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-29_1.PDB -1.79000 -41.80000 -12.80000 -67.87000 -3.49000 81.43000 -89.01000 8.33000 36.74000 87.26000 0.00000 0.00000 0.00000 3.34000 16.31000 0.00000 -2.09000 0.00000 -1.83000 0.00000 0.00000 65.00000 HSE1_1SEM-29_2.PDB -0.91000 -41.01000 -11.99000 -67.53000 -3.62000 80.93000 -88.59000 9.29000 35.80000 86.63000 0.00000 0.00000 0.00000 2.99000 16.26000 0.00000 -2.08000 0.00000 -1.73000 0.00000 0.00000 65.00000 HSE1_1SEM-29_3.PDB -0.20000 -40.40000 -11.59000 -68.14000 -3.70000 81.74000 -89.30000 9.11000 35.64000 87.00000 0.00000 0.00000 0.00000 3.63000 16.39000 0.00000 -2.10000 0.00000 -2.09000 0.00000 0.00000 65.00000 HSE1_1SEM-29_4.PDB -2.00000 -41.25000 -11.57000 -68.29000 -3.39000 81.49000 -89.46000 9.33000 35.91000 86.41000 0.00000 0.00000 0.00000 2.74000 16.34000 0.00000 -2.17000 0.00000 -1.74000 0.00000 0.00000 65.00000 HSE1_1SEM-29_5.PDB -1.47000 -38.46000 -12.02000 -68.04000 -4.04000 80.95000 -89.19000 8.49000 35.98000 85.86000 0.00000 0.00000 0.00000 3.45000 16.35000 0.00000 -2.52000 0.00000 -1.94000 0.00000 0.00000 65.00000 HSE1_1SEM-29_6.PDB -1.33000 -39.97000 -10.47000 -68.13000 -3.64000 81.32000 -89.44000 9.35000 35.38000 85.35000 0.00000 0.00000 0.00000 2.84000 16.32000 0.00000 -2.19000 0.00000 -1.73000 0.00000 0.00000 65.00000 HSE1_1SEM-29_7.PDB -0.88000 -41.37000 -12.65000 -68.25000 -3.33000 82.05000 -89.35000 8.56000 36.12000 88.04000 0.00000 0.00000 0.00000 3.06000 16.45000 0.00000 -2.04000 0.00000 -1.71000 0.00000 0.00000 65.00000 HSE1_1SEM-29_8.PDB -0.09000 -40.45000 -11.67000 -68.68000 -3.50000 82.29000 -90.00000 9.26000 35.70000 87.96000 0.00000 0.00000 0.00000 2.91000 16.42000 0.00000 -2.08000 0.00000 -1.84000 0.00000 0.00000 65.00000 HSE1_1SEM-29_9.PDB -2.17000 -40.70000 -11.86000 -68.90000 -3.52000 81.69000 -90.62000 8.79000 36.41000 87.80000 0.00000 0.00000 0.00000 2.75000 16.55000 0.00000 -2.23000 0.00000 -1.76000 0.00000 0.00000 65.00000 HSE1_1SEM-29_10.PDB -1.80000 -41.09000 -12.34000 -68.39000 -3.94000 82.62000 -89.41000 8.45000 36.26000 86.88000 0.00000 0.00000 0.00000 3.32000 16.36000 0.00000 -2.15000 0.00000 -2.02000 0.00000 0.00000 65.00000 HSE1_1SEM-29_11.PDB -0.21000 -40.21000 -9.98000 -68.92000 -3.28000 81.86000 -90.60000 9.20000 35.23000 87.27000 0.00000 0.00000 0.00000 2.77000 16.43000 0.00000 -1.86000 0.00000 -1.70000 0.00000 0.00000 65.00000 HSE1_1SEM-29_12.PDB -1.29000 -40.39000 -11.53000 -67.78000 -3.49000 81.24000 -88.88000 8.25000 35.34000 86.80000 0.00000 0.00000 0.00000 3.31000 16.36000 0.00000 -2.14000 0.00000 -2.01000 0.00000 0.00000 65.00000 HSE1_1SEM-29_13.PDB 1.09000 -40.16000 -11.21000 -67.80000 -3.55000 81.27000 -88.89000 9.58000 34.88000 87.70000 0.00000 0.00000 0.00000 3.03000 16.46000 0.00000 -2.06000 0.00000 -1.69000 0.00000 0.00000 65.00000 HSE1_1SEM-29_14.PDB 0.81000 -40.58000 -11.20000 -68.51000 -3.77000 81.58000 -89.99000 10.12000 36.02000 88.17000 0.00000 0.00000 0.00000 2.83000 16.39000 0.00000 -2.13000 0.00000 -1.73000 0.00000 0.00000 65.00000 HSE1_1SEM-29_15.PDB -0.31000 -40.64000 -10.35000 -68.44000 -3.52000 81.74000 -89.74000 9.49000 35.56000 86.97000 0.00000 0.00000 0.00000 2.90000 16.45000 0.00000 -2.11000 0.00000 -2.18000 0.00000 0.00000 65.00000 HSE1_1SEM-29_16.PDB 0.37000 -40.54000 -10.28000 -68.20000 -3.58000 81.38000 -89.44000 9.61000 35.36000 86.86000 0.00000 0.00000 0.00000 2.90000 16.40000 0.00000 -1.87000 0.00000 -1.83000 0.00000 0.00000 65.00000 HSE1_1SEM-29_17.PDB -2.62000 -41.59000 -12.84000 -67.78000 -3.54000 81.02000 -88.69000 9.23000 36.29000 86.29000 0.00000 0.00000 0.00000 2.84000 16.40000 0.00000 -1.98000 0.00000 -1.88000 0.00000 0.00000 65.00000 HSE1_1SEM-29_18.PDB 0.17000 -40.61000 -10.67000 -69.34000 -3.65000 82.22000 -91.13000 9.54000 36.12000 88.44000 0.00000 0.00000 0.00000 3.06000 16.52000 0.00000 -1.79000 0.00000 -2.03000 0.00000 0.00000 65.00000 HSE1_1SEM-29_19.PDB -0.66000 -40.55000 -11.84000 -68.41000 -3.56000 81.92000 -89.72000 9.02000 35.66000 87.84000 0.00000 0.00000 0.00000 3.10000 16.36000 0.00000 -2.22000 0.00000 -1.92000 0.00000 0.00000 65.00000 HSE1_1SEM-29_20.PDB -0.83000 -40.91000 -11.28000 -68.31000 -3.50000 81.55000 -89.52000 9.00000 35.42000 87.55000 0.00000 0.00000 0.00000 2.95000 16.47000 0.00000 -1.96000 0.00000 -1.82000 0.00000 0.00000 65.00000 HSE1_1SEM-29_21.PDB 1.62000 -40.28000 -10.81000 -69.00000 -3.82000 82.71000 -90.38000 9.30000 36.43000 88.09000 0.00000 0.00000 0.00000 3.03000 16.46000 0.00000 -1.89000 0.00000 -1.76000 0.00000 0.00000 65.00000 HSE1_1SEM-29_22.PDB -1.61000 -40.55000 -11.00000 -68.74000 -3.34000 81.26000 -90.41000 9.28000 35.48000 87.14000 0.00000 0.00000 0.00000 2.75000 16.43000 0.00000 -1.89000 0.00000 -1.59000 0.00000 0.00000 65.00000 HSE1_1SEM-29_23.PDB -1.61000 -40.39000 -11.62000 -68.83000 -3.63000 82.21000 -90.23000 8.80000 35.87000 87.32000 0.00000 0.00000 0.00000 3.24000 16.43000 0.00000 -2.33000 0.00000 -2.03000 0.00000 0.00000 65.00000 HSE1_1SEM-29_24.PDB -2.27000 -40.27000 -11.47000 -69.15000 -3.72000 82.23000 -90.69000 8.41000 36.22000 86.91000 0.00000 0.00000 0.00000 3.20000 16.56000 0.00000 -2.08000 0.00000 -1.86000 0.00000 0.00000 65.00000 HSE1_1SEM-29_25.PDB -1.93000 -40.68000 -10.65000 -68.52000 -3.29000 81.39000 -89.93000 9.22000 35.43000 86.10000 0.00000 0.00000 0.00000 2.66000 16.31000 0.00000 -2.02000 0.00000 -1.66000 0.00000 0.00000 65.00000 HSE1_1SEM-29_26.PDB -1.63000 -40.22000 -11.20000 -67.85000 -3.69000 80.64000 -88.97000 9.28000 35.29000 85.80000 0.00000 0.00000 0.00000 2.98000 16.41000 0.00000 -1.97000 0.00000 -1.71000 0.00000 0.00000 65.00000 HSE1_1SEM-29_27.PDB -1.21000 -41.46000 -11.85000 -68.54000 -3.28000 81.96000 -89.67000 9.06000 36.02000 87.63000 0.00000 0.00000 0.00000 3.05000 16.48000 0.00000 -2.10000 0.00000 -2.03000 0.00000 0.00000 65.00000 HSE1_1SEM-29_28.PDB 0.38000 -40.53000 -11.58000 -67.75000 -3.70000 81.49000 -88.64000 8.37000 35.44000 87.54000 0.00000 0.00000 0.00000 3.82000 16.40000 0.00000 -2.18000 0.00000 -1.90000 0.00000 0.00000 65.00000 HSE1_1SEM-29_29.PDB -1.11000 -41.48000 -11.95000 -69.68000 -3.50000 83.06000 -91.37000 9.15000 37.00000 88.83000 0.00000 0.00000 0.00000 2.90000 16.68000 0.00000 -2.03000 0.00000 -2.04000 0.00000 0.00000 65.00000 HSE1_1SEM-29_30.PDB -1.27000 -41.36000 -11.08000 -68.27000 -3.33000 81.57000 -89.42000 9.47000 35.86000 86.49000 0.00000 0.00000 0.00000 2.97000 16.29000 0.00000 -2.29000 0.00000 -1.88000 0.00000 0.00000 65.00000