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-23_1.PDB 3.64281 -9.37000 -0.80000 -3.91000 -5.73000 -1.88000 5.85000 -7.37000 0.54000 4.49000 1.64000 0.00000 0.00000 0.00000 0.10000 0.45000 0.00000 -0.57000 0.00000 -1.73000 0.00000 2.38000 62.00000 HSE1_1SEM-23_2.PDB 3.40110 -7.44000 -2.33000 -2.30000 -6.96000 -1.72000 7.50000 -8.80000 1.55000 4.63000 2.76000 0.00000 0.00000 0.00000 0.25000 0.52000 0.00000 -0.65000 0.00000 -1.37000 0.00000 2.38000 62.00000 HSE1_1SEM-23_3.PDB 3.92583 -7.74000 -0.80000 -3.20000 -5.88000 -1.90000 6.05000 -7.67000 0.63000 4.67000 1.94000 0.00000 0.00000 0.00000 0.09000 0.47000 0.00000 -0.12000 0.00000 -1.56000 0.00000 2.38000 62.00000 HSE1_1SEM-23_4.PDB 4.74832 -8.22000 -0.83000 -1.57000 -7.03000 -3.14000 7.43000 -8.76000 0.63000 5.33000 1.95000 0.00000 0.00000 0.00000 0.18000 0.45000 0.00000 -0.20000 0.00000 -2.21000 0.00000 2.38000 62.00000 HSE1_1SEM-23_5.PDB 4.80973 -9.40000 -2.21000 -4.90000 -6.94000 -3.62000 8.48000 -8.02000 1.48000 6.11000 2.49000 0.00000 0.00000 0.00000 0.27000 0.72000 0.00000 -0.23000 0.00000 -2.31000 0.00000 2.38000 62.00000 HSE1_1SEM-23_6.PDB 3.12603 -7.84000 -0.83000 -2.82000 -6.79000 -2.35000 6.82000 -8.73000 0.26000 6.35000 2.57000 0.00000 0.00000 0.00000 0.18000 0.47000 0.00000 -0.49000 0.00000 -2.02000 0.00000 2.38000 62.00000 HSE1_1SEM-23_7.PDB 4.51211 -8.12000 -2.20000 -4.94000 -5.74000 -3.29000 7.75000 -6.02000 1.44000 5.22000 2.21000 0.00000 0.00000 0.00000 0.30000 0.16000 0.00000 -0.70000 0.00000 -2.15000 0.00000 2.38000 62.00000 HSE1_1SEM-23_8.PDB 3.25192 -7.89000 -2.33000 -2.63000 -7.01000 -2.23000 7.60000 -8.80000 1.59000 5.19000 2.90000 0.00000 0.00000 0.00000 0.25000 0.66000 0.00000 -0.73000 0.00000 -1.68000 0.00000 2.38000 62.00000 HSE1_1SEM-23_9.PDB 4.77194 -8.77000 -2.30000 -3.49000 -6.41000 -3.60000 8.46000 -7.00000 0.46000 5.55000 2.61000 0.00000 0.00000 0.00000 0.30000 0.18000 0.00000 -0.94000 0.00000 -2.42000 0.00000 2.38000 62.00000 HSE1_1SEM-23_10.PDB 4.84682 -10.64000 -2.29000 -5.01000 -7.00000 -3.63000 8.74000 -8.10000 0.99000 6.14000 2.29000 0.00000 0.00000 0.00000 0.26000 0.69000 0.00000 -0.69000 0.00000 -2.34000 0.00000 2.38000 62.00000 HSE1_1SEM-23_11.PDB 3.95761 -7.03000 -0.76000 -1.52000 -6.01000 -1.92000 6.12000 -7.78000 0.37000 4.38000 2.13000 0.00000 0.00000 0.00000 0.10000 0.46000 0.00000 -0.47000 0.00000 -1.66000 0.00000 2.38000 62.00000 HSE1_1SEM-23_12.PDB 3.69964 -8.04000 -2.16000 -4.92000 -5.83000 -3.61000 8.02000 -6.12000 1.59000 5.34000 2.14000 0.00000 0.00000 0.00000 0.20000 0.17000 0.00000 -0.34000 0.00000 -2.34000 0.00000 2.38000 62.00000 HSE1_1SEM-23_13.PDB 4.69444 -8.87000 -2.36000 -3.04000 -7.50000 -3.05000 8.55000 -9.00000 1.43000 6.05000 2.81000 0.00000 0.00000 0.00000 0.30000 0.67000 0.00000 -0.88000 0.00000 -2.17000 0.00000 2.38000 62.00000 HSE1_1SEM-23_14.PDB 3.71501 -7.70000 -2.18000 -3.11000 -6.25000 -3.63000 8.06000 -6.73000 1.47000 5.39000 2.56000 0.00000 0.00000 0.00000 0.25000 0.18000 0.00000 -1.11000 0.00000 -2.42000 0.00000 2.38000 62.00000 HSE1_1SEM-23_15.PDB 4.91484 -9.82000 -2.30000 -4.99000 -7.11000 -3.39000 8.99000 -8.27000 1.49000 5.98000 2.31000 0.00000 0.00000 0.00000 0.26000 0.63000 0.00000 -0.69000 0.00000 -2.10000 0.00000 2.38000 62.00000 HSE1_1SEM-23_16.PDB 3.44067 -9.83000 -0.85000 -3.45000 -6.99000 -3.11000 7.51000 -8.65000 0.86000 6.25000 1.84000 0.00000 0.00000 0.00000 0.13000 0.48000 0.00000 -1.16000 0.00000 -2.20000 0.00000 2.38000 62.00000 HSE1_1SEM-23_17.PDB 3.69171 -11.04000 -0.72000 -4.96000 -6.74000 -3.42000 7.80000 -8.06000 0.37000 6.51000 1.75000 0.00000 0.00000 0.00000 0.14000 0.54000 0.00000 -1.43000 0.00000 -2.27000 0.00000 2.38000 62.00000 HSE1_1SEM-23_18.PDB 2.94470 -8.16000 -0.81000 -1.44000 -6.37000 -2.43000 6.25000 -8.24000 0.68000 4.49000 2.21000 0.00000 0.00000 0.00000 0.16000 0.58000 0.00000 -0.65000 0.00000 -2.01000 0.00000 2.38000 62.00000 HSE1_1SEM-23_19.PDB 5.40588 -8.49000 -0.76000 -3.59000 -6.37000 -2.99000 7.29000 -7.71000 0.16000 5.83000 1.98000 0.00000 0.00000 0.00000 0.22000 0.68000 0.00000 -0.39000 0.00000 -2.15000 0.00000 2.38000 62.00000 HSE1_1SEM-23_20.PDB 4.50359 -8.13000 -2.29000 -5.05000 -5.94000 -3.58000 8.08000 -6.18000 1.38000 5.31000 2.72000 0.00000 0.00000 0.00000 0.27000 0.22000 0.00000 -0.45000 0.00000 -2.40000 0.00000 2.38000 62.00000 HSE1_1SEM-23_21.PDB 3.18299 -9.60000 -0.80000 -4.13000 -6.66000 -2.22000 6.69000 -8.43000 1.40000 4.99000 1.68000 0.00000 0.00000 0.00000 0.16000 0.51000 0.00000 -0.58000 0.00000 -1.69000 0.00000 2.38000 62.00000 HSE1_1SEM-23_22.PDB 3.47405 -9.20000 -0.84000 -2.28000 -7.92000 -3.93000 8.75000 -9.56000 0.65000 6.46000 2.11000 0.00000 0.00000 0.00000 0.16000 0.58000 0.00000 -0.34000 0.00000 -2.46000 0.00000 2.38000 62.00000 HSE1_1SEM-23_23.PDB 4.74076 -8.12000 -0.80000 -3.18000 -7.03000 -3.16000 7.63000 -8.48000 1.45000 6.18000 1.90000 0.00000 0.00000 0.00000 0.15000 0.74000 0.00000 -0.62000 0.00000 -2.14000 0.00000 2.38000 62.00000 HSE1_1SEM-23_24.PDB 2.77499 -6.67000 -0.78000 -1.57000 -6.15000 -3.57000 6.96000 -6.86000 1.43000 4.36000 2.17000 0.00000 0.00000 0.00000 0.18000 0.32000 0.00000 -0.54000 0.00000 -2.31000 0.00000 2.38000 62.00000 HSE1_1SEM-23_25.PDB 3.29854 -6.54000 -0.78000 -2.05000 -6.84000 -2.00000 6.76000 -8.82000 1.18000 5.54000 2.53000 0.00000 0.00000 0.00000 0.12000 0.48000 0.00000 -0.52000 0.00000 -1.65000 0.00000 2.38000 62.00000 HSE1_1SEM-23_26.PDB 3.21209 -6.87000 -0.78000 -1.61000 -5.44000 -2.89000 6.17000 -6.16000 0.33000 4.29000 1.71000 0.00000 0.00000 0.00000 0.17000 0.09000 0.00000 -0.44000 0.00000 -2.23000 0.00000 2.38000 62.00000 HSE1_1SEM-23_27.PDB 4.24983 -9.56000 -0.78000 -3.49000 -6.44000 -3.26000 7.17000 -7.80000 0.47000 5.61000 1.65000 0.00000 0.00000 0.00000 0.13000 0.53000 0.00000 -0.58000 0.00000 -2.25000 0.00000 2.38000 62.00000 HSE1_1SEM-23_28.PDB 5.16037 -9.44000 -0.82000 -4.31000 -6.60000 -3.09000 7.54000 -7.83000 0.41000 5.81000 1.81000 0.00000 0.00000 0.00000 0.17000 0.60000 0.00000 -0.41000 0.00000 -2.11000 0.00000 2.38000 62.00000 HSE1_1SEM-23_29.PDB 3.27497 -9.97000 -0.82000 -5.07000 -7.70000 -4.48000 9.03000 -8.91000 1.45000 6.87000 2.14000 0.00000 0.00000 0.00000 0.18000 0.63000 0.00000 -0.25000 0.00000 -2.41000 0.00000 2.38000 62.00000 HSE1_1SEM-23_30.PDB 4.16494 -8.52000 -0.89000 -1.66000 -7.21000 -3.24000 7.52000 -8.92000 0.56000 5.55000 2.08000 0.00000 0.00000 0.00000 0.14000 0.53000 0.00000 -0.24000 0.00000 -2.22000 0.00000 2.38000 62.00000