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-11_1.PDB 0.86000 -41.04000 -11.71000 -66.22000 -1.72000 80.89000 -86.28000 10.38000 32.61000 84.10000 0.00000 0.00000 0.00000 2.99000 16.84000 0.00000 -2.51000 0.00000 -0.63000 0.00000 0.00000 62.00000 HSE1_1SEM-11_2.PDB 1.92000 -41.04000 -12.33000 -66.51000 -1.95000 81.69000 -86.26000 11.03000 33.38000 83.53000 0.00000 0.00000 0.00000 3.14000 16.92000 0.00000 -2.17000 0.00000 -0.58000 0.00000 0.00000 62.00000 HSE1_1SEM-11_3.PDB 2.02000 -40.47000 -13.40000 -66.23000 -1.78000 80.51000 -86.12000 10.80000 34.08000 84.64000 0.00000 0.00000 0.00000 3.26000 16.94000 0.00000 -2.51000 0.00000 -0.77000 0.00000 0.00000 62.00000 HSE1_1SEM-11_4.PDB 3.14000 -39.71000 -12.58000 -65.06000 -1.56000 78.74000 -85.34000 10.23000 32.54000 85.57000 0.00000 0.00000 0.00000 2.99000 16.57000 0.00000 -2.01000 0.00000 -0.66000 0.00000 0.00000 62.00000 HSE1_1SEM-11_5.PDB 2.48000 -38.94000 -11.71000 -65.17000 -1.53000 77.99000 -85.45000 10.03000 32.47000 84.63000 0.00000 0.00000 0.00000 2.95000 16.35000 0.00000 -2.21000 0.00000 -0.58000 0.00000 0.00000 62.00000 HSE1_1SEM-11_6.PDB 1.80000 -41.03000 -14.80000 -66.60000 -2.33000 82.30000 -86.18000 10.27000 34.93000 85.67000 0.00000 0.00000 0.00000 3.37000 17.04000 0.00000 -2.76000 0.00000 -1.04000 0.00000 0.00000 62.00000 HSE1_1SEM-11_7.PDB 5.51000 -40.80000 -12.88000 -67.57000 -2.97000 84.56000 -86.64000 10.18000 34.72000 86.44000 0.00000 0.00000 0.00000 3.81000 17.27000 0.00000 -2.23000 0.00000 -1.11000 0.00000 0.00000 62.00000 HSE1_1SEM-11_8.PDB 3.90000 -36.94000 -11.16000 -65.59000 -2.96000 79.29000 -85.42000 10.95000 31.88000 84.21000 0.00000 0.00000 0.00000 2.95000 16.51000 0.00000 -2.29000 0.00000 -1.00000 0.00000 0.00000 62.00000 HSE1_1SEM-11_9.PDB 1.85000 -40.81000 -13.69000 -67.01000 -1.77000 81.36000 -86.97000 11.11000 34.69000 84.70000 0.00000 0.00000 0.00000 3.45000 17.17000 0.00000 -2.59000 0.00000 -0.62000 0.00000 0.00000 62.00000 HSE1_1SEM-11_10.PDB 2.43000 -40.95000 -12.29000 -66.35000 -2.15000 81.23000 -86.21000 10.12000 33.43000 85.67000 0.00000 0.00000 0.00000 3.37000 16.75000 0.00000 -2.56000 0.00000 -0.87000 0.00000 0.00000 62.00000 HSE1_1SEM-11_11.PDB 3.37000 -40.00000 -11.37000 -65.66000 -2.00000 80.00000 -85.64000 10.87000 32.21000 84.95000 0.00000 0.00000 0.00000 3.06000 16.55000 0.00000 -2.37000 0.00000 -0.68000 0.00000 0.00000 62.00000 HSE1_1SEM-11_12.PDB 2.92000 -39.42000 -10.51000 -65.76000 -1.80000 79.57000 -85.81000 10.34000 31.87000 84.78000 0.00000 0.00000 0.00000 3.01000 16.71000 0.00000 -2.70000 0.00000 -0.65000 0.00000 0.00000 62.00000 HSE1_1SEM-11_13.PDB 3.58000 -40.38000 -13.26000 -66.19000 -2.16000 80.85000 -86.02000 9.87000 34.19000 86.81000 0.00000 0.00000 0.00000 3.46000 16.85000 0.00000 -2.44000 0.00000 -1.14000 0.00000 0.00000 62.00000 HSE1_1SEM-11_14.PDB 3.21000 -37.28000 -13.86000 -65.98000 -3.10000 79.81000 -85.93000 10.24000 33.91000 85.52000 0.00000 0.00000 0.00000 3.09000 16.62000 0.00000 -2.14000 0.00000 -1.07000 0.00000 0.00000 62.00000 HSE1_1SEM-11_15.PDB 3.08000 -38.94000 -12.45000 -65.30000 -2.52000 80.48000 -85.06000 9.79000 32.95000 84.42000 0.00000 0.00000 0.00000 2.83000 16.75000 0.00000 -2.12000 0.00000 -1.01000 0.00000 0.00000 62.00000 HSE1_1SEM-11_16.PDB 1.76000 -39.38000 -13.94000 -66.12000 -1.56000 79.92000 -86.44000 10.26000 34.70000 84.31000 0.00000 0.00000 0.00000 3.00000 16.88000 0.00000 -2.54000 0.00000 -0.45000 0.00000 0.00000 62.00000 HSE1_1SEM-11_17.PDB 3.22000 -40.49000 -11.63000 -65.73000 -1.99000 80.21000 -85.72000 10.98000 32.55000 85.02000 0.00000 0.00000 0.00000 3.11000 16.53000 0.00000 -2.37000 0.00000 -0.71000 0.00000 0.00000 62.00000 HSE1_1SEM-11_18.PDB 5.01000 -40.44000 -13.43000 -67.00000 -3.35000 84.17000 -86.24000 10.16000 34.82000 86.30000 0.00000 0.00000 0.00000 3.66000 17.10000 0.00000 -2.42000 0.00000 -1.21000 0.00000 0.00000 62.00000 HSE1_1SEM-11_19.PDB 4.94000 -40.19000 -12.96000 -65.22000 -1.47000 80.01000 -84.92000 10.03000 33.40000 85.91000 0.00000 0.00000 0.00000 3.28000 16.65000 0.00000 -2.39000 0.00000 -0.56000 0.00000 0.00000 62.00000 HSE1_1SEM-11_20.PDB 1.23000 -40.80000 -13.60000 -65.72000 -2.07000 80.87000 -85.37000 10.38000 33.30000 84.69000 0.00000 0.00000 0.00000 3.03000 16.73000 0.00000 -2.75000 0.00000 -0.74000 0.00000 0.00000 62.00000 HSE1_1SEM-11_21.PDB 4.34000 -39.61000 -15.78000 -67.71000 -3.45000 85.13000 -87.07000 9.59000 35.83000 87.30000 0.00000 0.00000 0.00000 4.15000 17.33000 0.00000 -2.84000 0.00000 -1.19000 0.00000 0.00000 62.00000 HSE1_1SEM-11_22.PDB 4.20000 -40.40000 -13.11000 -64.98000 -1.69000 79.78000 -84.78000 9.75000 33.12000 86.61000 0.00000 0.00000 0.00000 3.53000 16.70000 0.00000 -2.85000 0.00000 -0.77000 0.00000 0.00000 62.00000 HSE1_1SEM-11_23.PDB 3.34000 -40.05000 -14.53000 -65.81000 -1.82000 81.08000 -85.67000 10.66000 33.57000 85.56000 0.00000 0.00000 0.00000 3.29000 16.82000 0.00000 -2.34000 0.00000 -0.60000 0.00000 0.00000 62.00000 HSE1_1SEM-11_24.PDB 3.23000 -40.32000 -13.06000 -66.20000 -2.10000 80.63000 -86.09000 10.38000 33.35000 86.76000 0.00000 0.00000 0.00000 3.49000 16.68000 0.00000 -2.81000 0.00000 -0.81000 0.00000 0.00000 62.00000 HSE1_1SEM-11_25.PDB 1.75000 -40.53000 -11.39000 -65.62000 -1.85000 80.29000 -85.93000 8.93000 32.66000 84.87000 0.00000 0.00000 0.00000 3.08000 16.85000 0.00000 -2.15000 0.00000 -0.62000 0.00000 0.00000 62.00000 HSE1_1SEM-11_26.PDB 3.44000 -40.16000 -14.12000 -66.98000 -3.41000 82.86000 -86.62000 10.00000 35.77000 86.68000 0.00000 0.00000 0.00000 3.73000 16.88000 0.00000 -2.72000 0.00000 -1.58000 0.00000 0.00000 62.00000 HSE1_1SEM-11_27.PDB 0.86000 -40.50000 -13.42000 -66.89000 -2.06000 81.82000 -86.64000 10.84000 33.52000 84.46000 0.00000 0.00000 0.00000 3.19000 17.09000 0.00000 -2.81000 0.00000 -0.66000 0.00000 0.00000 62.00000 HSE1_1SEM-11_28.PDB 4.76000 -39.80000 -13.61000 -66.80000 -3.40000 83.10000 -86.13000 9.89000 34.92000 87.03000 0.00000 0.00000 0.00000 3.91000 16.92000 0.00000 -2.74000 0.00000 -1.60000 0.00000 0.00000 62.00000 HSE1_1SEM-11_29.PDB 3.88000 -39.40000 -12.35000 -65.74000 -3.06000 80.83000 -85.40000 9.33000 33.43000 85.83000 0.00000 0.00000 0.00000 3.92000 16.71000 0.00000 -2.31000 0.00000 -1.21000 0.00000 0.00000 62.00000 HSE1_1SEM-11_30.PDB 4.11000 -40.27000 -13.02000 -66.69000 -1.90000 81.04000 -86.64000 10.40000 34.23000 86.94000 0.00000 0.00000 0.00000 3.33000 17.06000 0.00000 -2.45000 0.00000 -0.85000 0.00000 0.00000 62.00000