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-7_1.PDB 4.71000 -38.51000 -9.97000 -64.58000 -3.85000 79.17000 -84.41000 10.33000 33.25000 83.84000 0.00000 0.00000 0.00000 3.31000 14.76000 0.00000 -2.58000 0.00000 -1.30000 0.00000 0.00000 63.00000 HSE1_1SEM-7_2.PDB 4.74000 -38.07000 -10.05000 -65.24000 -4.12000 80.08000 -85.55000 11.31000 33.16000 84.17000 0.00000 0.00000 0.00000 3.18000 14.82000 0.00000 -2.53000 0.00000 -1.60000 0.00000 0.00000 63.00000 HSE1_1SEM-7_3.PDB 4.53000 -38.39000 -10.71000 -65.29000 -4.37000 80.19000 -85.33000 10.43000 34.04000 85.07000 0.00000 0.00000 0.00000 3.03000 14.51000 0.00000 -2.75000 0.00000 -1.41000 0.00000 0.00000 63.00000 HSE1_1SEM-7_4.PDB 4.13000 -38.76000 -9.98000 -65.82000 -3.67000 79.82000 -86.37000 11.15000 34.31000 84.84000 0.00000 0.00000 0.00000 3.01000 14.77000 0.00000 -2.71000 0.00000 -1.68000 0.00000 0.00000 63.00000 HSE1_1SEM-7_5.PDB 5.26000 -38.27000 -9.61000 -64.35000 -3.34000 78.93000 -84.23000 10.44000 32.77000 83.65000 0.00000 0.00000 0.00000 2.82000 14.66000 0.00000 -2.39000 0.00000 -1.16000 0.00000 0.00000 63.00000 HSE1_1SEM-7_6.PDB 4.04000 -37.28000 -10.28000 -64.91000 -3.96000 79.05000 -85.14000 10.29000 33.48000 84.09000 0.00000 0.00000 0.00000 2.72000 14.77000 0.00000 -2.38000 0.00000 -1.64000 0.00000 0.00000 63.00000 HSE1_1SEM-7_7.PDB 5.39000 -38.59000 -10.96000 -65.01000 -3.69000 78.90000 -85.24000 11.81000 34.00000 84.30000 0.00000 0.00000 0.00000 3.36000 14.66000 0.00000 -2.43000 0.00000 -1.08000 0.00000 0.00000 63.00000 HSE1_1SEM-7_8.PDB 5.52000 -38.77000 -9.87000 -65.74000 -3.98000 80.53000 -85.84000 10.12000 33.97000 85.04000 0.00000 0.00000 0.00000 4.15000 14.94000 0.00000 -2.28000 0.00000 -1.81000 0.00000 0.00000 63.00000 HSE1_1SEM-7_9.PDB 3.84000 -39.07000 -10.61000 -64.65000 -3.77000 79.40000 -84.49000 10.14000 33.46000 84.72000 0.00000 0.00000 0.00000 2.92000 14.59000 0.00000 -2.84000 0.00000 -1.38000 0.00000 0.00000 63.00000 HSE1_1SEM-7_10.PDB 5.14000 -37.81000 -9.99000 -65.44000 -4.53000 80.45000 -85.72000 10.96000 33.87000 85.11000 0.00000 0.00000 0.00000 2.55000 14.68000 0.00000 -2.65000 0.00000 -1.65000 0.00000 0.00000 63.00000 HSE1_1SEM-7_11.PDB 1.34000 -38.39000 -9.82000 -64.92000 -3.80000 79.00000 -84.71000 9.05000 32.91000 83.70000 0.00000 0.00000 0.00000 2.81000 14.75000 0.00000 -3.19000 0.00000 -1.32000 0.00000 0.00000 63.00000 HSE1_1SEM-7_12.PDB 2.45000 -37.91000 -9.58000 -65.71000 -4.05000 80.22000 -85.93000 9.28000 33.44000 84.00000 0.00000 0.00000 0.00000 2.97000 14.91000 0.00000 -2.69000 0.00000 -1.60000 0.00000 0.00000 63.00000 HSE1_1SEM-7_13.PDB 7.01000 -39.57000 -11.54000 -64.88000 -3.04000 79.09000 -85.08000 13.42000 34.06000 85.49000 0.00000 0.00000 0.00000 2.75000 14.67000 0.00000 -2.54000 0.00000 -1.15000 0.00000 0.00000 63.00000 HSE1_1SEM-7_14.PDB 1.75000 -39.12000 -11.69000 -65.57000 -4.87000 81.40000 -84.98000 9.72000 34.39000 83.71000 0.00000 0.00000 0.00000 3.33000 14.64000 0.00000 -2.64000 0.00000 -1.93000 0.00000 0.00000 63.00000 HSE1_1SEM-7_15.PDB 5.57000 -37.92000 -9.98000 -65.21000 -3.76000 79.23000 -85.50000 10.86000 34.07000 85.14000 0.00000 0.00000 0.00000 2.87000 14.84000 0.00000 -2.48000 0.00000 -1.76000 0.00000 0.00000 63.00000 HSE1_1SEM-7_16.PDB 2.76000 -37.74000 -10.52000 -65.91000 -4.97000 81.22000 -85.54000 10.05000 33.76000 84.18000 0.00000 0.00000 0.00000 3.43000 14.94000 0.00000 -3.02000 0.00000 -2.17000 0.00000 0.00000 63.00000 HSE1_1SEM-7_17.PDB 3.05000 -38.40000 -9.90000 -64.98000 -3.74000 79.25000 -84.76000 9.09000 33.02000 84.51000 0.00000 0.00000 0.00000 3.09000 14.65000 0.00000 -2.75000 0.00000 -1.38000 0.00000 0.00000 63.00000 HSE1_1SEM-7_18.PDB 3.80000 -37.99000 -9.86000 -66.49000 -4.88000 81.56000 -86.85000 9.56000 34.99000 85.37000 0.00000 0.00000 0.00000 2.86000 14.88000 0.00000 -2.25000 0.00000 -2.20000 0.00000 0.00000 63.00000 HSE1_1SEM-7_19.PDB 4.66000 -37.96000 -11.29000 -65.12000 -4.19000 79.38000 -84.71000 10.92000 34.37000 84.67000 0.00000 0.00000 0.00000 3.11000 14.77000 0.00000 -2.84000 0.00000 -1.70000 0.00000 0.00000 63.00000 HSE1_1SEM-7_20.PDB 3.86000 -38.91000 -10.85000 -66.34000 -5.23000 81.71000 -85.98000 11.24000 35.75000 85.13000 0.00000 0.00000 0.00000 3.06000 14.89000 0.00000 -3.04000 0.00000 -2.68000 0.00000 0.00000 63.00000 HSE1_1SEM-7_21.PDB 3.62000 -38.31000 -9.06000 -64.41000 -2.82000 77.79000 -84.32000 9.25000 32.47000 84.09000 0.00000 0.00000 0.00000 2.70000 14.58000 0.00000 -2.90000 0.00000 -0.88000 0.00000 0.00000 63.00000 HSE1_1SEM-7_22.PDB 3.82000 -38.19000 -10.09000 -64.39000 -3.67000 78.68000 -84.24000 10.32000 32.70000 83.53000 0.00000 0.00000 0.00000 2.86000 14.66000 0.00000 -2.45000 0.00000 -1.23000 0.00000 0.00000 63.00000 HSE1_1SEM-7_23.PDB 2.06000 -38.34000 -9.97000 -65.68000 -3.78000 80.18000 -85.86000 9.36000 33.42000 84.32000 0.00000 0.00000 0.00000 2.75000 14.84000 0.00000 -2.78000 0.00000 -1.53000 0.00000 0.00000 63.00000 HSE1_1SEM-7_24.PDB 3.78000 -39.23000 -11.65000 -65.09000 -3.92000 80.24000 -84.65000 11.18000 33.89000 84.78000 0.00000 0.00000 0.00000 2.94000 14.71000 0.00000 -3.24000 0.00000 -1.47000 0.00000 0.00000 63.00000 HSE1_1SEM-7_25.PDB 3.86000 -38.78000 -10.86000 -66.07000 -4.50000 81.25000 -86.03000 11.35000 34.19000 85.28000 0.00000 0.00000 0.00000 2.85000 14.87000 0.00000 -2.90000 0.00000 -1.91000 0.00000 0.00000 63.00000 HSE1_1SEM-7_26.PDB 3.54000 -38.39000 -9.48000 -65.24000 -3.17000 79.77000 -84.90000 9.03000 33.00000 84.57000 0.00000 0.00000 0.00000 3.11000 14.61000 0.00000 -3.43000 0.00000 -1.33000 0.00000 0.00000 63.00000 HSE1_1SEM-7_27.PDB 3.68000 -38.27000 -9.91000 -65.31000 -4.23000 79.95000 -85.61000 10.82000 33.61000 84.09000 0.00000 0.00000 0.00000 2.62000 14.81000 0.00000 -2.44000 0.00000 -1.65000 0.00000 0.00000 63.00000 HSE1_1SEM-7_28.PDB 6.18000 -38.40000 -8.64000 -65.44000 -4.55000 80.53000 -85.25000 10.02000 33.92000 85.40000 0.00000 0.00000 0.00000 2.77000 14.72000 0.00000 -2.28000 0.00000 -1.89000 0.00000 0.00000 63.00000 HSE1_1SEM-7_29.PDB 4.42000 -38.14000 -9.26000 -66.07000 -3.54000 80.22000 -86.36000 10.21000 33.16000 85.15000 0.00000 0.00000 0.00000 2.96000 14.85000 0.00000 -2.30000 0.00000 -1.61000 0.00000 0.00000 63.00000 HSE1_1SEM-7_30.PDB 6.04000 -39.03000 -9.80000 -64.91000 -3.78000 80.22000 -84.57000 10.10000 33.86000 84.98000 0.00000 0.00000 0.00000 3.06000 14.66000 0.00000 -2.65000 0.00000 -1.45000 0.00000 0.00000 63.00000