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-9_1.PDB -0.71000 -39.13000 -11.10000 -67.28000 -4.15000 82.25000 -88.06000 8.52000 35.31000 84.17000 0.00000 0.00000 0.00000 3.33000 15.49000 0.00000 -2.83000 0.00000 -1.74000 0.00000 0.00000 63.00000 HSE1_1SEM-9_2.PDB 0.07000 -38.99000 -11.15000 -67.07000 -3.16000 80.91000 -88.24000 8.89000 34.85000 83.98000 0.00000 0.00000 0.00000 3.84000 15.35000 0.00000 -2.40000 0.00000 -1.38000 0.00000 0.00000 63.00000 HSE1_1SEM-9_3.PDB 0.86000 -39.17000 -9.81000 -67.28000 -3.75000 81.32000 -88.26000 8.23000 35.19000 85.08000 0.00000 0.00000 0.00000 3.88000 15.39000 0.00000 -2.97000 0.00000 -1.60000 0.00000 0.00000 63.00000 HSE1_1SEM-9_4.PDB 0.77000 -39.69000 -13.84000 -69.41000 -4.94000 85.92000 -90.15000 9.38000 37.84000 86.73000 0.00000 0.00000 0.00000 4.29000 15.67000 0.00000 -3.10000 0.00000 -2.26000 0.00000 0.00000 63.00000 HSE1_1SEM-9_5.PDB -1.15000 -39.08000 -12.81000 -67.77000 -4.26000 82.89000 -88.38000 8.38000 36.00000 85.01000 0.00000 0.00000 0.00000 4.08000 15.49000 0.00000 -3.17000 0.00000 -2.04000 0.00000 0.00000 63.00000 HSE1_1SEM-9_6.PDB -0.21000 -39.13000 -10.95000 -68.76000 -4.82000 84.21000 -89.63000 8.37000 36.47000 85.71000 0.00000 0.00000 0.00000 3.41000 15.90000 0.00000 -2.90000 0.00000 -2.19000 0.00000 0.00000 63.00000 HSE1_1SEM-9_7.PDB -2.13000 -39.09000 -9.41000 -66.59000 -3.49000 79.91000 -87.56000 7.95000 34.22000 83.28000 0.00000 0.00000 0.00000 2.57000 15.35000 0.00000 -2.38000 0.00000 -1.54000 0.00000 0.00000 63.00000 HSE1_1SEM-9_8.PDB -0.15000 -39.11000 -11.86000 -69.34000 -3.58000 83.53000 -90.89000 9.02000 36.40000 86.20000 0.00000 0.00000 0.00000 4.42000 15.87000 0.00000 -3.45000 0.00000 -1.49000 0.00000 0.00000 63.00000 HSE1_1SEM-9_9.PDB 0.23000 -39.99000 -10.43000 -67.49000 -3.48000 81.47000 -88.30000 8.27000 35.77000 84.35000 0.00000 0.00000 0.00000 3.97000 15.38000 0.00000 -2.29000 0.00000 -1.64000 0.00000 0.00000 63.00000 HSE1_1SEM-9_10.PDB -1.10000 -39.41000 -11.88000 -68.64000 -3.65000 82.85000 -89.94000 8.04000 36.56000 85.90000 0.00000 0.00000 0.00000 3.38000 15.41000 0.00000 -2.75000 0.00000 -1.56000 0.00000 0.00000 63.00000 HSE1_1SEM-9_11.PDB -4.23000 -39.03000 -12.54000 -67.58000 -4.21000 82.45000 -88.04000 8.11000 35.65000 82.98000 0.00000 0.00000 0.00000 2.85000 15.53000 0.00000 -2.79000 0.00000 -2.09000 0.00000 0.00000 63.00000 HSE1_1SEM-9_12.PDB 2.38000 -39.16000 -9.90000 -67.85000 -3.78000 82.33000 -89.07000 8.64000 35.51000 86.35000 0.00000 0.00000 0.00000 3.38000 15.61000 0.00000 -2.38000 0.00000 -1.69000 0.00000 0.00000 63.00000 HSE1_1SEM-9_13.PDB 1.48000 -39.12000 -11.08000 -67.49000 -4.04000 82.35000 -88.29000 8.67000 35.57000 86.23000 0.00000 0.00000 0.00000 3.19000 15.61000 0.00000 -2.83000 0.00000 -1.68000 0.00000 0.00000 63.00000 HSE1_1SEM-9_14.PDB 1.61000 -39.08000 -11.20000 -68.56000 -4.19000 83.52000 -89.55000 8.86000 36.07000 85.67000 0.00000 0.00000 0.00000 4.54000 15.76000 0.00000 -2.71000 0.00000 -1.75000 0.00000 0.00000 63.00000 HSE1_1SEM-9_15.PDB -2.33000 -39.12000 -11.08000 -67.40000 -4.47000 82.38000 -87.76000 8.03000 35.23000 84.44000 0.00000 0.00000 0.00000 2.81000 15.44000 0.00000 -3.17000 0.00000 -2.21000 0.00000 0.00000 63.00000 HSE1_1SEM-9_16.PDB -0.33000 -39.12000 -9.92000 -66.93000 -3.89000 81.19000 -87.61000 8.31000 35.10000 84.14000 0.00000 0.00000 0.00000 2.87000 15.33000 0.00000 -2.78000 0.00000 -1.71000 0.00000 0.00000 63.00000 HSE1_1SEM-9_17.PDB 1.97000 -38.99000 -9.47000 -67.11000 -3.65000 81.99000 -87.68000 8.42000 34.89000 84.82000 0.00000 0.00000 0.00000 3.16000 15.57000 0.00000 -2.70000 0.00000 -1.71000 0.00000 0.00000 63.00000 HSE1_1SEM-9_18.PDB 0.86000 -39.53000 -12.08000 -68.05000 -3.55000 82.48000 -89.14000 8.10000 36.23000 86.57000 0.00000 0.00000 0.00000 4.42000 15.45000 0.00000 -3.05000 0.00000 -1.55000 0.00000 0.00000 63.00000 HSE1_1SEM-9_19.PDB -0.37000 -40.05000 -10.92000 -67.25000 -4.11000 81.64000 -88.05000 8.38000 36.11000 84.14000 0.00000 0.00000 0.00000 4.19000 15.44000 0.00000 -2.72000 0.00000 -1.74000 0.00000 0.00000 63.00000 HSE1_1SEM-9_20.PDB -0.67000 -39.94000 -10.29000 -66.62000 -3.90000 80.89000 -87.52000 7.57000 35.27000 83.87000 0.00000 0.00000 0.00000 4.21000 15.24000 0.00000 -2.57000 0.00000 -1.66000 0.00000 0.00000 63.00000 HSE1_1SEM-9_21.PDB 0.49000 -39.10000 -10.80000 -68.85000 -3.39000 82.98000 -90.41000 8.20000 35.76000 86.85000 0.00000 0.00000 0.00000 3.37000 15.91000 0.00000 -2.68000 0.00000 -1.44000 0.00000 0.00000 63.00000 HSE1_1SEM-9_22.PDB 0.03000 -40.52000 -11.01000 -67.55000 -4.20000 83.16000 -87.83000 8.22000 35.98000 85.22000 0.00000 0.00000 0.00000 4.01000 15.39000 0.00000 -3.06000 0.00000 -2.37000 0.00000 0.00000 63.00000 HSE1_1SEM-9_23.PDB -1.12000 -39.13000 -9.99000 -66.08000 -2.70000 79.08000 -86.97000 8.30000 33.40000 83.84000 0.00000 0.00000 0.00000 2.67000 15.04000 0.00000 -2.14000 0.00000 -1.39000 0.00000 0.00000 63.00000 HSE1_1SEM-9_24.PDB -2.02000 -39.10000 -10.30000 -67.36000 -3.54000 80.76000 -88.25000 7.66000 34.92000 83.99000 0.00000 0.00000 0.00000 3.53000 15.43000 0.00000 -2.79000 0.00000 -1.54000 0.00000 0.00000 63.00000 HSE1_1SEM-9_25.PDB 1.02000 -38.95000 -11.65000 -68.47000 -3.64000 82.81000 -89.70000 9.69000 36.11000 85.53000 0.00000 0.00000 0.00000 3.41000 15.83000 0.00000 -2.60000 0.00000 -1.53000 0.00000 0.00000 63.00000 HSE1_1SEM-9_26.PDB -2.61000 -38.85000 -10.88000 -67.80000 -3.63000 81.52000 -88.94000 7.98000 35.44000 84.17000 0.00000 0.00000 0.00000 2.70000 15.49000 0.00000 -2.63000 0.00000 -1.68000 0.00000 0.00000 63.00000 HSE1_1SEM-9_27.PDB -2.02000 -39.07000 -12.67000 -67.70000 -4.45000 83.14000 -88.13000 8.99000 36.03000 84.12000 0.00000 0.00000 0.00000 3.07000 15.35000 0.00000 -3.21000 0.00000 -2.12000 0.00000 0.00000 63.00000 HSE1_1SEM-9_28.PDB 2.16000 -39.11000 -11.08000 -68.43000 -4.26000 83.67000 -89.20000 9.05000 36.01000 86.46000 0.00000 0.00000 0.00000 4.26000 15.70000 0.00000 -3.34000 0.00000 -1.86000 0.00000 0.00000 63.00000 HSE1_1SEM-9_29.PDB -0.28000 -39.10000 -12.31000 -68.32000 -3.86000 83.67000 -88.72000 8.27000 35.88000 85.25000 0.00000 0.00000 0.00000 3.53000 15.73000 0.00000 -2.94000 0.00000 -1.61000 0.00000 0.00000 63.00000 HSE1_1SEM-9_30.PDB -0.65000 -39.15000 -11.33000 -67.88000 -4.67000 83.65000 -88.00000 8.11000 35.90000 85.16000 0.00000 0.00000 0.00000 3.10000 15.42000 0.00000 -3.25000 0.00000 -2.28000 0.00000 0.00000 63.00000