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-19_1.PDB 4.12489 -7.31000 -0.42000 -1.19000 -9.68000 -1.45000 8.91000 -13.23000 1.39000 4.73000 5.38000 0.00000 0.00000 0.00000 0.06000 0.72000 0.00000 -0.85000 0.00000 -0.96000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_2.PDB 4.73993 -8.82000 -1.19000 -1.44000 -10.26000 -2.33000 9.75000 -13.58000 0.71000 6.28000 5.21000 0.00000 0.00000 0.00000 0.10000 0.88000 0.00000 -0.51000 0.00000 -1.55000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_3.PDB 4.11501 -7.00000 -0.03000 -2.78000 -8.87000 -1.82000 9.09000 -11.59000 0.42000 4.72000 5.11000 0.00000 0.00000 0.00000 0.43000 0.53000 0.00000 -0.63000 0.00000 -1.05000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_4.PDB 4.00701 -7.36000 -0.36000 -0.42000 -9.94000 -1.44000 9.35000 -13.99000 1.00000 5.08000 4.87000 0.00000 0.00000 0.00000 0.07000 0.73000 0.00000 -0.78000 0.00000 -0.80000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_5.PDB 3.50673 -8.13000 -0.41000 -2.17000 -9.80000 -2.52000 9.77000 -12.85000 0.93000 5.91000 5.25000 0.00000 0.00000 0.00000 0.09000 0.64000 0.00000 -0.63000 0.00000 -1.68000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_6.PDB 3.80674 -8.83000 -0.48000 -1.21000 -9.81000 -1.77000 8.83000 -13.76000 0.90000 5.56000 4.76000 0.00000 0.00000 0.00000 0.07000 0.59000 0.00000 -0.70000 0.00000 -1.20000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_7.PDB 4.58325 -7.94000 -0.38000 -1.17000 -9.67000 -1.76000 9.17000 -13.15000 1.07000 4.36000 4.68000 0.00000 0.00000 0.00000 0.49000 0.57000 0.00000 -0.57000 0.00000 -1.02000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_8.PDB 3.78050 -7.48000 -0.37000 -0.96000 -9.72000 -1.85000 8.81000 -13.31000 0.83000 4.73000 5.92000 0.00000 0.00000 0.00000 0.08000 0.78000 0.00000 -0.57000 0.00000 -1.08000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_9.PDB 4.55949 -9.28000 -1.11000 -2.58000 -10.37000 -2.18000 10.30000 -13.75000 0.81000 6.51000 5.03000 0.00000 0.00000 0.00000 0.09000 0.75000 0.00000 -0.61000 0.00000 -1.43000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_10.PDB 4.48867 -8.10000 -0.43000 -1.39000 -9.91000 -1.90000 8.89000 -13.72000 1.07000 5.40000 5.73000 0.00000 0.00000 0.00000 0.15000 0.76000 0.00000 -0.56000 0.00000 -1.42000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_11.PDB 4.01609 -4.94000 -0.37000 -1.15000 -8.76000 -1.12000 8.56000 -12.03000 0.57000 4.71000 5.59000 0.00000 0.00000 0.00000 0.06000 0.54000 0.00000 -0.39000 0.00000 -0.62000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_12.PDB 3.84210 -7.99000 -0.37000 -2.82000 -9.12000 -1.65000 8.74000 -12.33000 0.69000 5.15000 5.24000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.54000 0.00000 -1.07000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_13.PDB 4.13605 -6.87000 -0.84000 -1.60000 -9.59000 -1.71000 9.76000 -12.62000 0.56000 4.91000 5.81000 0.00000 0.00000 0.00000 0.11000 1.05000 0.00000 -0.63000 0.00000 -1.03000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_14.PDB 3.87098 -5.64000 -0.37000 -0.82000 -9.09000 -1.36000 9.22000 -12.33000 0.50000 4.92000 4.72000 0.00000 0.00000 0.00000 0.09000 0.48000 0.00000 -0.30000 0.00000 -0.83000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_15.PDB 3.80594 -9.79000 -1.58000 -3.05000 -10.98000 -2.65000 12.01000 -13.94000 0.63000 7.24000 4.76000 0.00000 0.00000 0.00000 0.13000 1.15000 0.00000 -0.71000 0.00000 -1.64000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_16.PDB 3.93334 -9.43000 -1.23000 -3.55000 -10.58000 -2.55000 11.15000 -13.65000 0.62000 7.36000 5.09000 0.00000 0.00000 0.00000 0.09000 0.94000 0.00000 -0.52000 0.00000 -1.66000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_17.PDB 4.32798 -9.43000 -0.95000 -1.86000 -10.49000 -2.46000 10.52000 -13.81000 1.18000 6.47000 3.58000 0.00000 0.00000 0.00000 0.50000 0.65000 0.00000 -0.39000 0.00000 -1.72000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_18.PDB 4.02870 -9.93000 -1.10000 -1.88000 -10.22000 -2.56000 9.87000 -13.52000 0.94000 6.37000 4.28000 0.00000 0.00000 0.00000 0.11000 0.85000 0.00000 -0.49000 0.00000 -1.74000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_19.PDB 3.42204 -4.05000 -0.37000 -1.13000 -9.45000 -1.19000 8.85000 -13.17000 1.56000 5.22000 6.55000 0.00000 0.00000 0.00000 0.08000 0.48000 0.00000 -0.45000 0.00000 -0.56000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_20.PDB 4.47807 -6.72000 -1.19000 -2.07000 -9.16000 -1.50000 9.52000 -12.12000 0.55000 5.19000 5.50000 0.00000 0.00000 0.00000 0.10000 1.10000 0.00000 -0.58000 0.00000 -0.97000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_21.PDB 4.12022 -6.41000 -0.99000 -1.06000 -10.20000 -1.51000 9.90000 -13.75000 0.95000 5.07000 6.40000 0.00000 0.00000 0.00000 0.13000 0.85000 0.00000 -0.56000 0.00000 -0.78000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_22.PDB 3.60290 -8.36000 -0.38000 -2.91000 -9.29000 -1.65000 8.81000 -12.60000 0.69000 5.95000 4.55000 0.00000 0.00000 0.00000 0.07000 0.79000 0.00000 -0.55000 0.00000 -1.06000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_23.PDB 3.37989 -8.39000 -0.46000 -2.33000 -9.41000 -1.28000 8.53000 -12.85000 0.44000 5.23000 5.15000 0.00000 0.00000 0.00000 0.05000 0.79000 0.00000 -0.67000 0.00000 -0.79000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_24.PDB 4.18485 -7.43000 -0.46000 -0.44000 -9.18000 -0.59000 7.51000 -13.50000 0.85000 4.44000 4.85000 0.00000 0.00000 0.00000 0.06000 0.68000 0.00000 -0.39000 0.00000 -0.58000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_25.PDB 4.10114 -8.33000 -0.44000 -1.23000 -9.40000 -1.59000 9.07000 -12.83000 0.39000 4.75000 4.41000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -0.62000 0.00000 -0.89000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_26.PDB 3.44876 -8.65000 -0.37000 -2.52000 -9.55000 -1.90000 9.80000 -12.58000 0.50000 4.69000 4.94000 0.00000 0.00000 0.00000 0.11000 0.82000 0.00000 -0.45000 0.00000 -1.33000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_27.PDB 4.10577 -8.54000 -1.00000 -1.75000 -9.68000 -2.44000 9.72000 -12.52000 0.46000 5.99000 4.96000 0.00000 0.00000 0.00000 0.08000 0.67000 0.00000 -0.66000 0.00000 -1.69000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_28.PDB 4.19180 -7.47000 -1.06000 -1.79000 -9.80000 -1.69000 9.35000 -13.33000 0.70000 5.42000 6.18000 0.00000 0.00000 0.00000 0.13000 0.90000 0.00000 -0.49000 0.00000 -1.09000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_29.PDB 4.22703 -9.28000 -1.45000 -2.10000 -10.51000 -2.21000 10.89000 -13.64000 0.52000 6.51000 5.27000 0.00000 0.00000 0.00000 0.11000 1.13000 0.00000 -0.94000 0.00000 -1.73000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-19_30.PDB 4.19904 -8.77000 -0.40000 -1.22000 -10.38000 -2.11000 9.66000 -14.25000 1.11000 5.50000 4.86000 0.00000 0.00000 0.00000 0.16000 0.66000 0.00000 -0.37000 0.00000 -1.32000 0.00000 2.38000 67.00000