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-21_1.PDB 6.77663 -8.42000 -2.53000 -5.68000 -7.27000 -4.21000 11.07000 -7.38000 1.51000 7.41000 2.58000 0.00000 0.00000 0.00000 0.99000 0.94000 0.00000 -2.02000 0.00000 -2.90000 0.00000 2.38000 65.00000 HSE1_1SEM-21_2.PDB 4.01567 -6.12000 -3.80000 -3.79000 -6.79000 -2.63000 10.18000 -6.81000 1.67000 6.58000 1.86000 0.00000 0.00000 0.00000 0.24000 1.20000 0.00000 -0.78000 0.00000 -2.04000 0.00000 2.38000 65.00000 HSE1_1SEM-21_3.PDB 8.12513 -6.83000 -2.21000 -5.17000 -6.54000 -3.49000 10.08000 -6.86000 2.24000 6.15000 2.33000 0.00000 0.00000 0.00000 0.14000 1.02000 0.00000 -1.07000 0.00000 -2.44000 0.00000 2.38000 65.00000 HSE1_1SEM-21_4.PDB 6.80729 -5.89000 -2.27000 -3.43000 -6.78000 -3.73000 10.24000 -7.25000 2.84000 5.51000 2.27000 0.00000 0.00000 0.00000 0.13000 1.20000 0.00000 -0.94000 0.00000 -2.49000 0.00000 2.38000 65.00000 HSE1_1SEM-21_5.PDB 7.20981 -8.61000 -2.16000 -6.40000 -6.72000 -3.75000 10.76000 -6.85000 0.80000 7.22000 2.07000 0.00000 0.00000 0.00000 0.91000 0.80000 0.00000 -1.74000 0.00000 -2.77000 0.00000 2.38000 65.00000 HSE1_1SEM-21_6.PDB 8.08298 -7.29000 -2.25000 -5.14000 -6.37000 -3.45000 9.78000 -6.82000 2.27000 5.98000 2.20000 0.00000 0.00000 0.00000 0.16000 0.96000 0.00000 -1.15000 0.00000 -2.51000 0.00000 2.38000 65.00000 HSE1_1SEM-21_7.PDB 5.96945 -10.17000 -4.46000 -6.18000 -7.28000 -3.51000 11.07000 -7.15000 0.83000 7.56000 2.77000 0.00000 0.00000 0.00000 0.27000 1.05000 0.00000 -1.64000 0.00000 -2.45000 0.00000 2.38000 65.00000 HSE1_1SEM-21_8.PDB 5.60146 -7.77000 -2.19000 -4.85000 -6.88000 -3.98000 10.54000 -7.43000 2.47000 5.66000 2.27000 0.00000 0.00000 0.00000 0.18000 1.32000 0.00000 -0.92000 0.00000 -2.64000 0.00000 2.38000 65.00000 HSE1_1SEM-21_9.PDB 6.25616 -6.69000 -2.98000 -5.81000 -6.70000 -3.58000 10.76000 -6.97000 2.14000 7.40000 2.63000 0.00000 0.00000 0.00000 0.15000 1.08000 0.00000 -1.12000 0.00000 -2.63000 0.00000 2.38000 65.00000 HSE1_1SEM-21_10.PDB 6.16963 -7.77000 -2.99000 -7.11000 -6.83000 -3.67000 11.08000 -7.00000 2.12000 7.96000 2.60000 0.00000 0.00000 0.00000 0.14000 1.13000 0.00000 -1.41000 0.00000 -2.65000 0.00000 2.38000 65.00000 HSE1_1SEM-21_11.PDB 8.11939 -9.33000 -2.22000 -6.47000 -7.06000 -3.50000 10.32000 -7.50000 1.03000 7.23000 1.83000 0.00000 0.00000 0.00000 0.93000 0.83000 0.00000 -1.22000 0.00000 -2.71000 0.00000 2.38000 65.00000 HSE1_1SEM-21_12.PDB 8.63171 -7.80000 -2.41000 -6.58000 -7.15000 -3.86000 11.57000 -7.09000 0.96000 7.26000 2.47000 0.00000 0.00000 0.00000 0.97000 1.05000 0.00000 -1.46000 0.00000 -2.46000 0.00000 2.38000 65.00000 HSE1_1SEM-21_13.PDB 4.31269 -6.37000 -3.85000 -4.29000 -6.39000 -2.76000 9.98000 -6.35000 1.52000 6.28000 1.98000 0.00000 0.00000 0.00000 0.26000 1.25000 0.00000 -0.68000 0.00000 -2.05000 0.00000 2.38000 65.00000 HSE1_1SEM-21_14.PDB 6.87444 -9.20000 -3.00000 -7.28000 -7.03000 -3.68000 9.84000 -7.72000 2.47000 8.51000 2.40000 0.00000 0.00000 0.00000 0.25000 0.91000 0.00000 -1.26000 0.00000 -2.70000 0.00000 2.38000 65.00000 HSE1_1SEM-21_15.PDB 7.59447 -8.97000 -3.65000 -7.18000 -7.44000 -3.67000 11.44000 -7.21000 3.00000 7.59000 2.37000 0.00000 0.00000 0.00000 0.37000 0.97000 0.00000 -2.06000 0.00000 -2.53000 0.00000 2.38000 65.00000 HSE1_1SEM-21_16.PDB 6.20721 -7.13000 -2.28000 -5.10000 -6.35000 -3.34000 9.79000 -6.77000 2.17000 6.05000 2.58000 0.00000 0.00000 0.00000 0.14000 1.09000 0.00000 -1.59000 0.00000 -2.42000 0.00000 2.38000 65.00000 HSE1_1SEM-21_17.PDB 7.59228 -8.19000 -3.08000 -6.97000 -6.89000 -3.84000 10.90000 -7.16000 2.15000 7.92000 2.74000 0.00000 0.00000 0.00000 0.16000 1.15000 0.00000 -1.37000 0.00000 -2.75000 0.00000 2.38000 65.00000 HSE1_1SEM-21_18.PDB 7.89984 -9.37000 -2.23000 -6.44000 -7.88000 -3.30000 10.98000 -8.31000 0.92000 7.78000 1.84000 0.00000 0.00000 0.00000 0.83000 1.00000 0.00000 -1.22000 0.00000 -2.36000 0.00000 2.38000 65.00000 HSE1_1SEM-21_19.PDB 6.60662 -5.80000 -2.36000 -5.49000 -6.63000 -3.77000 10.50000 -6.91000 2.30000 7.57000 2.74000 0.00000 0.00000 0.00000 0.11000 1.12000 0.00000 -1.06000 0.00000 -2.80000 0.00000 2.38000 65.00000 HSE1_1SEM-21_20.PDB 4.63387 -6.34000 -3.01000 -2.96000 -6.64000 -2.89000 9.59000 -6.67000 1.45000 6.31000 1.44000 0.00000 0.00000 0.00000 0.26000 1.21000 0.00000 -1.24000 0.00000 -1.98000 0.00000 2.38000 65.00000 HSE1_1SEM-21_21.PDB 6.22850 -8.93000 -3.11000 -5.21000 -7.37000 -4.39000 11.19000 -7.08000 1.75000 7.43000 1.84000 0.00000 0.00000 0.00000 0.32000 1.00000 0.00000 -1.69000 0.00000 -2.59000 0.00000 2.38000 65.00000 HSE1_1SEM-21_22.PDB 7.51397 -9.10000 -2.17000 -7.57000 -6.90000 -4.08000 10.79000 -7.18000 2.15000 7.66000 2.39000 0.00000 0.00000 0.00000 0.16000 1.15000 0.00000 -1.51000 0.00000 -2.85000 0.00000 2.38000 65.00000 HSE1_1SEM-21_23.PDB 8.22330 -10.14000 -3.50000 -5.58000 -7.36000 -3.57000 10.78000 -7.46000 0.83000 6.96000 2.37000 0.00000 0.00000 0.00000 0.27000 0.97000 0.00000 -1.43000 0.00000 -2.47000 0.00000 2.38000 65.00000 HSE1_1SEM-21_24.PDB 7.40644 -6.85000 -2.17000 -6.02000 -6.68000 -3.83000 10.61000 -6.95000 2.16000 7.14000 2.52000 0.00000 0.00000 0.00000 0.13000 1.11000 0.00000 -1.03000 0.00000 -2.73000 0.00000 2.38000 65.00000 HSE1_1SEM-21_25.PDB 5.97406 -9.76000 -4.26000 -6.20000 -7.42000 -3.56000 11.47000 -7.29000 0.81000 7.66000 2.92000 0.00000 0.00000 0.00000 0.25000 1.19000 0.00000 -1.71000 0.00000 -2.42000 0.00000 2.38000 65.00000 HSE1_1SEM-21_26.PDB 5.88777 -8.66000 -2.47000 -6.10000 -6.86000 -3.64000 10.58000 -6.81000 0.85000 7.15000 2.21000 0.00000 0.00000 0.00000 0.80000 1.00000 0.00000 -1.97000 0.00000 -2.41000 0.00000 2.38000 65.00000 HSE1_1SEM-21_27.PDB 7.18060 -9.43000 -2.21000 -7.10000 -7.30000 -4.39000 11.70000 -7.51000 1.14000 7.15000 2.25000 0.00000 0.00000 0.00000 0.88000 1.09000 0.00000 -1.14000 0.00000 -2.90000 0.00000 2.38000 65.00000 HSE1_1SEM-21_28.PDB 7.87194 -8.96000 -2.55000 -6.70000 -7.09000 -3.44000 10.92000 -7.23000 0.73000 7.19000 2.30000 0.00000 0.00000 0.00000 0.86000 0.92000 0.00000 -1.54000 0.00000 -2.40000 0.00000 2.38000 65.00000 HSE1_1SEM-21_29.PDB 7.89668 -8.26000 -2.70000 -5.10000 -7.78000 -3.59000 10.79000 -8.35000 1.77000 8.06000 2.84000 0.00000 0.00000 0.00000 0.23000 0.94000 0.00000 -1.79000 0.00000 -2.65000 0.00000 2.38000 65.00000 HSE1_1SEM-21_30.PDB 7.18631 -7.61000 -2.99000 -6.03000 -6.79000 -3.74000 10.48000 -7.12000 2.30000 7.46000 2.54000 0.00000 0.00000 0.00000 0.18000 1.19000 0.00000 -1.14000 0.00000 -2.76000 0.00000 2.38000 65.00000