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-17_1.PDB 2.73637 -9.64000 -0.54000 -5.62000 -9.66000 -0.94000 9.79000 -12.56000 2.68000 5.23000 3.31000 0.00000 0.00000 0.00000 0.15000 0.60000 0.00000 -0.84000 0.00000 -0.66000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_2.PDB 2.59664 -7.47000 -0.52000 -2.24000 -8.63000 -0.16000 7.72000 -11.88000 1.84000 3.44000 3.62000 0.00000 0.00000 0.00000 0.12000 0.39000 0.00000 -0.56000 0.00000 -0.23000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_3.PDB 2.95018 -5.73000 -0.52000 -1.15000 -8.79000 -0.14000 7.72000 -12.57000 1.88000 4.24000 4.19000 0.00000 0.00000 0.00000 0.08000 0.37000 0.00000 -0.41000 0.00000 -0.27000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_4.PDB 2.97715 -7.16000 -0.50000 -1.42000 -8.92000 -0.19000 7.76000 -12.64000 2.01000 4.01000 3.56000 0.00000 0.00000 0.00000 0.08000 0.41000 0.00000 -0.54000 0.00000 -0.38000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_5.PDB 3.10081 -9.69000 -0.50000 -5.33000 -9.20000 -0.81000 8.72000 -12.21000 2.72000 4.75000 3.24000 0.00000 0.00000 0.00000 0.14000 0.59000 0.00000 -0.66000 0.00000 -0.55000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_6.PDB 3.10146 -7.97000 -0.56000 -1.48000 -9.39000 -0.92000 8.67000 -12.90000 2.29000 4.36000 3.29000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.70000 0.00000 -0.73000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_7.PDB 3.51223 -8.45000 -0.51000 -6.79000 -8.64000 -0.72000 9.56000 -11.29000 2.69000 5.18000 2.93000 0.00000 0.00000 0.00000 0.07000 0.44000 0.00000 -0.40000 0.00000 -0.53000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_8.PDB 2.62588 -5.96000 -0.51000 -4.07000 -8.86000 -1.00000 10.29000 -11.39000 2.15000 5.02000 3.43000 0.00000 0.00000 0.00000 0.10000 0.43000 0.00000 -0.39000 0.00000 -0.73000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_9.PDB 2.73644 -6.44000 -0.45000 -2.78000 -8.71000 -0.32000 8.44000 -11.88000 2.19000 4.76000 3.01000 0.00000 0.00000 0.00000 0.11000 0.45000 0.00000 -0.43000 0.00000 -0.39000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_10.PDB 2.25139 -7.84000 -0.52000 -3.83000 -9.09000 -1.35000 9.35000 -11.97000 1.94000 5.56000 3.53000 0.00000 0.00000 0.00000 0.11000 0.50000 0.00000 -0.66000 0.00000 -0.90000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_11.PDB 2.96075 -8.36000 -0.40000 -3.70000 -9.62000 -1.71000 9.72000 -12.44000 2.41000 6.07000 3.20000 0.00000 0.00000 0.00000 0.12000 0.64000 0.00000 -0.74000 0.00000 -1.27000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_12.PDB 3.04472 -7.56000 -0.57000 -1.17000 -9.36000 -1.14000 8.69000 -12.78000 2.20000 4.45000 3.29000 0.00000 0.00000 0.00000 0.23000 0.47000 0.00000 -0.64000 0.00000 -0.76000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_13.PDB 2.85239 -6.45000 -0.50000 -2.73000 -8.43000 -1.02000 9.16000 -11.45000 2.06000 4.52000 3.28000 0.00000 0.00000 0.00000 0.07000 0.35000 0.00000 -0.62000 0.00000 -0.79000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_14.PDB 2.70904 -7.50000 -0.55000 -4.93000 -8.29000 -1.22000 8.52000 -11.18000 3.02000 5.57000 3.03000 0.00000 0.00000 0.00000 0.09000 0.42000 0.00000 -0.53000 0.00000 -1.03000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_15.PDB 2.84381 -8.20000 -0.52000 -3.40000 -9.52000 -1.27000 9.32000 -12.83000 2.88000 5.50000 3.25000 0.00000 0.00000 0.00000 0.14000 0.49000 0.00000 -0.84000 0.00000 -0.91000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_16.PDB 2.40633 -5.35000 -0.51000 -1.33000 -9.36000 -0.51000 9.09000 -12.44000 2.01000 5.08000 3.41000 0.00000 0.00000 0.00000 0.14000 0.42000 0.00000 -0.49000 0.00000 -0.45000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_17.PDB 2.55383 -8.54000 -0.50000 -5.95000 -8.84000 -1.46000 10.89000 -11.08000 2.03000 5.16000 2.78000 0.00000 0.00000 0.00000 0.10000 0.62000 0.00000 -0.76000 0.00000 -0.90000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_18.PDB 2.85582 -8.18000 -0.50000 -1.47000 -9.59000 -1.99000 9.68000 -12.89000 1.88000 5.46000 3.24000 0.00000 0.00000 0.00000 0.14000 0.58000 0.00000 -0.72000 0.00000 -1.42000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_19.PDB 2.98666 -6.98000 -0.52000 -3.31000 -8.96000 -0.55000 7.66000 -12.43000 3.86000 4.15000 4.06000 0.00000 0.00000 0.00000 0.05000 0.55000 0.00000 -0.59000 0.00000 -0.40000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_20.PDB 3.43997 -7.55000 -0.52000 -1.87000 -9.27000 -1.29000 9.09000 -12.45000 2.25000 4.56000 3.48000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -0.56000 0.00000 -1.03000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_21.PDB 3.77791 -8.50000 -0.51000 -5.50000 -8.27000 -0.61000 8.37000 -11.30000 2.71000 4.61000 2.99000 0.00000 0.00000 0.00000 0.08000 0.38000 0.00000 -0.56000 0.00000 -0.51000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_22.PDB 3.44930 -7.53000 -0.50000 -3.30000 -9.61000 -1.13000 9.58000 -12.61000 1.89000 5.45000 3.56000 0.00000 0.00000 0.00000 0.34000 0.60000 0.00000 -0.22000 0.00000 -0.98000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_23.PDB 4.23756 -7.50000 -0.55000 -3.25000 -9.21000 -1.01000 8.66000 -12.73000 2.99000 5.42000 3.24000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -0.46000 0.00000 -0.68000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_24.PDB 2.20642 -5.40000 -0.52000 -1.30000 -9.11000 -0.03000 8.67000 -12.48000 1.73000 4.68000 3.54000 0.00000 0.00000 0.00000 0.11000 0.46000 0.00000 -0.56000 0.00000 -0.14000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_25.PDB 4.67314 -8.02000 -0.54000 -1.09000 -9.50000 -1.58000 8.72000 -12.92000 2.86000 4.15000 3.42000 0.00000 0.00000 0.00000 0.31000 0.50000 0.00000 -0.69000 0.00000 -1.15000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_26.PDB 2.96226 -7.44000 -0.45000 -2.96000 -9.48000 -0.91000 9.41000 -12.42000 2.14000 4.85000 3.33000 0.00000 0.00000 0.00000 0.32000 0.49000 0.00000 -0.54000 0.00000 -0.73000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_27.PDB 2.56835 -7.63000 -0.59000 -3.02000 -9.80000 -0.97000 9.06000 -13.21000 3.73000 5.10000 3.19000 0.00000 0.00000 0.00000 0.08000 0.74000 0.00000 -0.55000 0.00000 -0.65000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_28.PDB 2.67067 -6.49000 -0.51000 -2.27000 -8.86000 -0.33000 8.38000 -11.92000 1.85000 4.33000 3.64000 0.00000 0.00000 0.00000 0.09000 0.42000 0.00000 -0.38000 0.00000 -0.50000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_29.PDB 2.65686 -7.46000 -0.50000 -1.42000 -9.33000 -0.79000 8.56000 -12.94000 2.15000 4.64000 3.43000 0.00000 0.00000 0.00000 0.07000 0.53000 0.00000 -0.62000 0.00000 -0.71000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-17_30.PDB 3.62994 -7.97000 -0.47000 -5.82000 -9.09000 -1.58000 9.44000 -11.70000 3.08000 6.86000 3.27000 0.00000 0.00000 0.00000 0.09000 0.62000 0.00000 -0.81000 0.00000 -1.24000 0.00000 2.38000 67.00000