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-29_1.PDB 2.91005 -15.85000 0.12000 -4.94000 -10.49000 -3.90000 9.57000 -14.30000 0.35000 7.83000 2.42000 0.00000 0.00000 0.00000 0.08000 0.95000 0.00000 -0.59000 0.00000 -1.99000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_2.PDB 3.56629 -15.58000 0.23000 -5.23000 -10.24000 -4.08000 9.68000 -13.82000 0.28000 7.53000 2.10000 0.00000 0.00000 0.00000 0.30000 0.99000 0.00000 -0.36000 0.00000 -1.99000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_3.PDB 3.65295 -15.50000 0.19000 -5.19000 -10.33000 -3.82000 9.44000 -14.06000 0.49000 7.33000 2.26000 0.00000 0.00000 0.00000 0.31000 0.91000 0.00000 -0.14000 0.00000 -1.99000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_4.PDB 3.08909 -15.60000 0.10000 -4.74000 -10.51000 -4.06000 9.90000 -14.27000 0.43000 7.54000 2.12000 0.00000 0.00000 0.00000 0.12000 0.89000 0.00000 -0.26000 0.00000 -1.96000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_5.PDB 3.21525 -15.79000 0.19000 -5.26000 -10.08000 -3.54000 9.07000 -13.65000 0.47000 6.95000 2.00000 0.00000 0.00000 0.00000 0.09000 0.89000 0.00000 -0.33000 0.00000 -1.69000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_6.PDB 3.46343 -15.40000 0.12000 -5.68000 -9.92000 -3.97000 9.32000 -13.33000 0.30000 7.49000 2.73000 0.00000 0.00000 0.00000 0.25000 0.91000 0.00000 -0.56000 0.00000 -2.17000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_7.PDB 3.39653 -15.66000 0.11000 -4.93000 -10.06000 -3.70000 9.16000 -13.61000 0.34000 6.88000 2.13000 0.00000 0.00000 0.00000 0.28000 0.99000 0.00000 -0.45000 0.00000 -1.81000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_8.PDB 4.82867 -15.49000 0.39000 -4.53000 -10.18000 -4.77000 9.96000 -13.70000 0.52000 7.27000 1.84000 0.00000 0.00000 0.00000 0.34000 0.99000 0.00000 -0.26000 0.00000 -2.36000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_9.PDB 2.94967 -14.75000 0.34000 -4.09000 -9.95000 -4.05000 9.47000 -13.39000 0.36000 6.81000 2.05000 0.00000 0.00000 0.00000 0.10000 0.83000 0.00000 -0.55000 0.00000 -1.85000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_10.PDB 3.00235 -15.94000 0.14000 -4.98000 -10.68000 -3.83000 9.27000 -14.48000 0.43000 7.30000 3.16000 0.00000 0.00000 0.00000 0.14000 0.96000 0.00000 -0.43000 0.00000 -1.98000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_11.PDB 3.32725 -15.04000 0.33000 -4.62000 -10.60000 -4.45000 10.06000 -14.23000 0.57000 7.76000 2.51000 0.00000 0.00000 0.00000 0.13000 0.90000 0.00000 -0.24000 0.00000 -2.25000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_12.PDB 3.47049 -12.62000 -0.03000 -1.74000 -8.81000 -1.75000 6.43000 -12.78000 0.52000 4.80000 2.11000 0.00000 0.00000 0.00000 0.10000 0.72000 0.00000 -0.12000 0.00000 -1.35000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_13.PDB 3.12416 -14.68000 0.35000 -4.19000 -10.08000 -3.64000 8.94000 -13.73000 0.50000 6.52000 2.46000 0.00000 0.00000 0.00000 0.12000 0.80000 0.00000 -0.26000 0.00000 -1.68000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_14.PDB 3.56338 -15.09000 0.40000 -4.85000 -10.27000 -4.51000 10.08000 -13.73000 0.48000 8.18000 1.69000 0.00000 0.00000 0.00000 0.26000 0.99000 0.00000 -0.55000 0.00000 -2.27000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_15.PDB 3.46735 -15.32000 0.39000 -5.02000 -9.53000 -3.86000 8.61000 -12.89000 0.24000 6.91000 2.01000 0.00000 0.00000 0.00000 0.32000 0.98000 0.00000 -0.42000 0.00000 -2.07000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_16.PDB 3.23146 -15.13000 0.35000 -4.83000 -10.18000 -3.89000 9.51000 -13.80000 0.24000 7.58000 2.15000 0.00000 0.00000 0.00000 0.10000 0.92000 0.00000 -0.25000 0.00000 -2.12000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_17.PDB 3.26489 -15.96000 0.10000 -4.42000 -10.09000 -4.03000 9.28000 -13.66000 0.36000 6.67000 1.91000 0.00000 0.00000 0.00000 0.11000 0.86000 0.00000 -0.26000 0.00000 -1.92000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_18.PDB 2.90461 -15.16000 0.18000 -4.36000 -10.22000 -3.43000 9.22000 -13.93000 0.59000 6.58000 2.41000 0.00000 0.00000 0.00000 0.15000 1.03000 0.00000 -0.45000 0.00000 -1.90000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_19.PDB 2.87389 -16.35000 0.07000 -5.27000 -10.08000 -4.13000 9.26000 -13.52000 0.41000 7.19000 2.72000 0.00000 0.00000 0.00000 0.08000 0.97000 0.00000 -0.78000 0.00000 -2.30000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_20.PDB 3.18562 -15.64000 0.40000 -5.04000 -9.91000 -4.00000 9.27000 -13.42000 0.19000 7.22000 1.88000 0.00000 0.00000 0.00000 0.12000 0.82000 0.00000 -0.45000 0.00000 -1.89000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_21.PDB 3.10667 -15.57000 0.09000 -4.92000 -10.59000 -3.91000 9.81000 -14.36000 0.63000 7.87000 2.36000 0.00000 0.00000 0.00000 0.10000 0.95000 0.00000 -0.54000 0.00000 -2.11000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_22.PDB 2.97841 -15.56000 0.15000 -5.15000 -9.78000 -3.72000 8.89000 -13.21000 0.33000 7.05000 2.26000 0.00000 0.00000 0.00000 0.15000 0.97000 0.00000 -0.48000 0.00000 -2.04000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_23.PDB 3.44979 -16.38000 0.08000 -5.10000 -10.73000 -3.93000 9.96000 -14.45000 0.25000 7.89000 2.29000 0.00000 0.00000 0.00000 0.25000 0.97000 0.00000 -0.74000 0.00000 -2.16000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_24.PDB 3.38510 -16.21000 0.09000 -5.17000 -10.66000 -3.75000 9.46000 -14.52000 0.47000 7.30000 2.92000 0.00000 0.00000 0.00000 0.18000 1.00000 0.00000 -0.56000 0.00000 -1.98000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_25.PDB 3.19589 -14.26000 0.37000 -4.01000 -9.87000 -3.66000 8.65000 -13.45000 0.36000 6.31000 2.65000 0.00000 0.00000 0.00000 0.21000 0.87000 0.00000 -0.23000 0.00000 -1.60000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_26.PDB 3.25370 -16.72000 0.07000 -6.12000 -9.88000 -3.99000 9.03000 -13.39000 0.60000 7.55000 2.58000 0.00000 0.00000 0.00000 0.11000 0.96000 0.00000 -0.90000 0.00000 -2.40000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_27.PDB 3.41744 -15.52000 0.39000 -4.84000 -10.08000 -4.19000 9.38000 -13.58000 0.43000 7.80000 2.26000 0.00000 0.00000 0.00000 0.13000 1.01000 0.00000 -0.71000 0.00000 -2.51000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_28.PDB 3.27227 -16.02000 0.15000 -5.25000 -9.87000 -4.28000 9.27000 -13.26000 0.49000 7.11000 2.42000 0.00000 0.00000 0.00000 0.15000 0.95000 0.00000 -0.64000 0.00000 -2.32000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_29.PDB 3.47556 -15.64000 0.27000 -5.08000 -10.56000 -4.47000 10.38000 -14.12000 0.38000 8.12000 2.48000 0.00000 0.00000 0.00000 0.16000 0.99000 0.00000 -0.72000 0.00000 -2.48000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-29_30.PDB 3.27212 -15.12000 0.36000 -4.99000 -9.87000 -3.27000 8.56000 -13.45000 0.51000 6.41000 2.59000 0.00000 0.00000 0.00000 0.17000 0.86000 0.00000 -0.56000 0.00000 -1.58000 0.00000 2.38000 68.00000