name total energy Backbone Hbon 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-21_1.PDB 24.89000 -43.34000 -10.43000 -72.71000 -0.39000 89.15000 -94.65000 16.27000 36.46000 105.30000 0.00000 0.00000 0.00000 2.58000 29.25000 0.00000 -2.38000 0.00000 -0.97000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_2.PDB 23.86000 -44.09000 -11.19000 -72.76000 -0.30000 90.23000 -94.49000 15.99000 37.28000 104.63000 0.00000 0.00000 0.00000 2.69000 29.48000 0.00000 -3.04000 0.00000 -1.09000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_3.PDB 21.19000 -43.49000 -10.59000 -71.99000 -0.34000 88.86000 -93.51000 13.72000 36.02000 103.44000 0.00000 0.00000 0.00000 2.81000 29.11000 0.00000 -2.92000 0.00000 -0.82000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_4.PDB 21.47000 -43.37000 -10.51000 -72.29000 -0.67000 89.19000 -93.67000 13.93000 36.49000 103.55000 0.00000 0.00000 0.00000 2.69000 29.25000 0.00000 -2.80000 0.00000 -1.06000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_5.PDB 22.99000 -44.96000 -12.15000 -73.21000 -0.46000 90.15000 -95.18000 16.75000 38.49000 105.29000 0.00000 0.00000 0.00000 2.73000 29.45000 0.00000 -3.33000 0.00000 -1.14000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_6.PDB 24.92000 -44.14000 -11.30000 -72.91000 -0.29000 89.56000 -94.89000 17.66000 37.52000 105.24000 0.00000 0.00000 0.00000 2.74000 29.40000 0.00000 -3.27000 0.00000 -1.01000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_7.PDB 26.27000 -43.83000 -10.96000 -72.78000 -1.91000 90.36000 -93.59000 18.98000 36.59000 105.25000 0.00000 0.00000 0.00000 2.76000 29.08000 0.00000 -2.87000 0.00000 -1.72000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_8.PDB 25.18000 -43.65000 -12.49000 -72.45000 -0.78000 91.67000 -93.21000 15.38000 36.90000 104.88000 0.00000 0.00000 0.00000 3.42000 29.24000 0.00000 -3.14000 0.00000 -1.34000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_9.PDB 25.55000 -44.12000 -11.95000 -72.19000 -1.15000 91.34000 -92.96000 16.37000 37.78000 104.98000 0.00000 0.00000 0.00000 2.81000 29.52000 0.00000 -3.51000 0.00000 -1.86000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_10.PDB 27.21000 -44.04000 -11.54000 -72.64000 -0.30000 90.41000 -93.78000 17.93000 37.78000 105.09000 0.00000 0.00000 0.00000 2.97000 29.45000 0.00000 -3.36000 0.00000 -1.32000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_11.PDB 22.72000 -42.54000 -9.71000 -71.13000 -0.75000 87.99000 -92.00000 14.18000 35.92000 102.35000 0.00000 0.00000 0.00000 2.85000 28.84000 0.00000 -3.21000 0.00000 -1.23000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_12.PDB 25.72000 -43.54000 -12.36000 -71.99000 -0.71000 90.86000 -92.76000 15.77000 36.56000 104.58000 0.00000 0.00000 0.00000 3.30000 29.08000 0.00000 -2.64000 0.00000 -1.34000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_13.PDB 21.84000 -43.58000 -12.23000 -71.73000 -1.07000 90.79000 -92.12000 13.57000 36.30000 103.20000 0.00000 0.00000 0.00000 3.24000 28.91000 0.00000 -3.36000 0.00000 -1.16000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_14.PDB 25.82000 -44.47000 -11.41000 -72.52000 -1.33000 92.12000 -92.88000 15.64000 37.31000 105.06000 0.00000 0.00000 0.00000 2.87000 29.53000 0.00000 -2.83000 0.00000 -1.75000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_15.PDB 21.97000 -43.96000 -11.79000 -72.13000 -0.45000 90.46000 -93.05000 13.85000 37.05000 103.63000 0.00000 0.00000 0.00000 2.68000 29.32000 0.00000 -3.22000 0.00000 -1.10000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_16.PDB 22.65000 -42.98000 -9.99000 -72.10000 -1.20000 89.05000 -92.86000 14.72000 37.01000 102.83000 0.00000 0.00000 0.00000 2.73000 29.06000 0.00000 -3.08000 0.00000 -1.49000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_17.PDB 23.96000 -43.55000 -10.78000 -72.92000 -0.80000 90.17000 -94.31000 15.24000 36.59000 105.13000 0.00000 0.00000 0.00000 2.97000 29.84000 0.00000 -2.91000 0.00000 -0.86000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_18.PDB 22.97000 -42.74000 -11.44000 -71.63000 -1.15000 89.85000 -92.14000 14.33000 35.61000 103.21000 0.00000 0.00000 0.00000 3.32000 28.84000 0.00000 -2.86000 0.00000 -1.39000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_19.PDB 22.68000 -43.08000 -10.28000 -71.53000 -0.57000 89.38000 -92.22000 13.30000 35.52000 103.56000 0.00000 0.00000 0.00000 2.99000 29.11000 0.00000 -3.16000 0.00000 -1.23000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_20.PDB 25.81000 -43.66000 -11.58000 -72.98000 -1.14000 91.84000 -93.98000 14.88000 37.78000 106.50000 0.00000 0.00000 0.00000 3.00000 29.20000 0.00000 -3.37000 0.00000 -1.47000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_21.PDB 24.27000 -42.60000 -9.88000 -72.58000 -0.63000 89.04000 -94.30000 15.75000 35.28000 104.71000 0.00000 0.00000 0.00000 2.69000 29.56000 0.00000 -2.36000 0.00000 -0.86000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_22.PDB 20.79000 -43.39000 -10.68000 -71.78000 -0.42000 88.74000 -93.10000 13.26000 35.58000 103.30000 0.00000 0.00000 0.00000 2.62000 29.47000 0.00000 -2.72000 0.00000 -0.62000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_23.PDB 26.31000 -42.71000 -9.59000 -72.38000 -0.52000 89.44000 -93.57000 16.35000 36.33000 104.73000 0.00000 0.00000 0.00000 2.71000 29.07000 0.00000 -2.98000 0.00000 -1.50000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_24.PDB 27.58000 -42.62000 -10.53000 -72.31000 -1.07000 89.89000 -93.65000 15.94000 37.19000 106.16000 0.00000 0.00000 0.00000 2.83000 28.56000 0.00000 -2.83000 0.00000 -1.43000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_25.PDB 23.97000 -42.51000 -9.43000 -71.27000 -0.53000 88.47000 -92.47000 12.57000 35.68000 104.55000 0.00000 0.00000 0.00000 2.61000 28.60000 0.00000 -2.83000 0.00000 -0.86000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_26.PDB 24.79000 -43.59000 -12.32000 -72.21000 -0.91000 90.79000 -93.05000 15.67000 36.75000 104.76000 0.00000 0.00000 0.00000 3.28000 29.15000 0.00000 -3.03000 0.00000 -1.36000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_27.PDB 25.79000 -43.48000 -11.51000 -72.35000 -0.84000 90.28000 -93.04000 16.44000 36.78000 105.33000 0.00000 0.00000 0.00000 2.75000 29.50000 0.00000 -2.99000 0.00000 -1.56000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_28.PDB 25.05000 -43.63000 -10.90000 -72.60000 -0.46000 89.85000 -94.24000 16.41000 36.27000 104.97000 0.00000 0.00000 0.00000 2.64000 29.74000 0.00000 -2.45000 0.00000 -0.83000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_29.PDB 22.51000 -43.15000 -10.36000 -71.24000 -0.87000 88.04000 -92.60000 14.81000 34.52000 103.79000 0.00000 0.00000 0.00000 2.66000 29.12000 0.00000 -2.26000 0.00000 -0.84000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-21_30.PDB 25.41000 -43.53000 -11.08000 -71.91000 -0.87000 89.15000 -93.06000 16.97000 37.26000 104.82000 0.00000 0.00000 0.00000 2.85000 29.34000 0.00000 -3.53000 0.00000 -1.66000 0.00000 0.00000 68.00000