name Intraclash total energy Backbone Hbond 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-12_1.PDB 3.21300 -7.29000 -2.86000 -3.25000 -6.67000 -2.92000 9.75000 -7.79000 1.53000 4.30000 2.97000 0.00000 0.00000 0.00000 0.09000 0.43000 0.00000 -0.53000 0.00000 -1.92000 0.00000 2.38000 63.00000 HSE1_1SEM-12_2.PDB 2.95415 -8.63000 -2.77000 -2.80000 -6.45000 -2.92000 8.67000 -7.96000 1.67000 4.37000 2.48000 0.00000 0.00000 0.00000 0.03000 0.66000 0.00000 -0.97000 0.00000 -1.99000 0.00000 2.38000 63.00000 HSE1_1SEM-12_3.PDB 3.10667 -7.17000 -2.70000 -2.76000 -5.58000 -2.63000 8.11000 -6.55000 1.59000 3.69000 2.82000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -1.26000 0.00000 -1.93000 0.00000 2.38000 63.00000 HSE1_1SEM-12_4.PDB 3.01927 -6.91000 -2.77000 -2.81000 -6.10000 -2.11000 8.06000 -7.30000 1.42000 3.74000 2.78000 0.00000 0.00000 0.00000 0.06000 0.32000 0.00000 -0.62000 0.00000 -1.28000 0.00000 2.38000 63.00000 HSE1_1SEM-12_5.PDB 3.30416 -7.29000 -2.87000 -2.93000 -6.76000 -2.40000 9.10000 -8.01000 1.49000 4.16000 3.05000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -0.62000 0.00000 -1.59000 0.00000 2.38000 63.00000 HSE1_1SEM-12_6.PDB 3.20624 -8.78000 -2.89000 -2.93000 -6.53000 -2.42000 8.23000 -8.15000 1.66000 4.39000 2.01000 0.00000 0.00000 0.00000 0.11000 0.63000 0.00000 -0.59000 0.00000 -1.66000 0.00000 2.38000 63.00000 HSE1_1SEM-12_7.PDB 3.31853 -7.49000 -2.10000 -2.11000 -6.40000 -3.23000 7.88000 -8.00000 2.10000 4.25000 2.90000 0.00000 0.00000 0.00000 0.10000 0.34000 0.00000 -0.73000 0.00000 -2.13000 0.00000 2.38000 63.00000 HSE1_1SEM-12_8.PDB 2.97220 -7.11000 -2.84000 -3.11000 -6.04000 -3.17000 9.20000 -6.94000 1.68000 3.89000 2.93000 0.00000 0.00000 0.00000 0.06000 0.52000 0.00000 -0.71000 0.00000 -2.07000 0.00000 2.38000 63.00000 HSE1_1SEM-12_9.PDB 3.35110 -8.95000 -1.93000 -3.26000 -6.64000 -3.05000 8.77000 -8.01000 0.40000 4.92000 2.57000 0.00000 0.00000 0.00000 0.09000 0.36000 0.00000 -0.75000 0.00000 -2.09000 0.00000 2.38000 63.00000 HSE1_1SEM-12_10.PDB 5.27686 -10.52000 -2.79000 -2.90000 -6.98000 -3.11000 8.79000 -8.36000 0.14000 4.83000 2.27000 0.00000 0.00000 0.00000 0.13000 0.31000 0.00000 -0.68000 0.00000 -1.88000 0.00000 2.38000 63.00000 HSE1_1SEM-12_11.PDB 4.86660 -10.35000 -2.85000 -2.95000 -7.12000 -3.26000 9.11000 -8.42000 0.22000 4.77000 3.21000 0.00000 0.00000 0.00000 0.15000 0.54000 0.00000 -1.10000 0.00000 -2.11000 0.00000 2.38000 63.00000 HSE1_1SEM-12_12.PDB 4.47101 -10.37000 -2.85000 -2.91000 -6.64000 -2.68000 7.92000 -8.13000 0.29000 4.42000 2.84000 0.00000 0.00000 0.00000 0.10000 0.37000 0.00000 -1.00000 0.00000 -1.73000 0.00000 2.38000 63.00000 HSE1_1SEM-12_13.PDB 4.46432 -10.17000 -2.83000 -2.88000 -6.84000 -2.80000 8.10000 -8.43000 0.28000 4.72000 2.99000 0.00000 0.00000 0.00000 0.19000 0.30000 0.00000 -0.78000 0.00000 -1.88000 0.00000 2.38000 63.00000 HSE1_1SEM-12_14.PDB 5.06251 -9.67000 -2.84000 -2.95000 -6.66000 -2.58000 8.25000 -7.99000 0.26000 4.24000 2.69000 0.00000 0.00000 0.00000 0.13000 0.20000 0.00000 -0.69000 0.00000 -1.54000 0.00000 2.38000 63.00000 HSE1_1SEM-12_15.PDB 4.21750 -10.40000 -2.80000 -2.86000 -7.11000 -2.95000 8.70000 -8.57000 0.31000 4.62000 3.18000 0.00000 0.00000 0.00000 0.13000 0.43000 0.00000 -1.06000 0.00000 -1.99000 0.00000 2.38000 63.00000 HSE1_1SEM-12_16.PDB 4.50507 -11.13000 -2.85000 -2.93000 -6.56000 -2.91000 7.78000 -8.04000 0.20000 4.26000 2.25000 0.00000 0.00000 0.00000 0.17000 0.36000 0.00000 -0.76000 0.00000 -1.75000 0.00000 2.38000 63.00000 HSE1_1SEM-12_17.PDB 4.10431 -9.02000 -2.86000 -3.02000 -6.83000 -3.56000 9.52000 -8.03000 1.67000 4.23000 2.52000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.69000 0.00000 -2.04000 0.00000 2.38000 63.00000 HSE1_1SEM-12_18.PDB 3.13841 -7.27000 -2.86000 -4.98000 -5.94000 -2.47000 9.28000 -6.47000 1.59000 4.24000 2.19000 0.00000 0.00000 0.00000 0.09000 0.41000 0.00000 -0.30000 0.00000 -1.65000 0.00000 2.38000 63.00000 HSE1_1SEM-12_19.PDB 4.26038 -10.01000 -2.86000 -2.92000 -6.61000 -3.27000 9.24000 -7.58000 0.24000 4.44000 2.08000 0.00000 0.00000 0.00000 0.12000 0.32000 0.00000 -0.78000 0.00000 -2.12000 0.00000 2.38000 63.00000 HSE1_1SEM-12_20.PDB 4.27710 -9.72000 -2.87000 -2.93000 -6.37000 -2.64000 8.06000 -7.60000 0.19000 4.34000 3.50000 0.00000 0.00000 0.00000 0.09000 0.33000 0.00000 -1.60000 0.00000 -1.88000 0.00000 2.38000 63.00000 HSE1_1SEM-12_21.PDB 3.37448 -7.59000 -2.81000 -2.87000 -5.87000 -2.80000 8.34000 -6.89000 1.58000 3.92000 2.61000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.79000 0.00000 -2.07000 0.00000 2.38000 63.00000 HSE1_1SEM-12_22.PDB 3.33330 -9.18000 -2.76000 -4.36000 -6.61000 -2.78000 8.80000 -8.03000 1.52000 4.75000 2.85000 0.00000 0.00000 0.00000 0.10000 0.69000 0.00000 -0.62000 0.00000 -2.05000 0.00000 2.38000 63.00000 HSE1_1SEM-12_23.PDB 3.62422 -8.54000 -2.92000 -2.95000 -5.99000 -2.21000 7.14000 -7.69000 1.42000 3.78000 3.30000 0.00000 0.00000 0.00000 0.06000 0.37000 0.00000 -0.82000 0.00000 -1.66000 0.00000 2.38000 63.00000 HSE1_1SEM-12_24.PDB 3.49495 -7.60000 -2.86000 -4.50000 -6.33000 -2.81000 9.55000 -7.14000 1.54000 4.30000 3.10000 0.00000 0.00000 0.00000 0.17000 0.46000 0.00000 -0.55000 0.00000 -2.07000 0.00000 2.38000 63.00000 HSE1_1SEM-12_25.PDB 3.77455 -8.56000 -2.85000 -2.96000 -6.58000 -2.73000 8.41000 -8.02000 1.50000 3.99000 2.57000 0.00000 0.00000 0.00000 0.12000 0.31000 0.00000 -0.49000 0.00000 -1.54000 0.00000 2.38000 63.00000 HSE1_1SEM-12_26.PDB 2.93238 -8.16000 -2.75000 -5.29000 -5.74000 -2.51000 9.07000 -6.41000 1.46000 3.75000 2.18000 0.00000 0.00000 0.00000 0.09000 0.35000 0.00000 -0.43000 0.00000 -1.58000 0.00000 2.38000 63.00000 HSE1_1SEM-12_27.PDB 3.11061 -5.72000 -2.39000 -2.85000 -5.74000 -2.48000 8.56000 -6.57000 1.55000 3.53000 2.76000 0.00000 0.00000 0.00000 0.04000 0.42000 0.00000 -0.52000 0.00000 -1.61000 0.00000 2.38000 63.00000 HSE1_1SEM-12_28.PDB 4.68522 -8.62000 -2.85000 -4.61000 -6.60000 -2.98000 9.11000 -7.66000 1.78000 4.62000 2.48000 0.00000 0.00000 0.00000 0.07000 0.31000 0.00000 -0.15000 0.00000 -1.82000 0.00000 2.38000 63.00000 HSE1_1SEM-12_29.PDB 3.68890 -9.61000 -2.79000 -2.90000 -6.76000 -3.38000 8.95000 -8.19000 1.55000 4.07000 2.22000 0.00000 0.00000 0.00000 0.15000 0.51000 0.00000 -0.58000 0.00000 -1.93000 0.00000 2.38000 63.00000 HSE1_1SEM-12_30.PDB 3.37397 -9.31000 -2.74000 -2.80000 -6.80000 -3.33000 8.56000 -8.41000 1.57000 4.24000 2.88000 0.00000 0.00000 0.00000 0.15000 0.43000 0.00000 -0.61000 0.00000 -2.03000 0.00000 2.38000 63.00000