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-20_1.PDB 5.67262 -11.28000 -1.19000 -6.20000 -11.00000 -4.29000 13.57000 -12.87000 0.84000 9.28000 4.13000 0.00000 0.00000 0.00000 0.22000 0.58000 0.00000 -0.96000 0.00000 -2.80000 0.00000 2.38000 64.00000 HSE1_1SEM-20_2.PDB 6.18282 -11.16000 -2.06000 -5.70000 -12.57000 -4.33000 15.88000 -13.74000 1.67000 9.16000 3.87000 0.00000 0.00000 0.00000 0.33000 0.83000 0.00000 -0.84000 0.00000 -2.82000 0.00000 2.38000 64.00000 HSE1_1SEM-20_3.PDB 6.11106 -11.52000 -2.75000 -5.07000 -11.00000 -3.46000 14.14000 -12.50000 0.87000 7.60000 3.97000 0.00000 0.00000 0.00000 0.14000 0.75000 0.00000 -1.29000 0.00000 -2.15000 0.00000 2.38000 64.00000 HSE1_1SEM-20_4.PDB 5.39802 -14.17000 -2.36000 -8.37000 -11.48000 -4.70000 14.52000 -12.75000 0.79000 9.99000 3.97000 0.00000 0.00000 0.00000 0.13000 0.72000 0.00000 -1.15000 0.00000 -2.76000 0.00000 2.38000 64.00000 HSE1_1SEM-20_5.PDB 6.06096 -13.44000 -2.85000 -5.01000 -12.17000 -3.93000 14.71000 -13.66000 0.71000 7.99000 4.16000 0.00000 0.00000 0.00000 0.26000 0.87000 0.00000 -1.15000 0.00000 -2.50000 0.00000 2.38000 64.00000 HSE1_1SEM-20_6.PDB 5.73608 -11.91000 -2.79000 -5.36000 -11.78000 -4.03000 15.46000 -13.03000 1.78000 7.58000 4.12000 0.00000 0.00000 0.00000 0.25000 0.83000 0.00000 -1.52000 0.00000 -2.58000 0.00000 2.38000 64.00000 HSE1_1SEM-20_7.PDB 6.01240 -12.30000 -2.85000 -4.64000 -11.71000 -3.22000 14.49000 -13.23000 0.58000 7.62000 4.39000 0.00000 0.00000 0.00000 0.17000 0.76000 0.00000 -1.66000 0.00000 -2.23000 0.00000 2.38000 64.00000 HSE1_1SEM-20_8.PDB 4.58066 -12.31000 -2.77000 -6.72000 -10.60000 -3.67000 14.02000 -11.79000 0.67000 7.74000 4.55000 0.00000 0.00000 0.00000 0.16000 0.58000 0.00000 -1.42000 0.00000 -2.50000 0.00000 2.38000 64.00000 HSE1_1SEM-20_9.PDB 4.65169 -12.74000 -3.73000 -8.88000 -11.80000 -4.65000 16.05000 -12.68000 2.42000 10.05000 4.33000 0.00000 0.00000 0.00000 0.26000 0.68000 0.00000 -1.00000 0.00000 -3.10000 0.00000 2.38000 64.00000 HSE1_1SEM-20_10.PDB 5.73357 -12.09000 -2.72000 -6.95000 -10.61000 -3.46000 13.97000 -11.61000 0.88000 7.63000 4.04000 0.00000 0.00000 0.00000 0.17000 0.47000 0.00000 -1.18000 0.00000 -2.26000 0.00000 2.38000 64.00000 HSE1_1SEM-20_11.PDB 5.76346 -12.60000 -2.04000 -7.31000 -12.73000 -4.34000 17.43000 -13.88000 0.95000 9.65000 3.49000 0.00000 0.00000 0.00000 0.21000 0.88000 0.00000 -1.03000 0.00000 -3.00000 0.00000 2.38000 64.00000 HSE1_1SEM-20_12.PDB 5.70352 -12.33000 -2.75000 -5.97000 -11.69000 -3.58000 14.95000 -13.27000 0.88000 7.97000 4.00000 0.00000 0.00000 0.00000 0.16000 0.77000 0.00000 -0.86000 0.00000 -2.18000 0.00000 2.38000 64.00000 HSE1_1SEM-20_13.PDB 4.68888 -13.98000 -3.70000 -9.44000 -11.47000 -3.64000 16.33000 -12.66000 0.68000 8.98000 4.17000 0.00000 0.00000 0.00000 0.19000 0.79000 0.00000 -0.82000 0.00000 -2.59000 0.00000 2.38000 64.00000 HSE1_1SEM-20_14.PDB 6.58594 -12.78000 -2.84000 -5.34000 -12.12000 -3.40000 14.74000 -14.05000 1.05000 7.18000 4.52000 0.00000 0.00000 0.00000 0.34000 0.80000 0.00000 -0.96000 0.00000 -1.89000 0.00000 2.38000 64.00000 HSE1_1SEM-20_15.PDB 5.73336 -13.14000 -1.97000 -5.65000 -11.26000 -4.32000 13.54000 -12.90000 0.70000 7.87000 4.09000 0.00000 0.00000 0.00000 0.13000 0.64000 0.00000 -1.04000 0.00000 -2.33000 0.00000 2.38000 64.00000 HSE1_1SEM-20_16.PDB 5.58464 -11.51000 -1.95000 -4.49000 -11.22000 -4.41000 14.25000 -13.04000 1.11000 7.53000 4.54000 0.00000 0.00000 0.00000 0.19000 0.58000 0.00000 -1.42000 0.00000 -2.62000 0.00000 2.38000 64.00000 HSE1_1SEM-20_17.PDB 4.55069 -11.20000 -2.04000 -5.00000 -11.40000 -3.40000 14.75000 -12.64000 0.68000 7.72000 3.31000 0.00000 0.00000 0.00000 0.19000 0.60000 0.00000 -0.92000 0.00000 -2.44000 0.00000 2.38000 64.00000 HSE1_1SEM-20_18.PDB 5.00947 -11.77000 -2.82000 -5.27000 -11.19000 -3.72000 14.86000 -12.46000 0.61000 7.33000 4.18000 0.00000 0.00000 0.00000 0.25000 0.67000 0.00000 -1.05000 0.00000 -2.49000 0.00000 2.38000 64.00000 HSE1_1SEM-20_19.PDB 5.42276 -12.67000 -1.88000 -7.39000 -10.85000 -4.84000 15.20000 -12.29000 1.06000 7.64000 4.72000 0.00000 0.00000 0.00000 0.17000 0.47000 0.00000 -1.43000 0.00000 -2.80000 0.00000 2.38000 64.00000 HSE1_1SEM-20_20.PDB 5.34365 -13.36000 -1.84000 -8.17000 -11.30000 -3.17000 13.87000 -13.87000 1.06000 7.76000 4.59000 0.00000 0.00000 0.00000 0.10000 0.57000 0.00000 -0.68000 0.00000 -1.71000 0.00000 2.38000 64.00000 HSE1_1SEM-20_21.PDB 5.66126 -12.66000 -2.43000 -3.75000 -11.73000 -3.73000 13.66000 -14.06000 0.71000 6.95000 4.39000 0.00000 0.00000 0.00000 0.17000 0.63000 0.00000 -0.96000 0.00000 -1.88000 0.00000 2.38000 64.00000 HSE1_1SEM-20_22.PDB 4.70296 -10.51000 -2.04000 -5.21000 -9.80000 -2.37000 11.92000 -11.23000 0.75000 7.13000 3.26000 0.00000 0.00000 0.00000 0.13000 0.47000 0.00000 -1.07000 0.00000 -1.98000 0.00000 2.38000 64.00000 HSE1_1SEM-20_23.PDB 5.66687 -11.07000 -3.65000 -4.30000 -11.43000 -3.60000 14.92000 -12.71000 0.64000 8.38000 4.53000 0.00000 0.00000 0.00000 0.17000 0.76000 0.00000 -1.64000 0.00000 -2.38000 0.00000 2.38000 64.00000 HSE1_1SEM-20_24.PDB 5.64774 -10.34000 -2.01000 -2.77000 -10.96000 -3.59000 13.48000 -12.41000 1.02000 6.99000 3.32000 0.00000 0.00000 0.00000 0.15000 0.71000 0.00000 -1.18000 0.00000 -2.39000 0.00000 2.38000 64.00000 HSE1_1SEM-20_25.PDB 6.19958 -12.98000 -2.87000 -4.76000 -11.58000 -4.70000 14.61000 -13.25000 0.67000 7.59000 4.56000 0.00000 0.00000 0.00000 0.24000 0.66000 0.00000 -0.98000 0.00000 -2.51000 0.00000 2.38000 64.00000 HSE1_1SEM-20_26.PDB 5.73827 -11.23000 -2.06000 -3.67000 -12.57000 -3.84000 15.52000 -14.18000 0.80000 8.55000 3.49000 0.00000 0.00000 0.00000 0.23000 0.87000 0.00000 -0.90000 0.00000 -2.59000 0.00000 2.38000 64.00000 HSE1_1SEM-20_27.PDB 4.36249 -11.41000 -2.08000 -6.26000 -11.02000 -3.05000 13.57000 -12.71000 1.13000 8.34000 3.77000 0.00000 0.00000 0.00000 0.15000 0.63000 0.00000 -1.04000 0.00000 -2.22000 0.00000 2.38000 64.00000 HSE1_1SEM-20_28.PDB 5.40619 -12.93000 -2.00000 -5.82000 -11.14000 -3.90000 13.45000 -13.40000 0.56000 7.91000 4.46000 0.00000 0.00000 0.00000 0.17000 0.52000 0.00000 -1.17000 0.00000 -2.04000 0.00000 2.38000 64.00000 HSE1_1SEM-20_29.PDB 6.10776 -14.66000 -2.84000 -6.35000 -12.58000 -3.16000 14.62000 -14.82000 0.53000 8.10000 4.75000 0.00000 0.00000 0.00000 0.19000 0.82000 0.00000 -1.48000 0.00000 -1.62000 0.00000 2.38000 64.00000 HSE1_1SEM-20_30.PDB 4.90447 -10.76000 -2.06000 -2.15000 -11.31000 -2.66000 13.17000 -13.34000 0.41000 6.52000 3.35000 0.00000 0.00000 0.00000 0.17000 0.78000 0.00000 -0.92000 0.00000 -1.94000 0.00000 2.38000 64.00000