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-4_1.PDB 5.27799 -4.06000 -0.84000 -3.08000 -7.44000 -2.58000 7.92000 -9.72000 6.94000 4.32000 2.48000 0.00000 0.00000 0.00000 0.18000 0.39000 0.00000 -0.43000 0.00000 -1.81000 0.00000 2.38000 65.00000 HSE1_1SEM-4_2.PDB 4.56515 -5.54000 -0.85000 -3.91000 -7.35000 -2.57000 7.72000 -9.68000 6.96000 3.58000 2.78000 0.00000 0.00000 0.00000 0.20000 0.40000 0.00000 -0.57000 0.00000 -1.86000 0.00000 2.38000 65.00000 HSE1_1SEM-4_3.PDB 5.80013 -5.59000 -0.85000 -4.26000 -8.15000 -2.82000 8.88000 -10.48000 7.11000 4.68000 2.80000 0.00000 0.00000 0.00000 0.17000 0.57000 0.00000 -0.68000 0.00000 -2.00000 0.00000 2.38000 65.00000 HSE1_1SEM-4_4.PDB 4.44229 -5.00000 -1.66000 -4.31000 -8.56000 -2.82000 9.46000 -10.38000 7.32000 5.69000 2.72000 0.00000 0.00000 0.00000 0.14000 0.49000 0.00000 -0.41000 0.00000 -2.19000 0.00000 2.38000 65.00000 HSE1_1SEM-4_5.PDB 5.16908 -5.43000 -1.59000 -4.05000 -8.75000 -3.93000 10.64000 -10.70000 7.02000 6.14000 3.12000 0.00000 0.00000 0.00000 0.17000 0.49000 0.00000 -0.80000 0.00000 -2.72000 0.00000 2.38000 65.00000 HSE1_1SEM-4_6.PDB 4.21076 -4.81000 -0.85000 -4.34000 -7.79000 -2.74000 8.77000 -9.97000 6.74000 4.70000 2.88000 0.00000 0.00000 0.00000 0.15000 0.44000 0.00000 -0.49000 0.00000 -1.85000 0.00000 2.38000 65.00000 HSE1_1SEM-4_7.PDB 4.17330 -5.13000 -0.85000 -3.97000 -7.62000 -2.85000 8.50000 -9.80000 6.62000 4.71000 2.63000 0.00000 0.00000 0.00000 0.15000 0.43000 0.00000 -0.53000 0.00000 -2.11000 0.00000 2.38000 65.00000 HSE1_1SEM-4_8.PDB 4.92102 -7.28000 -0.60000 -3.34000 -8.05000 -2.19000 7.50000 -10.76000 6.44000 3.78000 2.62000 0.00000 0.00000 0.00000 0.11000 0.56000 0.00000 -0.78000 0.00000 -2.01000 0.00000 2.38000 65.00000 HSE1_1SEM-4_9.PDB 4.83178 -6.44000 -1.83000 -4.81000 -9.69000 -3.26000 10.66000 -11.64000 7.04000 7.10000 3.11000 0.00000 0.00000 0.00000 0.16000 0.68000 0.00000 -0.67000 0.00000 -2.61000 0.00000 2.38000 65.00000 HSE1_1SEM-4_10.PDB 4.22092 -5.21000 -0.86000 -3.98000 -7.56000 -2.88000 8.18000 -9.80000 7.16000 4.50000 2.57000 0.00000 0.00000 0.00000 0.14000 0.42000 0.00000 -0.54000 0.00000 -2.12000 0.00000 2.38000 65.00000 HSE1_1SEM-4_11.PDB 4.88044 -5.21000 -0.89000 -2.70000 -9.04000 -2.90000 9.59000 -11.84000 6.80000 5.11000 2.83000 0.00000 0.00000 0.00000 0.26000 0.58000 0.00000 -0.52000 0.00000 -1.91000 0.00000 2.38000 65.00000 HSE1_1SEM-4_12.PDB 5.28543 -5.06000 -1.68000 -2.98000 -8.51000 -2.79000 9.27000 -10.66000 6.84000 5.49000 2.89000 0.00000 0.00000 0.00000 0.20000 0.62000 0.00000 -1.11000 0.00000 -2.02000 0.00000 2.38000 65.00000 HSE1_1SEM-4_13.PDB 5.21404 -5.35000 -0.58000 -2.99000 -7.82000 -2.47000 7.49000 -10.05000 6.06000 5.06000 2.41000 0.00000 0.00000 0.00000 0.12000 0.55000 0.00000 -0.64000 0.00000 -1.93000 0.00000 2.38000 65.00000 HSE1_1SEM-4_14.PDB 4.96623 -4.39000 -1.60000 -4.25000 -8.49000 -4.26000 10.58000 -10.40000 7.44000 6.61000 3.47000 0.00000 0.00000 0.00000 0.15000 0.35000 0.00000 -0.57000 0.00000 -3.07000 0.00000 2.38000 65.00000 HSE1_1SEM-4_15.PDB 3.92743 -5.00000 -1.70000 -4.05000 -8.27000 -2.62000 9.22000 -10.35000 6.89000 5.44000 3.01000 0.00000 0.00000 0.00000 0.23000 0.43000 0.00000 -0.84000 0.00000 -1.95000 0.00000 2.38000 65.00000 HSE1_1SEM-4_16.PDB 5.26985 -6.07000 -0.91000 -3.75000 -9.28000 -3.62000 10.12000 -11.97000 6.27000 7.04000 2.88000 0.00000 0.00000 0.00000 0.24000 0.53000 0.00000 -0.55000 0.00000 -2.54000 0.00000 2.38000 65.00000 HSE1_1SEM-4_17.PDB 4.99074 -7.87000 -2.11000 -4.92000 -9.32000 -4.28000 10.98000 -11.31000 7.32000 6.64000 2.95000 0.00000 0.00000 0.00000 0.19000 0.65000 0.00000 -0.98000 0.00000 -3.04000 0.00000 2.38000 65.00000 HSE1_1SEM-4_18.PDB 4.94804 -6.69000 -1.69000 -4.87000 -8.88000 -4.21000 10.60000 -10.63000 7.30000 6.66000 2.93000 0.00000 0.00000 0.00000 0.17000 0.47000 0.00000 -0.95000 0.00000 -3.12000 0.00000 2.38000 65.00000 HSE1_1SEM-4_19.PDB 5.20996 -6.66000 -0.90000 -3.43000 -8.87000 -2.51000 8.10000 -12.01000 7.23000 5.56000 2.35000 0.00000 0.00000 0.00000 0.13000 0.69000 0.00000 -0.46000 0.00000 -1.84000 0.00000 2.38000 65.00000 HSE1_1SEM-4_20.PDB 6.29470 -8.90000 -2.56000 -6.66000 -10.40000 -4.44000 12.12000 -12.81000 7.86000 8.61000 3.52000 0.00000 0.00000 0.00000 0.22000 0.64000 0.00000 -1.30000 0.00000 -3.04000 0.00000 2.38000 65.00000 HSE1_1SEM-4_21.PDB 4.41927 -6.01000 -1.61000 -5.06000 -8.89000 -4.13000 10.97000 -10.66000 6.89000 6.71000 3.19000 0.00000 0.00000 0.00000 0.31000 0.45000 0.00000 -1.12000 0.00000 -2.62000 0.00000 2.38000 65.00000 HSE1_1SEM-4_22.PDB 4.88312 -4.98000 -1.70000 -4.75000 -8.20000 -3.10000 8.69000 -10.32000 8.44000 6.09000 2.72000 0.00000 0.00000 0.00000 0.19000 0.38000 0.00000 -0.83000 0.00000 -2.21000 0.00000 2.38000 65.00000 HSE1_1SEM-4_23.PDB 5.93068 -7.25000 -0.90000 -4.87000 -8.71000 -3.03000 9.18000 -11.69000 6.85000 5.20000 3.00000 0.00000 0.00000 0.00000 0.29000 0.53000 0.00000 -0.28000 0.00000 -2.30000 0.00000 2.38000 65.00000 HSE1_1SEM-4_24.PDB 4.31792 -5.22000 -1.68000 -3.96000 -8.68000 -2.90000 9.58000 -10.86000 7.26000 5.60000 3.08000 0.00000 0.00000 0.00000 0.25000 0.64000 0.00000 -0.71000 0.00000 -2.21000 0.00000 2.38000 65.00000 HSE1_1SEM-4_25.PDB 4.89254 -5.95000 -1.75000 -4.67000 -9.38000 -2.98000 10.43000 -11.89000 6.82000 6.96000 3.18000 0.00000 0.00000 0.00000 0.30000 0.64000 0.00000 -0.92000 0.00000 -2.04000 0.00000 2.38000 65.00000 HSE1_1SEM-4_26.PDB 5.81085 -8.96000 -1.76000 -5.30000 -9.80000 -4.21000 11.24000 -12.28000 6.17000 7.72000 3.24000 0.00000 0.00000 0.00000 0.32000 0.60000 0.00000 -1.29000 0.00000 -3.01000 0.00000 2.38000 65.00000 HSE1_1SEM-4_27.PDB 6.04793 -7.53000 -2.55000 -5.99000 -10.46000 -4.19000 11.85000 -12.97000 8.68000 8.51000 3.33000 0.00000 0.00000 0.00000 0.22000 0.83000 0.00000 -1.12000 0.00000 -2.82000 0.00000 2.38000 65.00000 HSE1_1SEM-4_28.PDB 4.23140 -6.39000 -1.69000 -4.89000 -9.49000 -3.04000 10.04000 -12.30000 7.48000 7.00000 3.41000 0.00000 0.00000 0.00000 0.25000 0.67000 0.00000 -0.74000 0.00000 -2.42000 0.00000 2.38000 65.00000 HSE1_1SEM-4_29.PDB 5.23199 -4.21000 -0.84000 -3.50000 -8.68000 -2.91000 9.31000 -11.25000 6.87000 6.63000 3.40000 0.00000 0.00000 0.00000 0.17000 0.58000 0.00000 -0.81000 0.00000 -2.58000 0.00000 2.38000 65.00000 HSE1_1SEM-4_30.PDB 5.05812 -5.21000 -1.70000 -3.94000 -9.72000 -2.59000 9.59000 -12.96000 7.59000 6.87000 4.19000 0.00000 0.00000 0.00000 0.20000 0.73000 0.00000 -0.30000 0.00000 -2.43000 0.00000 2.38000 65.00000