 -86.64000 8.09000 33.90000 85.51000 0.00000 0.00000 0.00000 4.21000 16.72000 0.00000 -2.41000 0.00000 -1.88000 0.00000 0.00000 63.00000 HSE1_1SEM-12_14.PDB 2.15000 -39.95000 -11.14000 -65.84000 -3.97000 80.37000 -85.78000 8.18000 33.96000 85.79000 0.00000 0.00000 0.00000 4.39000 16.74000 0.00000 -2.33000 0.00000 -1.54000 0.00000 0.00000 63.00000 HSE1_1SEM-12_15.PDB 0.51000 -39.01000 -10.13000 -66.53000 -4.26000 81.07000 -86.50000 8.23000 33.50000 85.54000 0.00000 0.00000 0.00000 3.45000 17.26000 0.00000 -2.85000 0.00000 -1.99000 0.00000 0.00000 63.00000 HSE1_1SEM-12_16.PDB 0.84000 -39.88000 -11.08000 -66.32000 -4.22000 81.46000 -86.46000 7.95000 34.03000 85.19000 0.00000 0.00000 0.00000 4.50000 16.80000 0.00000 -2.58000 0.00000 -1.75000 0.00000 0.00000 63.00000 HSE1_1SEM-12_17.PDB 3.37000 -39.12000 -10.36000 -66.23000 -4.68000 81.95000 -85.97000 9.59000 33.00000 85.54000 0.00000 0.00000 0.00000 4.26000 17.31000 0.00000 -2.57000 0.00000 -2.04000 0.00000 0.00000 63.00000 HSE1_1SEM-12_18.PDB 4.95000 -40.52000 -13.69000 -65.29000 -3.90000 82.73000 -84.07000 9.70000 33.72000 86.39000 0.00000 0.00000 0.00000 3.51000 17.31000 0.00000 -1.97000 0.00000 -1.65000 0.00000 0.00000 63.00000 HSE1_1SEM-12_19.PDB 1.63000 -39.54000 -10.68000 -65.86000 -4.54000 81.81000 -85.42000 8.26000 33.55000 85.31000 0.00000 0.00000 0.00000 3.43000 17.13000 0.00000 -2.57000 0.00000 -2.12000 0.00000 0.00000 63.00000 HSE1_1SEM-12_20.PDB 1.24000 -39.96000 -11.09000 -65.99000 -3.97000 80.71000 -85.75000 7.99000 34.09000 86.72000 0.00000 0.00000 0.00000 3.81000 17.18000 0.00000 -3.42000 0.00000 -1.88000 0.00000 0.00000 63.00000 HSE1_1SEM-12_21.PDB 4.90000 -39.57000 -10.70000 -65.62000 -4.09000 81.78000 -84.92000 9.73000 33.42000 86.11000 0.00000 0.00000 0.00000 3.43000 17.40000 0.00000 -2.60000 0.00000 -2.07000 0.00000 0.00000 63.00000 HSE1_1SEM-12_22.PDB 3.29000 -39.40000 -12.09000 -65.97000 -4.24000 81.76000 -85.52000 9.48000 34.13000 85.83000 0.00000 0.00000 0.00000 3.71000 17.23000 0.00000 -2.35000 0.00000 -2.05000 0.00000 0.00000 63.00000 HSE1_1SEM-12_23.PDB 4.56000 -39.82000 -10.94000 -65.77000 -3.70000 80.56000 -85.77000 9.27000 33.67000 86.69000 0.00000 0.00000 0.00000 4.33000 16.87000 0.00000 -2.31000 0.00000 -1.66000 0.00000 0.00000 63.00000 HSE1_1SEM-12_24.PDB 4.44000 -39.68000 -12.40000 -65.96000 -4.13000 82.61000 -85.07000 9.49000 33.84000 86.23000 0.00000 0.00000 0.00000 3.96000 17.32000 0.00000 -2.39000 0.00000 -2.07000 0.00000 0.00000 63.00000 HSE1_1SEM-12_25.PDB 3.28000 -39.06000 -10.20000 -65.59000 -4.00000 80.39000 -85.56000 9.43000 32.90000 84.66000 0.00000 0.00000 0.00000 4.12000 16.66000 0.00000 -2.27000 0.00000 -1.54000 0.00000 0.00000 63.00000 HSE1_1SEM-12_26.PDB 3.84000 -39.76000 -15.11000 -64.42000 -3.72000 81.92000 -83.25000 9.41000 33.82000 85.46000 0.00000 0.00000 0.00000 3.18000 16.80000 0.00000 -2.12000 0.00000 -1.58000 0.00000 0.00000 63.00000 HSE1_1SEM-12_27.PDB 5.21000 -39.52000 -11.07000 -64.84000 -3.89000 80.82000 -84.09000 9.69000 32.96000 85.92000 0.00000 0.00000 0.00000 3.18000 17.25000 0.00000 -2.34000 0.00000 -1.61000 0.00000 0.00000 63.00000 HSE1_1SEM-12_28.PDB 4.51000 -40.83000 -13.63000 -65.63000 -4.31000 82.14000 -85.07000 10.39000 34.20000 86.63000 0.00000 0.00000 0.00000 4.21000 16.83000 0.00000 -1.77000 0.00000 -1.82000 0.00000 0.00000 63.00000 HSE1_1SEM-12_29.PDB 2.79000 -39.82000 -11.06000 -66.31000 -4.63000 82.91000 -86.10000 9.40000 33.63000 85.19000 0.00000 0.00000 0.00000 4.13000 17.24000 0.00000 -2.63000 0.00000 -1.93000 0.00000 0.00000 63.00000 HSE1_1SEM-12_30.PDB 2.14000 -38.94000 -10.10000 -65.97000 -4.68000 80.77000 -86.11000 9.50000 33.15000 85.17000 0.00000 0.00000 0.00000 3.85000 16.86000 0.00000 -2.46000 0.00000 -2.03000 0.00000 0.00000 63.00000