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-7_1.PDB 3.99868 -7.37000 -1.76000 -3.75000 -7.07000 -1.86000 8.45000 -8.84000 1.33000 5.56000 2.67000 0.00000 0.00000 0.00000 0.14000 0.47000 0.00000 -0.93000 0.00000 -1.30000 0.00000 2.38000 63.00000 HSE1_1SEM-7_2.PDB 3.77946 -7.61000 -2.03000 -4.54000 -7.60000 -2.13000 9.63000 -9.67000 2.32000 6.03000 2.84000 0.00000 0.00000 0.00000 0.16000 0.61000 0.00000 -1.01000 0.00000 -1.60000 0.00000 2.38000 63.00000 HSE1_1SEM-7_3.PDB 2.60844 -6.52000 -2.16000 -4.20000 -7.27000 -1.90000 9.24000 -9.09000 2.14000 5.94000 3.01000 0.00000 0.00000 0.00000 0.13000 0.41000 0.00000 -0.97000 0.00000 -1.41000 0.00000 2.38000 63.00000 HSE1_1SEM-7_4.PDB 3.32371 -7.55000 -1.72000 -3.45000 -8.11000 -1.75000 9.00000 -10.62000 3.13000 5.89000 2.70000 0.00000 0.00000 0.00000 0.15000 0.44000 0.00000 -1.10000 0.00000 -1.68000 0.00000 2.38000 63.00000 HSE1_1SEM-7_5.PDB 2.71068 -6.25000 -2.16000 -4.01000 -6.79000 -1.47000 8.30000 -8.53000 2.25000 5.63000 2.52000 0.00000 0.00000 0.00000 0.09000 0.40000 0.00000 -0.95000 0.00000 -1.16000 0.00000 2.38000 63.00000 HSE1_1SEM-7_6.PDB 3.10137 -7.43000 -1.07000 -4.59000 -7.63000 -2.06000 8.89000 -9.82000 2.20000 6.32000 2.81000 0.00000 0.00000 0.00000 0.09000 0.55000 0.00000 -0.90000 0.00000 -1.64000 0.00000 2.38000 63.00000 HSE1_1SEM-7_7.PDB 3.74212 -6.26000 -1.25000 -4.10000 -6.97000 -1.29000 7.25000 -8.93000 2.81000 5.56000 2.32000 0.00000 0.00000 0.00000 0.10000 0.27000 0.00000 -0.68000 0.00000 -1.08000 0.00000 2.38000 63.00000 HSE1_1SEM-7_8.PDB 4.28235 -8.19000 -1.81000 -3.41000 -8.09000 -2.20000 9.51000 -10.27000 1.48000 5.80000 2.87000 0.00000 0.00000 0.00000 0.37000 0.58000 0.00000 -0.63000 0.00000 -1.81000 0.00000 2.38000 63.00000 HSE1_1SEM-7_9.PDB 2.45292 -7.43000 -2.15000 -4.22000 -6.94000 -1.82000 8.49000 -8.67000 2.09000 5.51000 2.65000 0.00000 0.00000 0.00000 0.13000 0.42000 0.00000 -1.12000 0.00000 -1.38000 0.00000 2.38000 63.00000 HSE1_1SEM-7_10.PDB 3.85977 -7.40000 -1.71000 -3.72000 -8.04000 -2.09000 10.03000 -10.19000 1.74000 6.19000 2.95000 0.00000 0.00000 0.00000 0.13000 0.61000 0.00000 -1.04000 0.00000 -1.65000 0.00000 2.38000 63.00000 HSE1_1SEM-7_11.PDB 2.55540 -9.03000 -2.20000 -4.15000 -7.02000 -1.81000 8.58000 -8.43000 0.93000 5.39000 2.65000 0.00000 0.00000 0.00000 0.10000 0.34000 0.00000 -1.75000 0.00000 -1.32000 0.00000 2.38000 63.00000 HSE1_1SEM-7_12.PDB 3.34418 -8.65000 -1.73000 -3.89000 -7.99000 -2.02000 9.74000 -9.88000 1.12000 5.92000 2.76000 0.00000 0.00000 0.00000 0.15000 0.54000 0.00000 -1.23000 0.00000 -1.60000 0.00000 2.38000 63.00000 HSE1_1SEM-7_13.PDB 2.55459 -4.50000 -1.42000 -3.92000 -6.93000 -1.29000 7.04000 -8.98000 5.18000 5.40000 2.26000 0.00000 0.00000 0.00000 0.06000 0.30000 0.00000 -0.74000 0.00000 -1.15000 0.00000 2.38000 63.00000 HSE1_1SEM-7_14.PDB 3.08223 -9.13000 -2.21000 -5.33000 -7.68000 -3.07000 9.86000 -8.80000 1.59000 6.54000 2.50000 0.00000 0.00000 0.00000 0.16000 0.42000 0.00000 -0.78000 0.00000 -1.93000 0.00000 2.38000 63.00000 HSE1_1SEM-7_15.PDB 3.16698 -6.49000 -1.01000 -3.57000 -7.78000 -1.99000 8.74000 -10.04000 2.61000 6.20000 2.90000 0.00000 0.00000 0.00000 0.10000 0.62000 0.00000 -0.90000 0.00000 -1.76000 0.00000 2.38000 63.00000 HSE1_1SEM-7_16.PDB 4.30339 -10.54000 -1.84000 -5.13000 -8.58000 -3.13000 10.75000 -10.20000 1.31000 6.72000 2.80000 0.00000 0.00000 0.00000 0.23000 0.64000 0.00000 -1.29000 0.00000 -2.17000 0.00000 2.38000 63.00000 HSE1_1SEM-7_17.PDB 2.58275 -8.32000 -2.20000 -4.22000 -7.10000 -1.87000 8.68000 -8.52000 0.95000 5.50000 2.75000 0.00000 0.00000 0.00000 0.15000 0.34000 0.00000 -1.05000 0.00000 -1.38000 0.00000 2.38000 63.00000 HSE1_1SEM-7_18.PDB 2.98365 -8.39000 -0.22000 -2.62000 -8.36000 -3.09000 9.53000 -10.46000 1.32000 6.36000 1.94000 0.00000 0.00000 0.00000 0.10000 0.56000 0.00000 -0.70000 0.00000 -2.20000 0.00000 2.38000 63.00000 HSE1_1SEM-7_19.PDB 3.50513 -7.79000 -1.46000 -5.30000 -6.99000 -2.36000 8.38000 -8.27000 1.88000 6.41000 2.51000 0.00000 0.00000 0.00000 0.09000 0.47000 0.00000 -0.97000 0.00000 -1.70000 0.00000 2.38000 63.00000 HSE1_1SEM-7_20.PDB 3.99475 -9.43000 -1.71000 -4.15000 -8.44000 -3.57000 10.46000 -9.99000 2.20000 7.11000 2.82000 0.00000 0.00000 0.00000 0.12000 0.60000 0.00000 -1.60000 0.00000 -2.68000 0.00000 2.38000 63.00000 HSE1_1SEM-7_21.PDB 2.64500 -6.83000 -2.15000 -3.39000 -6.66000 -0.90000 7.31000 -8.26000 1.03000 5.07000 3.05000 0.00000 0.00000 0.00000 0.10000 0.25000 0.00000 -1.15000 0.00000 -0.88000 0.00000 2.38000 63.00000 HSE1_1SEM-7_22.PDB 3.46391 -8.00000 -2.26000 -4.68000 -6.87000 -1.70000 8.44000 -8.53000 1.34000 5.67000 2.43000 0.00000 0.00000 0.00000 0.14000 0.40000 0.00000 -0.75000 0.00000 -1.23000 0.00000 2.38000 63.00000 HSE1_1SEM-7_23.PDB 3.09287 -8.75000 -2.14000 -4.28000 -7.86000 -1.88000 9.77000 -9.59000 1.18000 5.94000 3.11000 0.00000 0.00000 0.00000 0.13000 0.48000 0.00000 -1.59000 0.00000 -1.53000 0.00000 2.38000 63.00000 HSE1_1SEM-7_24.PDB 2.96366 -7.26000 -2.15000 -5.12000 -7.40000 -2.12000 8.81000 -8.73000 2.95000 6.41000 2.31000 0.00000 0.00000 0.00000 0.09000 0.40000 0.00000 -0.84000 0.00000 -1.47000 0.00000 2.38000 63.00000 HSE1_1SEM-7_25.PDB 3.68638 -8.72000 -1.90000 -4.54000 -8.14000 -2.66000 9.72000 -9.76000 2.12000 6.76000 2.57000 0.00000 0.00000 0.00000 0.12000 0.52000 0.00000 -1.10000 0.00000 -1.91000 0.00000 2.38000 63.00000 HSE1_1SEM-7_26.PDB 2.60434 -8.15000 -2.20000 -3.80000 -7.07000 -1.47000 8.81000 -8.42000 0.96000 5.38000 2.67000 0.00000 0.00000 0.00000 0.14000 0.30000 0.00000 -1.80000 0.00000 -1.33000 0.00000 2.38000 63.00000 HSE1_1SEM-7_27.PDB 3.39788 -7.25000 -1.85000 -4.00000 -7.67000 -2.21000 9.52000 -9.70000 2.29000 5.96000 2.75000 0.00000 0.00000 0.00000 0.12000 0.57000 0.00000 -0.81000 0.00000 -1.65000 0.00000 2.38000 63.00000 HSE1_1SEM-7_28.PDB 2.45170 -5.06000 -0.59000 -1.36000 -7.39000 -2.81000 8.55000 -8.96000 1.86000 5.43000 2.23000 0.00000 0.00000 0.00000 0.09000 0.34000 0.00000 -0.22000 0.00000 -1.89000 0.00000 2.38000 63.00000 HSE1_1SEM-7_29.PDB 3.40255 -7.95000 -1.97000 -3.60000 -8.05000 -1.82000 9.39000 -10.01000 2.00000 5.63000 3.06000 0.00000 0.00000 0.00000 0.15000 0.52000 0.00000 -1.12000 0.00000 -1.61000 0.00000 2.38000 63.00000 HSE1_1SEM-7_30.PDB 2.52923 -6.10000 -2.14000 -3.40000 -7.08000 -1.91000 8.88000 -8.82000 1.99000 5.64000 2.91000 0.00000 0.00000 0.00000 0.14000 0.44000 0.00000 -0.88000 0.00000 -1.45000 0.00000 2.38000 63.00000