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-23_1.PDB 1.62000 -38.67000 -12.48000 -64.06000 -3.02000 77.44000 -83.91000 8.68000 33.62000 84.08000 0.00000 0.00000 0.00000 3.73000 16.48000 0.00000 -2.08000 0.00000 -1.73000 0.00000 0.00000 62.00000 HSE1_1SEM-23_2.PDB 2.77000 -38.51000 -9.22000 -64.88000 -2.99000 77.25000 -85.20000 9.60000 32.82000 83.53000 0.00000 0.00000 0.00000 3.47000 16.47000 0.00000 -1.72000 0.00000 -1.37000 0.00000 0.00000 62.00000 HSE1_1SEM-23_3.PDB 3.18000 -37.39000 -10.52000 -63.76000 -3.09000 75.98000 -83.90000 8.68000 33.39000 83.59000 0.00000 0.00000 0.00000 3.43000 16.41000 0.00000 -1.66000 0.00000 -1.56000 0.00000 0.00000 62.00000 HSE1_1SEM-23_4.PDB 3.35000 -37.93000 -9.38000 -64.79000 -4.06000 78.08000 -84.85000 8.00000 33.41000 84.69000 0.00000 0.00000 0.00000 4.08000 16.36000 0.00000 -1.69000 0.00000 -2.21000 0.00000 0.00000 62.00000 HSE1_1SEM-23_5.PDB 1.17000 -40.43000 -13.82000 -65.42000 -4.59000 80.11000 -84.81000 9.53000 35.79000 85.41000 0.00000 0.00000 0.00000 3.66000 16.74000 0.00000 -1.94000 0.00000 -2.31000 0.00000 0.00000 62.00000 HSE1_1SEM-23_6.PDB 2.08000 -37.48000 -10.20000 -64.98000 -3.32000 77.24000 -85.26000 8.25000 34.76000 83.51000 0.00000 0.00000 0.00000 3.39000 16.42000 0.00000 -1.82000 0.00000 -2.02000 0.00000 0.00000 62.00000 HSE1_1SEM-23_7.PDB 2.93000 -39.24000 -12.68000 -63.81000 -4.35000 78.63000 -82.48000 9.34000 33.44000 84.55000 0.00000 0.00000 0.00000 3.92000 16.24000 0.00000 -2.24000 0.00000 -2.15000 0.00000 0.00000 62.00000 HSE1_1SEM-23_8.PDB 2.12000 -39.39000 -10.43000 -65.35000 -3.38000 78.07000 -85.48000 9.55000 34.40000 84.52000 0.00000 0.00000 0.00000 3.49000 16.68000 0.00000 -2.21000 0.00000 -1.68000 0.00000 0.00000 62.00000 HSE1_1SEM-23_9.PDB 2.10000 -38.52000 -10.44000 -64.60000 -4.41000 78.59000 -83.76000 8.85000 33.75000 83.70000 0.00000 0.00000 0.00000 3.87000 16.22000 0.00000 -2.51000 0.00000 -2.42000 0.00000 0.00000 62.00000 HSE1_1SEM-23_10.PDB 2.07000 -40.08000 -13.50000 -65.40000 -4.45000 80.19000 -84.85000 9.08000 35.41000 85.95000 0.00000 0.00000 0.00000 4.36000 16.81000 0.00000 -2.29000 0.00000 -2.34000 0.00000 0.00000 62.00000 HSE1_1SEM-23_11.PDB 3.47000 -37.34000 -8.83000 -63.99000 -2.89000 75.97000 -84.20000 8.42000 32.79000 83.73000 0.00000 0.00000 0.00000 3.43000 16.43000 0.00000 -1.96000 0.00000 -1.66000 0.00000 0.00000 62.00000 HSE1_1SEM-23_12.PDB 3.78000 -39.07000 -12.54000 -63.77000 -4.50000 78.80000 -82.49000 9.49000 33.54000 85.17000 0.00000 0.00000 0.00000 3.68000 16.21000 0.00000 -2.18000 0.00000 -2.34000 0.00000 0.00000 62.00000 HSE1_1SEM-23_13.PDB 3.02000 -40.58000 -11.97000 -65.67000 -3.79000 80.06000 -85.33000 9.36000 35.56000 86.53000 0.00000 0.00000 0.00000 3.65000 16.63000 0.00000 -2.62000 0.00000 -2.17000 0.00000 0.00000 62.00000 HSE1_1SEM-23_14.PDB 4.06000 -39.59000 -11.21000 -64.43000 -4.36000 79.09000 -83.33000 9.48000 33.89000 85.68000 0.00000 0.00000 0.00000 3.72000 16.25000 0.00000 -2.47000 0.00000 -2.42000 0.00000 0.00000 62.00000 HSE1_1SEM-23_15.PDB 1.43000 -39.42000 -14.40000 -64.89000 -4.42000 79.66000 -84.35000 9.47000 35.62000 84.90000 0.00000 0.00000 0.00000 3.74000 16.59000 0.00000 -2.38000 0.00000 -2.10000 0.00000 0.00000 62.00000 HSE1_1SEM-23_16.PDB 2.15000 -38.67000 -11.97000 -65.10000 -4.17000 78.90000 -84.90000 9.18000 35.17000 84.83000 0.00000 0.00000 0.00000 3.49000 16.43000 0.00000 -2.41000 0.00000 -2.20000 0.00000 0.00000 62.00000 HSE1_1SEM-23_17.PDB -0.25000 -38.12000 -13.07000 -64.94000 -4.24000 78.90000 -84.65000 8.42000 35.14000 83.91000 0.00000 0.00000 0.00000 3.21000 16.48000 0.00000 -2.52000 0.00000 -2.27000 0.00000 0.00000 62.00000 HSE1_1SEM-23_18.PDB 2.25000 -37.81000 -9.17000 -64.79000 -3.27000 76.81000 -84.97000 8.77000 33.55000 83.90000 0.00000 0.00000 0.00000 3.36000 16.66000 0.00000 -2.11000 0.00000 -2.01000 0.00000 0.00000 62.00000 HSE1_1SEM-23_19.PDB 2.58000 -36.99000 -10.55000 -64.47000 -3.98000 77.39000 -84.32000 8.48000 34.08000 82.91000 0.00000 0.00000 0.00000 4.16000 16.62000 0.00000 -1.97000 0.00000 -2.15000 0.00000 0.00000 62.00000 HSE1_1SEM-23_20.PDB 3.04000 -40.11000 -13.57000 -64.43000 -4.26000 79.35000 -83.17000 9.59000 34.55000 85.83000 0.00000 0.00000 0.00000 3.69000 16.35000 0.00000 -2.04000 0.00000 -2.40000 0.00000 0.00000 62.00000 HSE1_1SEM-23_21.PDB 0.88000 -38.65000 -12.68000 -65.21000 -3.30000 78.56000 -85.16000 9.46000 34.00000 84.22000 0.00000 0.00000 0.00000 3.37000 16.47000 0.00000 -2.05000 0.00000 -1.69000 0.00000 0.00000 62.00000 HSE1_1SEM-23_22.PDB 1.38000 -37.99000 -10.12000 -66.15000 -4.67000 80.10000 -86.12000 8.64000 34.56000 84.36000 0.00000 0.00000 0.00000 3.05000 16.50000 0.00000 -1.82000 0.00000 -2.46000 0.00000 0.00000 62.00000 HSE1_1SEM-23_23.PDB 2.43000 -38.38000 -11.47000 -64.82000 -4.06000 78.13000 -84.64000 9.46000 34.71000 84.02000 0.00000 0.00000 0.00000 3.61000 16.68000 0.00000 -1.99000 0.00000 -2.14000 0.00000 0.00000 62.00000 HSE1_1SEM-23_24.PDB 4.36000 -38.73000 -10.21000 -64.96000 -4.33000 78.72000 -84.02000 9.56000 33.70000 85.45000 0.00000 0.00000 0.00000 3.45000 16.43000 0.00000 -1.96000 0.00000 -2.31000 0.00000 0.00000 62.00000 HSE1_1SEM-23_25.PDB 2.57000 -37.37000 -9.38000 -64.84000 -3.14000 76.84000 -85.12000 8.98000 34.02000 83.43000 0.00000 0.00000 0.00000 3.03000 16.44000 0.00000 -2.22000 0.00000 -1.65000 0.00000 0.00000 62.00000 HSE1_1SEM-23_26.PDB 3.61000 -37.91000 -9.43000 -63.73000 -3.67000 77.26000 -82.80000 8.40000 32.47000 84.10000 0.00000 0.00000 0.00000 3.33000 16.24000 0.00000 -2.17000 0.00000 -2.23000 0.00000 0.00000 62.00000 HSE1_1SEM-23_27.PDB 1.66000 -37.79000 -11.20000 -64.67000 -4.27000 78.33000 -84.47000 8.40000 33.95000 84.47000 0.00000 0.00000 0.00000 3.21000 16.55000 0.00000 -2.04000 0.00000 -2.25000 0.00000 0.00000 62.00000 HSE1_1SEM-23_28.PDB 2.70000 -37.86000 -12.05000 -64.25000 -4.09000 78.01000 -83.84000 8.09000 33.94000 84.53000 0.00000 0.00000 0.00000 4.19000 16.50000 0.00000 -1.85000 0.00000 -2.11000 0.00000 0.00000 62.00000 HSE1_1SEM-23_29.PDB 2.04000 -37.78000 -12.73000 -65.56000 -5.37000 79.98000 -85.02000 9.45000 34.95000 84.99000 0.00000 0.00000 0.00000 3.34000 16.58000 0.00000 -1.80000 0.00000 -2.41000 0.00000 0.00000 62.00000 HSE1_1SEM-23_30.PDB 2.97000 -37.95000 -9.43000 -65.26000 -4.20000 78.62000 -85.26000 8.56000 33.80000 84.94000 0.00000 0.00000 0.00000 3.05000 16.60000 0.00000 -1.68000 0.00000 -2.22000 0.00000 0.00000 62.00000