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-29_1.PDB 4.15429 -12.56000 -1.78000 -3.18000 -9.14000 -2.45000 8.80000 -11.66000 0.41000 6.07000 2.41000 0.00000 0.00000 0.00000 0.13000 0.45000 0.00000 -0.33000 0.00000 -1.83000 0.00000 2.38000 65.00000 HSE1_1SEM-29_2.PDB 4.56149 -12.85000 -1.81000 -3.18000 -9.09000 -2.37000 8.70000 -11.64000 0.60000 5.96000 1.92000 0.00000 0.00000 0.00000 0.15000 0.45000 0.00000 -0.37000 0.00000 -1.73000 0.00000 2.38000 65.00000 HSE1_1SEM-29_3.PDB 4.29990 -13.61000 -1.84000 -3.41000 -9.27000 -2.74000 8.93000 -11.81000 0.68000 6.25000 2.04000 0.00000 0.00000 0.00000 0.17000 0.52000 0.00000 -0.51000 0.00000 -2.09000 0.00000 2.38000 65.00000 HSE1_1SEM-29_4.PDB 3.69233 -12.83000 -1.87000 -2.59000 -9.27000 -2.36000 8.74000 -11.82000 0.62000 5.52000 2.23000 0.00000 0.00000 0.00000 0.13000 0.55000 0.00000 -0.42000 0.00000 -1.74000 0.00000 2.38000 65.00000 HSE1_1SEM-29_5.PDB 3.61398 -13.56000 -0.95000 -4.89000 -9.01000 -2.89000 9.20000 -11.49000 0.60000 6.24000 2.11000 0.00000 0.00000 0.00000 0.15000 0.51000 0.00000 -0.68000 0.00000 -1.94000 0.00000 2.38000 65.00000 HSE1_1SEM-29_6.PDB 4.08028 -12.55000 -1.04000 -1.94000 -9.17000 -2.40000 8.31000 -11.91000 0.81000 5.62000 1.24000 0.00000 0.00000 0.00000 0.10000 0.45000 0.00000 -0.42000 0.00000 -1.73000 0.00000 2.38000 65.00000 HSE1_1SEM-29_7.PDB 3.35232 -13.46000 -1.83000 -3.51000 -9.12000 -2.38000 8.49000 -11.75000 0.49000 5.88000 2.11000 0.00000 0.00000 0.00000 0.15000 0.57000 0.00000 -0.29000 0.00000 -1.71000 0.00000 2.38000 65.00000 HSE1_1SEM-29_8.PDB 3.96657 -13.15000 -1.81000 -3.43000 -9.00000 -2.49000 8.76000 -11.49000 0.48000 5.80000 2.08000 0.00000 0.00000 0.00000 0.12000 0.59000 0.00000 -0.32000 0.00000 -1.84000 0.00000 2.38000 65.00000 HSE1_1SEM-29_9.PDB 4.05157 -13.11000 -1.63000 -3.19000 -8.80000 -2.45000 8.41000 -11.29000 0.38000 5.61000 1.96000 0.00000 0.00000 0.00000 0.09000 0.70000 0.00000 -0.45000 0.00000 -1.76000 0.00000 2.38000 65.00000 HSE1_1SEM-29_10.PDB 3.57890 -13.67000 -1.91000 -3.56000 -9.60000 -2.81000 9.87000 -12.10000 0.37000 6.35000 1.96000 0.00000 0.00000 0.00000 0.17000 0.54000 0.00000 -0.40000 0.00000 -2.02000 0.00000 2.38000 65.00000 HSE1_1SEM-29_11.PDB 3.50562 -11.81000 -1.88000 -2.05000 -8.96000 -2.31000 8.48000 -11.56000 0.70000 5.49000 2.02000 0.00000 0.00000 0.00000 0.11000 0.59000 0.00000 -0.16000 0.00000 -1.70000 0.00000 2.38000 65.00000 HSE1_1SEM-29_12.PDB 3.31903 -13.27000 -1.73000 -3.26000 -9.15000 -2.56000 8.78000 -11.71000 0.45000 6.09000 1.97000 0.00000 0.00000 0.00000 0.17000 0.48000 0.00000 -0.32000 0.00000 -2.01000 0.00000 2.38000 65.00000 HSE1_1SEM-29_13.PDB 3.77597 -12.49000 -1.90000 -3.35000 -9.10000 -2.38000 8.63000 -11.73000 1.15000 5.94000 2.12000 0.00000 0.00000 0.00000 0.13000 0.63000 0.00000 -0.31000 0.00000 -1.69000 0.00000 2.38000 65.00000 HSE1_1SEM-29_14.PDB 4.25223 -11.14000 -1.93000 -2.95000 -9.02000 -2.48000 8.70000 -11.57000 1.67000 5.90000 2.54000 0.00000 0.00000 0.00000 0.10000 0.60000 0.00000 -0.36000 0.00000 -1.73000 0.00000 2.38000 65.00000 HSE1_1SEM-29_15.PDB 4.34509 -12.42000 -1.86000 -1.97000 -9.18000 -2.79000 8.90000 -11.77000 1.02000 5.78000 1.87000 0.00000 0.00000 0.00000 0.13000 0.64000 0.00000 -0.38000 0.00000 -2.18000 0.00000 2.38000 65.00000 HSE1_1SEM-29_16.PDB 3.16570 -12.45000 -1.93000 -2.07000 -9.58000 -2.41000 8.81000 -12.32000 0.98000 5.97000 2.05000 0.00000 0.00000 0.00000 0.09000 0.60000 0.00000 -0.19000 0.00000 -1.83000 0.00000 2.38000 65.00000 HSE1_1SEM-29_17.PDB 2.98862 -12.96000 -1.72000 -3.36000 -9.02000 -2.64000 8.66000 -11.45000 0.70000 5.72000 2.33000 0.00000 0.00000 0.00000 0.13000 0.56000 0.00000 -0.43000 0.00000 -1.88000 0.00000 2.38000 65.00000 HSE1_1SEM-29_18.PDB 3.96168 -11.98000 -1.89000 -2.35000 -9.15000 -2.68000 8.91000 -11.68000 0.86000 5.71000 2.45000 0.00000 0.00000 0.00000 0.13000 0.73000 0.00000 -0.26000 0.00000 -2.03000 0.00000 2.38000 65.00000 HSE1_1SEM-29_19.PDB 4.37620 -13.66000 -1.79000 -3.49000 -9.47000 -2.59000 8.97000 -12.10000 0.74000 6.11000 2.18000 0.00000 0.00000 0.00000 0.12000 0.58000 0.00000 -0.41000 0.00000 -1.92000 0.00000 2.38000 65.00000 HSE1_1SEM-29_20.PDB 4.28111 -12.54000 -1.91000 -2.68000 -9.36000 -2.38000 8.89000 -11.97000 0.58000 5.79000 2.52000 0.00000 0.00000 0.00000 0.13000 0.63000 0.00000 -0.34000 0.00000 -1.82000 0.00000 2.38000 65.00000 HSE1_1SEM-29_21.PDB 5.09234 -11.91000 -1.69000 -2.62000 -9.71000 -2.78000 9.69000 -12.31000 0.73000 6.77000 2.02000 0.00000 0.00000 0.00000 0.13000 0.65000 0.00000 -0.39000 0.00000 -1.76000 0.00000 2.38000 65.00000 HSE1_1SEM-29_22.PDB 4.10393 -12.48000 -1.93000 -2.76000 -8.98000 -2.29000 8.28000 -11.60000 0.87000 5.24000 2.34000 0.00000 0.00000 0.00000 0.09000 0.63000 0.00000 -0.15000 0.00000 -1.59000 0.00000 2.38000 65.00000 HSE1_1SEM-29_23.PDB 3.77964 -13.77000 -1.88000 -3.50000 -9.41000 -2.69000 9.18000 -11.95000 0.52000 6.29000 2.06000 0.00000 0.00000 0.00000 0.18000 0.62000 0.00000 -0.53000 0.00000 -2.03000 0.00000 2.38000 65.00000 HSE1_1SEM-29_24.PDB 3.74993 -12.99000 -1.60000 -3.20000 -9.29000 -2.66000 9.26000 -11.78000 0.29000 6.02000 2.00000 0.00000 0.00000 0.00000 0.15000 0.68000 0.00000 -0.33000 0.00000 -1.86000 0.00000 2.38000 65.00000 HSE1_1SEM-29_25.PDB 3.63809 -12.65000 -1.86000 -2.23000 -8.87000 -2.30000 8.15000 -11.44000 0.51000 5.43000 1.79000 0.00000 0.00000 0.00000 0.09000 0.50000 0.00000 -0.27000 0.00000 -1.66000 0.00000 2.38000 65.00000 HSE1_1SEM-29_26.PDB 3.14111 -12.39000 -1.80000 -3.16000 -8.89000 -2.51000 8.62000 -11.22000 0.70000 5.77000 1.89000 0.00000 0.00000 0.00000 0.18000 0.59000 0.00000 -0.25000 0.00000 -1.71000 0.00000 2.38000 65.00000 HSE1_1SEM-29_27.PDB 3.62862 -13.08000 -1.89000 -2.67000 -9.41000 -2.56000 8.92000 -12.01000 0.63000 5.69000 2.42000 0.00000 0.00000 0.00000 0.14000 0.62000 0.00000 -0.33000 0.00000 -2.03000 0.00000 2.38000 65.00000 HSE1_1SEM-29_28.PDB 4.92024 -13.03000 -1.76000 -3.21000 -9.24000 -2.55000 9.11000 -11.66000 0.21000 6.12000 2.09000 0.00000 0.00000 0.00000 0.14000 0.56000 0.00000 -0.39000 0.00000 -1.90000 0.00000 2.38000 65.00000 HSE1_1SEM-29_29.PDB 4.21750 -12.33000 -1.82000 -2.69000 -9.19000 -2.71000 9.06000 -11.75000 0.70000 5.68000 2.69000 0.00000 0.00000 0.00000 0.10000 0.77000 0.00000 -0.38000 0.00000 -2.04000 0.00000 2.38000 65.00000 HSE1_1SEM-29_30.PDB 3.72348 -12.12000 -1.92000 -2.04000 -9.44000 -2.45000 8.85000 -12.08000 0.96000 5.75000 2.45000 0.00000 0.00000 0.00000 0.15000 0.47000 0.00000 -0.46000 0.00000 -1.88000 0.00000 2.38000 65.00000