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 BEM1-D2_1SEM-23_1.PDB 2.51680 -9.14000 -0.64000 -2.32000 -6.93000 -1.80000 5.52000 -9.57000 0.06000 5.77000 2.91000 0.00000 0.00000 0.00000 0.11000 0.65000 0.00000 -0.74000 0.00000 -1.52000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_2.PDB 2.66079 -10.13000 -0.66000 -2.39000 -7.49000 -2.87000 6.51000 -9.97000 0.10000 5.85000 2.99000 0.00000 0.00000 0.00000 0.12000 0.84000 0.00000 -0.58000 0.00000 -1.75000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_3.PDB 2.96106 -10.48000 -0.65000 -1.58000 -7.22000 -2.75000 6.32000 -9.68000 0.14000 4.74000 2.63000 0.00000 0.00000 0.00000 0.18000 0.76000 0.00000 -0.57000 0.00000 -2.05000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_4.PDB 2.43162 -9.57000 -0.64000 -2.16000 -6.73000 -2.81000 6.06000 -9.00000 0.15000 5.55000 2.61000 0.00000 0.00000 0.00000 0.09000 0.66000 0.00000 -0.73000 0.00000 -1.96000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_5.PDB 3.46456 -9.46000 -0.65000 -1.77000 -6.86000 -2.10000 5.43000 -9.47000 0.08000 5.17000 3.02000 0.00000 0.00000 0.00000 0.10000 0.83000 0.00000 -0.52000 0.00000 -1.89000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_6.PDB 2.85595 -9.79000 -0.64000 -2.05000 -6.55000 -2.03000 5.26000 -9.01000 0.06000 4.51000 2.20000 0.00000 0.00000 0.00000 0.24000 0.51000 0.00000 -0.23000 0.00000 -1.56000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_7.PDB 2.91281 -10.66000 -0.65000 -3.13000 -7.69000 -3.23000 7.30000 -10.07000 0.12000 6.11000 2.75000 0.00000 0.00000 0.00000 0.17000 0.89000 0.00000 -0.26000 0.00000 -2.06000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_8.PDB 2.79273 -9.48000 -1.52000 -3.07000 -7.20000 -2.41000 6.48000 -9.28000 0.11000 6.38000 3.29000 0.00000 0.00000 0.00000 0.14000 0.81000 0.00000 -0.83000 0.00000 -1.57000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_9.PDB 2.53900 -10.24000 -0.65000 -2.12000 -7.03000 -2.19000 5.84000 -9.63000 0.13000 4.62000 2.89000 0.00000 0.00000 0.00000 0.15000 0.62000 0.00000 -0.67000 0.00000 -1.58000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_10.PDB 2.73824 -9.12000 -1.51000 -2.25000 -6.76000 -1.83000 5.73000 -9.07000 0.20000 5.89000 2.72000 0.00000 0.00000 0.00000 0.06000 0.71000 0.00000 -0.62000 0.00000 -1.69000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_11.PDB 2.95831 -8.92000 -1.50000 -2.23000 -6.67000 -1.92000 5.76000 -8.84000 0.05000 5.48000 3.20000 0.00000 0.00000 0.00000 0.12000 0.80000 0.00000 -0.52000 0.00000 -1.87000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_12.PDB 2.43929 -9.41000 -0.64000 -2.10000 -6.62000 -1.86000 5.05000 -9.34000 0.08000 5.43000 2.72000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.48000 0.00000 -1.73000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_13.PDB 2.02436 -9.69000 -0.65000 -2.22000 -6.52000 -1.91000 4.95000 -9.25000 0.08000 4.74000 3.04000 0.00000 0.00000 0.00000 0.15000 0.82000 0.00000 -0.29000 0.00000 -1.82000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_14.PDB 3.39568 -9.71000 -1.40000 -3.07000 -6.68000 -2.13000 5.58000 -9.01000 0.17000 5.76000 3.48000 0.00000 0.00000 0.00000 0.19000 0.60000 0.00000 -0.68000 0.00000 -1.93000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_15.PDB 2.49110 -9.15000 -0.66000 -2.32000 -6.89000 -1.92000 5.76000 -9.36000 0.04000 5.74000 2.63000 0.00000 0.00000 0.00000 0.12000 0.83000 0.00000 -0.79000 0.00000 -1.49000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_16.PDB 2.76630 -10.08000 -1.42000 -2.28000 -7.14000 -2.99000 6.96000 -9.02000 0.19000 5.55000 2.56000 0.00000 0.00000 0.00000 0.15000 0.84000 0.00000 -0.66000 0.00000 -1.98000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_17.PDB 2.37796 -8.44000 -0.64000 -2.13000 -6.48000 -1.70000 4.96000 -9.05000 0.19000 5.49000 2.63000 0.00000 0.00000 0.00000 0.08000 0.51000 0.00000 -0.23000 0.00000 -1.57000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_18.PDB 2.80054 -8.82000 -1.49000 -2.20000 -6.47000 -1.76000 5.60000 -8.71000 0.08000 5.03000 3.19000 0.00000 0.00000 0.00000 0.12000 0.75000 0.00000 -0.47000 0.00000 -1.72000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_19.PDB 2.63077 -8.66000 -0.66000 -2.34000 -6.88000 -1.71000 5.53000 -9.38000 0.08000 5.62000 3.16000 0.00000 0.00000 0.00000 0.12000 0.83000 0.00000 -0.84000 0.00000 -1.35000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_20.PDB 2.40093 -8.34000 -0.65000 -2.31000 -6.58000 -1.92000 5.44000 -9.09000 0.13000 5.63000 2.85000 0.00000 0.00000 0.00000 0.06000 0.73000 0.00000 -0.16000 0.00000 -1.74000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_21.PDB 2.49245 -8.86000 -0.65000 -1.48000 -6.43000 -2.09000 5.19000 -8.81000 0.21000 4.67000 2.71000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.33000 0.00000 -1.95000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_22.PDB 2.57838 -9.25000 -0.65000 -1.96000 -6.74000 -1.70000 5.05000 -9.54000 0.07000 5.39000 2.81000 0.00000 0.00000 0.00000 0.08000 0.72000 0.00000 -0.54000 0.00000 -1.53000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_23.PDB 2.55226 -7.85000 -1.52000 -2.83000 -6.56000 -1.92000 6.05000 -8.61000 0.17000 6.31000 2.90000 0.00000 0.00000 0.00000 0.09000 0.58000 0.00000 -0.36000 0.00000 -1.57000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_24.PDB 3.05631 -8.62000 -0.65000 -1.05000 -6.83000 -1.69000 5.46000 -9.44000 0.05000 4.45000 3.08000 0.00000 0.00000 0.00000 0.12000 0.84000 0.00000 -0.49000 0.00000 -1.63000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_25.PDB 2.90514 -9.26000 -0.64000 -1.90000 -6.72000 -2.26000 5.87000 -9.09000 0.13000 4.63000 2.28000 0.00000 0.00000 0.00000 0.16000 0.54000 0.00000 -0.05000 0.00000 -1.68000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_26.PDB 2.65556 -9.22000 -0.66000 -2.40000 -7.22000 -2.81000 6.51000 -9.37000 0.05000 5.82000 3.08000 0.00000 0.00000 0.00000 0.11000 0.88000 0.00000 -0.57000 0.00000 -1.74000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_27.PDB 2.60784 -8.71000 -0.65000 -1.48000 -6.95000 -2.02000 5.67000 -9.58000 0.13000 4.54000 3.31000 0.00000 0.00000 0.00000 0.10000 0.78000 0.00000 -0.13000 0.00000 -1.65000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_28.PDB 2.30093 -8.74000 -0.65000 -0.95000 -7.04000 -0.73000 4.61000 -10.34000 0.15000 4.56000 2.90000 0.00000 0.00000 0.00000 0.08000 0.76000 0.00000 -0.62000 0.00000 -0.70000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_29.PDB 2.61269 -9.13000 -1.50000 -2.92000 -7.11000 -2.83000 7.03000 -8.97000 0.13000 6.49000 3.12000 0.00000 0.00000 0.00000 0.10000 0.74000 0.00000 -0.87000 0.00000 -1.79000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-23_30.PDB 2.62189 -8.27000 -0.64000 -1.45000 -6.40000 -1.87000 5.37000 -8.79000 0.06000 4.68000 2.55000 0.00000 0.00000 0.00000 0.08000 0.52000 0.00000 -0.14000 0.00000 -1.72000 0.00000 2.38000 65.00000