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-28_1.PDB 5.74616 -12.52000 -4.19000 -6.87000 -11.46000 -3.08000 14.71000 -13.70000 2.71000 8.62000 3.50000 0.00000 0.00000 0.00000 0.80000 1.41000 0.00000 -1.28000 0.00000 -2.28000 0.00000 2.38000 65.00000 HSE1_1SEM-28_2.PDB 3.80078 -11.57000 -3.66000 -5.49000 -9.84000 -2.50000 12.59000 -11.61000 1.94000 7.47000 2.79000 0.00000 0.00000 0.00000 0.10000 1.01000 0.00000 -1.46000 0.00000 -1.88000 0.00000 2.38000 65.00000 HSE1_1SEM-28_3.PDB 6.11048 -11.41000 -3.75000 -5.74000 -10.76000 -2.08000 13.54000 -13.30000 1.34000 8.46000 3.98000 0.00000 0.00000 0.00000 0.15000 1.20000 0.00000 -1.22000 0.00000 -2.02000 0.00000 2.38000 65.00000 HSE1_1SEM-28_4.PDB 5.00583 -11.51000 -4.28000 -5.82000 -11.63000 -3.83000 15.53000 -13.50000 3.21000 8.52000 4.15000 0.00000 0.00000 0.00000 0.16000 1.25000 0.00000 -1.51000 0.00000 -2.51000 0.00000 2.38000 65.00000 HSE1_1SEM-28_5.PDB 5.29822 -13.07000 -4.04000 -6.49000 -11.43000 -1.79000 13.47000 -14.29000 2.76000 8.37000 3.38000 0.00000 0.00000 0.00000 0.14000 1.47000 0.00000 -1.35000 0.00000 -1.80000 0.00000 2.38000 65.00000 HSE1_1SEM-28_6.PDB 5.89441 -10.58000 -2.89000 -4.52000 -11.83000 -4.12000 15.14000 -14.02000 2.30000 9.31000 4.19000 0.00000 0.00000 0.00000 0.18000 1.25000 0.00000 -1.42000 0.00000 -2.89000 0.00000 2.38000 65.00000 HSE1_1SEM-28_7.PDB 4.79039 -10.24000 -3.00000 -4.30000 -11.00000 -3.38000 14.13000 -12.91000 2.17000 8.71000 3.08000 0.00000 0.00000 0.00000 0.15000 1.02000 0.00000 -1.46000 0.00000 -2.44000 0.00000 2.38000 65.00000 HSE1_1SEM-28_8.PDB 4.18564 -11.17000 -3.97000 -5.93000 -10.81000 -2.53000 13.69000 -13.04000 2.96000 9.01000 3.06000 0.00000 0.00000 0.00000 0.08000 1.24000 0.00000 -1.44000 0.00000 -2.24000 0.00000 2.38000 65.00000 HSE1_1SEM-28_9.PDB 4.73686 -12.07000 -4.94000 -6.41000 -11.24000 -2.02000 14.01000 -13.68000 3.65000 8.48000 3.39000 0.00000 0.00000 0.00000 0.18000 1.05000 0.00000 -1.72000 0.00000 -1.77000 0.00000 2.38000 65.00000 HSE1_1SEM-28_10.PDB 5.24898 -10.59000 -2.99000 -5.39000 -11.39000 -4.04000 15.07000 -13.33000 2.75000 9.13000 3.45000 0.00000 0.00000 0.00000 0.14000 1.21000 0.00000 -1.15000 0.00000 -2.84000 0.00000 2.38000 65.00000 HSE1_1SEM-28_11.PDB 5.22848 -11.50000 -3.45000 -5.87000 -11.34000 -2.52000 13.87000 -13.74000 3.12000 8.35000 3.29000 0.00000 0.00000 0.00000 0.14000 1.31000 0.00000 -1.39000 0.00000 -1.96000 0.00000 2.38000 65.00000 HSE1_1SEM-28_12.PDB 4.90855 -11.89000 -3.90000 -5.54000 -11.40000 -3.78000 15.01000 -13.24000 2.22000 8.36000 3.93000 0.00000 0.00000 0.00000 0.19000 1.15000 0.00000 -1.43000 0.00000 -2.32000 0.00000 2.38000 65.00000 HSE1_1SEM-28_13.PDB 4.31578 -9.23000 -4.39000 -6.01000 -11.10000 -2.25000 14.96000 -13.06000 2.54000 8.32000 5.01000 0.00000 0.00000 0.00000 0.17000 1.44000 0.00000 -1.49000 0.00000 -1.92000 0.00000 2.38000 65.00000 HSE1_1SEM-28_14.PDB 5.85105 -12.12000 -4.82000 -4.84000 -11.16000 -1.62000 13.37000 -13.87000 2.01000 7.60000 3.97000 0.00000 0.00000 0.00000 0.18000 1.30000 0.00000 -1.33000 0.00000 -1.61000 0.00000 2.38000 65.00000 HSE1_1SEM-28_15.PDB 2.77269 -11.09000 -3.67000 -6.03000 -9.64000 -2.30000 12.49000 -11.22000 1.70000 7.91000 3.00000 0.00000 0.00000 0.00000 0.07000 0.98000 0.00000 -1.48000 0.00000 -1.92000 0.00000 2.38000 65.00000 HSE1_1SEM-28_16.PDB 5.59174 -9.70000 -3.90000 -5.03000 -10.31000 -3.45000 14.49000 -11.53000 1.92000 8.27000 3.51000 0.00000 0.00000 0.00000 0.22000 1.16000 0.00000 -1.49000 0.00000 -2.39000 0.00000 2.38000 65.00000 HSE1_1SEM-28_17.PDB 4.64721 -11.10000 -3.49000 -4.92000 -10.93000 -2.60000 13.58000 -13.06000 2.97000 7.54000 2.88000 0.00000 0.00000 0.00000 0.09000 1.30000 0.00000 -1.27000 0.00000 -1.85000 0.00000 2.38000 65.00000 HSE1_1SEM-28_18.PDB 4.85983 -10.24000 -3.01000 -4.55000 -10.67000 -2.80000 13.61000 -12.55000 1.76000 8.00000 3.09000 0.00000 0.00000 0.00000 0.13000 1.11000 0.00000 -1.20000 0.00000 -2.06000 0.00000 2.38000 65.00000 HSE1_1SEM-28_19.PDB 4.61178 -10.61000 -4.34000 -5.75000 -10.94000 -3.52000 14.68000 -12.41000 2.90000 8.36000 3.96000 0.00000 0.00000 0.00000 0.10000 1.42000 0.00000 -1.12000 0.00000 -2.53000 0.00000 2.38000 65.00000 HSE1_1SEM-28_20.PDB 5.89971 -11.76000 -4.33000 -5.85000 -11.64000 -3.44000 15.36000 -13.46000 2.10000 8.81000 4.10000 0.00000 0.00000 0.00000 0.22000 1.18000 0.00000 -1.26000 0.00000 -2.38000 0.00000 2.38000 65.00000 HSE1_1SEM-28_21.PDB 5.65634 -9.38000 -4.59000 -4.69000 -10.01000 -2.74000 14.38000 -11.21000 2.23000 7.75000 2.98000 0.00000 0.00000 0.00000 0.12000 1.12000 0.00000 -1.60000 0.00000 -1.99000 0.00000 2.38000 65.00000 HSE1_1SEM-28_22.PDB 4.83128 -10.07000 -3.76000 -4.60000 -10.05000 -2.81000 12.41000 -11.89000 2.60000 7.50000 3.42000 0.00000 0.00000 0.00000 0.13000 1.19000 0.00000 -0.91000 0.00000 -2.10000 0.00000 2.38000 65.00000 HSE1_1SEM-28_23.PDB 3.20021 -9.59000 -3.95000 -7.46000 -9.95000 -2.00000 13.93000 -11.73000 2.75000 8.11000 3.74000 0.00000 0.00000 0.00000 0.10000 1.07000 0.00000 -1.36000 0.00000 -1.78000 0.00000 2.38000 65.00000 HSE1_1SEM-28_24.PDB 4.73998 -11.51000 -3.90000 -6.11000 -10.97000 -1.33000 13.18000 -13.73000 2.40000 8.11000 3.10000 0.00000 0.00000 0.00000 0.13000 1.13000 0.00000 -1.06000 0.00000 -1.33000 0.00000 2.38000 65.00000 HSE1_1SEM-28_25.PDB 5.66603 -8.33000 -2.74000 -4.69000 -10.55000 -2.23000 12.98000 -13.05000 2.55000 8.07000 4.05000 0.00000 0.00000 0.00000 0.12000 1.27000 0.00000 -0.93000 0.00000 -1.92000 0.00000 2.38000 65.00000 HSE1_1SEM-28_26.PDB 5.78889 -9.13000 -2.88000 -3.63000 -11.43000 -2.97000 14.17000 -13.68000 2.18000 8.22000 4.25000 0.00000 0.00000 0.00000 0.12000 1.28000 0.00000 -1.24000 0.00000 -2.24000 0.00000 2.38000 65.00000 HSE1_1SEM-28_27.PDB 5.45110 -10.43000 -4.95000 -6.24000 -11.08000 -2.28000 15.23000 -12.92000 2.61000 8.42000 3.80000 0.00000 0.00000 0.00000 0.18000 1.35000 0.00000 -1.38000 0.00000 -1.81000 0.00000 2.38000 65.00000 HSE1_1SEM-28_28.PDB 5.43190 -13.74000 -3.38000 -8.82000 -11.64000 -3.42000 14.97000 -14.03000 2.85000 8.94000 3.92000 0.00000 0.00000 0.00000 0.13000 1.50000 0.00000 -0.91000 0.00000 -2.35000 0.00000 2.38000 65.00000 HSE1_1SEM-28_29.PDB 3.51101 -10.07000 -3.03000 -3.81000 -10.67000 -2.38000 12.95000 -12.66000 1.85000 7.54000 2.82000 0.00000 0.00000 0.00000 0.09000 1.16000 0.00000 -1.01000 0.00000 -1.77000 0.00000 2.38000 65.00000 HSE1_1SEM-28_30.PDB 5.14762 -11.10000 -3.47000 -4.20000 -11.43000 -3.06000 14.01000 -13.63000 2.28000 7.92000 3.47000 0.00000 0.00000 0.00000 0.14000 1.22000 0.00000 -1.08000 0.00000 -2.06000 0.00000 2.38000 65.00000