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-1_1.PDB 12.55000 -42.05000 -13.37000 -73.34000 -3.47000 89.83000 -94.56000 11.85000 38.99000 98.43000 0.00000 0.00000 0.00000 5.47000 22.10000 0.00000 -3.17000 0.00000 -2.05000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_2.PDB 11.44000 -41.63000 -13.25000 -75.50000 -5.59000 92.63000 -96.72000 11.42000 40.03000 100.03000 0.00000 0.00000 0.00000 6.04000 21.99000 0.00000 -3.53000 0.00000 -2.50000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_3.PDB 11.14000 -42.48000 -14.26000 -74.25000 -3.45000 90.94000 -95.49000 11.22000 39.90000 98.54000 0.00000 0.00000 0.00000 5.66000 22.12000 0.00000 -2.94000 0.00000 -2.24000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_4.PDB 12.05000 -42.20000 -13.78000 -73.92000 -3.29000 90.27000 -94.96000 10.92000 39.20000 99.03000 0.00000 0.00000 0.00000 5.87000 22.11000 0.00000 -2.93000 0.00000 -2.16000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_5.PDB 12.52000 -41.65000 -12.85000 -74.99000 -4.18000 91.07000 -96.99000 13.32000 39.53000 98.77000 0.00000 0.00000 0.00000 5.95000 22.08000 0.00000 -3.23000 0.00000 -2.22000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_6.PDB 12.20000 -39.91000 -13.28000 -74.87000 -4.29000 90.42000 -96.73000 11.55000 38.89000 99.13000 0.00000 0.00000 0.00000 5.95000 21.74000 0.00000 -2.32000 0.00000 -2.35000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_7.PDB 11.53000 -42.53000 -12.15000 -74.69000 -4.61000 91.51000 -96.30000 11.14000 39.92000 98.82000 0.00000 0.00000 0.00000 6.10000 22.01000 0.00000 -2.99000 0.00000 -2.69000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_8.PDB 13.65000 -42.48000 -12.13000 -75.22000 -4.57000 92.33000 -96.52000 12.44000 39.71000 99.22000 0.00000 0.00000 0.00000 6.13000 21.99000 0.00000 -2.55000 0.00000 -2.72000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_9.PDB 17.13000 -41.67000 -11.24000 -72.88000 -3.97000 89.88000 -94.00000 12.86000 37.17000 98.62000 0.00000 0.00000 0.00000 6.06000 21.94000 0.00000 -1.84000 0.00000 -1.88000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_10.PDB 16.41000 -39.63000 -9.14000 -72.86000 -3.70000 88.66000 -94.44000 11.16000 36.56000 97.81000 0.00000 0.00000 0.00000 6.62000 21.70000 0.00000 -2.56000 0.00000 -2.07000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_11.PDB 16.88000 -41.13000 -10.69000 -73.21000 -3.57000 89.69000 -94.78000 12.38000 37.60000 98.39000 0.00000 0.00000 0.00000 6.15000 22.06000 0.00000 -1.86000 0.00000 -2.10000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_12.PDB 15.48000 -41.21000 -9.98000 -73.49000 -3.25000 89.30000 -95.77000 11.40000 37.50000 98.63000 0.00000 0.00000 0.00000 6.15000 22.00000 0.00000 -2.16000 0.00000 -1.65000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_13.PDB 16.40000 -41.26000 -10.85000 -73.51000 -3.54000 90.46000 -94.94000 11.94000 37.76000 98.85000 0.00000 0.00000 0.00000 5.62000 22.04000 0.00000 -1.99000 0.00000 -2.15000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_14.PDB 13.91000 -42.39000 -11.13000 -73.09000 -2.99000 89.62000 -94.74000 10.58000 37.09000 99.01000 0.00000 0.00000 0.00000 6.52000 21.85000 0.00000 -2.79000 0.00000 -1.79000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_15.PDB 11.27000 -43.73000 -13.70000 -74.31000 -4.11000 92.55000 -94.77000 10.42000 38.98000 99.19000 0.00000 0.00000 0.00000 5.64000 22.04000 0.00000 -2.59000 0.00000 -2.30000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_16.PDB 13.12000 -40.88000 -12.33000 -74.10000 -4.30000 90.72000 -94.98000 12.55000 37.86000 98.23000 0.00000 0.00000 0.00000 5.73000 21.93000 0.00000 -2.89000 0.00000 -2.50000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_17.PDB 13.20000 -41.89000 -13.02000 -74.35000 -4.00000 90.83000 -95.83000 12.71000 39.29000 98.61000 0.00000 0.00000 0.00000 5.69000 22.17000 0.00000 -2.70000 0.00000 -2.11000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_18.PDB 15.70000 -41.81000 -10.57000 -73.26000 -3.44000 89.83000 -95.21000 12.13000 37.70000 98.48000 0.00000 0.00000 0.00000 6.09000 21.91000 0.00000 -2.11000 0.00000 -2.13000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_19.PDB 14.74000 -43.58000 -12.79000 -73.72000 -3.94000 92.47000 -94.13000 11.50000 39.79000 98.79000 0.00000 0.00000 0.00000 5.99000 22.01000 0.00000 -3.08000 0.00000 -2.56000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_20.PDB 14.43000 -41.68000 -13.28000 -74.63000 -3.64000 90.61000 -95.99000 12.99000 39.01000 98.85000 0.00000 0.00000 0.00000 7.13000 22.13000 0.00000 -2.95000 0.00000 -1.99000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_21.PDB 11.37000 -42.26000 -11.81000 -75.39000 -4.42000 91.77000 -97.24000 11.07000 39.35000 99.48000 0.00000 0.00000 0.00000 6.11000 22.01000 0.00000 -2.70000 0.00000 -2.57000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_22.PDB 12.38000 -42.87000 -14.02000 -73.87000 -3.67000 90.88000 -95.03000 12.24000 39.85000 98.63000 0.00000 0.00000 0.00000 5.62000 22.15000 0.00000 -2.99000 0.00000 -2.40000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_23.PDB 12.10000 -41.58000 -12.22000 -74.57000 -4.44000 90.91000 -95.92000 13.03000 37.69000 99.35000 0.00000 0.00000 0.00000 4.99000 21.85000 0.00000 -2.67000 0.00000 -2.48000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_24.PDB 13.30000 -42.18000 -13.80000 -73.17000 -3.27000 90.02000 -93.79000 11.80000 38.74000 98.66000 0.00000 0.00000 0.00000 5.60000 21.98000 0.00000 -3.12000 0.00000 -2.19000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_25.PDB 13.35000 -40.73000 -12.86000 -73.80000 -3.56000 90.03000 -95.23000 10.94000 38.36000 98.64000 0.00000 0.00000 0.00000 6.68000 21.82000 0.00000 -2.75000 0.00000 -2.37000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_26.PDB 12.43000 -42.64000 -12.07000 -74.81000 -4.34000 91.40000 -96.31000 12.41000 39.32000 99.31000 0.00000 0.00000 0.00000 5.45000 22.08000 0.00000 -2.91000 0.00000 -2.37000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_27.PDB 12.26000 -41.90000 -13.23000 -74.47000 -3.61000 90.32000 -96.18000 13.06000 39.35000 98.61000 0.00000 0.00000 0.00000 5.02000 21.94000 0.00000 -2.75000 0.00000 -1.98000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_28.PDB 13.11000 -41.56000 -12.83000 -73.53000 -3.23000 89.50000 -94.86000 11.08000 38.89000 98.28000 0.00000 0.00000 0.00000 5.74000 22.06000 0.00000 -2.51000 0.00000 -1.88000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_29.PDB 13.76000 -39.80000 -13.05000 -74.19000 -4.17000 89.77000 -95.72000 12.57000 38.64000 98.87000 0.00000 0.00000 0.00000 6.02000 21.84000 0.00000 -3.00000 0.00000 -2.20000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-1_30.PDB 13.86000 -42.49000 -13.52000 -74.13000 -3.13000 91.37000 -94.79000 11.48000 38.72000 98.78000 0.00000 0.00000 0.00000 5.91000 22.04000 0.00000 -2.43000 0.00000 -1.92000 0.00000 0.00000 68.00000