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-28_1.PDB 14.59000 -41.42000 -13.36000 -72.20000 -2.57000 90.46000 -92.57000 10.87000 38.79000 97.78000 0.00000 0.00000 0.00000 3.54000 22.45000 0.00000 -2.24000 0.00000 -2.49000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_2.PDB 15.17000 -41.77000 -12.11000 -72.71000 -3.76000 92.20000 -92.56000 10.49000 39.29000 99.14000 0.00000 0.00000 0.00000 2.92000 23.56000 0.00000 -3.19000 0.00000 -2.76000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_3.PDB 14.80000 -42.00000 -12.30000 -72.25000 -1.98000 90.00000 -93.05000 10.11000 37.93000 99.56000 0.00000 0.00000 0.00000 3.22000 23.52000 0.00000 -2.25000 0.00000 -2.19000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_4.PDB 16.60000 -41.11000 -11.40000 -72.64000 -3.31000 91.52000 -92.97000 10.19000 38.39000 99.95000 0.00000 0.00000 0.00000 3.71000 23.39000 0.00000 -3.08000 0.00000 -2.66000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_5.PDB 17.42000 -41.87000 -12.22000 -73.03000 -2.44000 91.22000 -93.74000 11.76000 38.37000 100.18000 0.00000 0.00000 0.00000 3.31000 22.70000 0.00000 -2.00000 0.00000 -2.13000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_6.PDB 16.34000 -40.19000 -11.40000 -70.98000 -0.70000 88.45000 -91.54000 10.52000 36.36000 96.13000 0.00000 0.00000 0.00000 3.73000 22.23000 0.00000 -2.80000 0.00000 -1.23000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_7.PDB 17.32000 -42.20000 -13.13000 -73.47000 -2.80000 92.09000 -94.02000 11.84000 39.00000 101.45000 0.00000 0.00000 0.00000 3.48000 23.23000 0.00000 -2.22000 0.00000 -2.70000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_8.PDB 14.33000 -41.34000 -15.09000 -72.32000 -1.72000 90.62000 -92.77000 10.18000 38.67000 99.22000 0.00000 0.00000 0.00000 2.74000 23.69000 0.00000 -2.26000 0.00000 -1.59000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_9.PDB 16.17000 -39.66000 -12.61000 -70.81000 -1.18000 88.60000 -91.38000 10.16000 36.84000 97.31000 0.00000 0.00000 0.00000 3.06000 23.13000 0.00000 -2.80000 0.00000 -1.38000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_10.PDB 17.17000 -40.87000 -11.10000 -70.89000 -1.76000 88.43000 -91.73000 11.18000 37.09000 98.56000 0.00000 0.00000 0.00000 3.16000 22.35000 0.00000 -2.79000 0.00000 -2.09000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_11.PDB 16.28000 -41.58000 -14.67000 -73.28000 -2.90000 92.83000 -93.63000 9.74000 39.70000 101.34000 0.00000 0.00000 0.00000 3.86000 23.79000 0.00000 -2.28000 0.00000 -2.85000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_12.PDB 13.26000 -41.87000 -16.94000 -74.81000 -5.04000 95.22000 -94.37000 11.34000 41.33000 101.13000 0.00000 0.00000 0.00000 3.58000 23.76000 0.00000 -2.62000 0.00000 -3.70000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_13.PDB 16.75000 -39.00000 -10.10000 -69.71000 -1.28000 86.31000 -90.99000 10.93000 34.91000 96.56000 0.00000 0.00000 0.00000 3.13000 22.31000 0.00000 -2.56000 0.00000 -1.46000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_14.PDB 14.93000 -40.85000 -11.10000 -71.35000 -2.50000 88.82000 -92.36000 10.11000 36.21000 99.77000 0.00000 0.00000 0.00000 2.98000 23.76000 0.00000 -2.71000 0.00000 -2.08000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_15.PDB 15.58000 -40.28000 -11.05000 -71.18000 -2.22000 88.58000 -92.14000 10.08000 35.91000 99.45000 0.00000 0.00000 0.00000 2.92000 23.69000 0.00000 -2.43000 0.00000 -2.07000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_16.PDB 17.20000 -42.50000 -12.25000 -71.52000 -1.25000 89.55000 -92.13000 10.10000 37.43000 100.56000 0.00000 0.00000 0.00000 3.18000 23.75000 0.00000 -2.54000 0.00000 -1.43000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_17.PDB 17.27000 -41.09000 -12.51000 -71.12000 -1.02000 89.26000 -91.80000 11.48000 37.65000 97.44000 0.00000 0.00000 0.00000 3.15000 22.48000 0.00000 -2.71000 0.00000 -1.46000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_18.PDB 17.87000 -41.01000 -11.15000 -70.97000 -0.94000 88.75000 -91.81000 10.93000 36.72000 98.33000 0.00000 0.00000 0.00000 3.33000 23.17000 0.00000 -2.71000 0.00000 -1.60000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_19.PDB 15.78000 -40.61000 -15.28000 -73.30000 -3.42000 93.67000 -93.48000 10.98000 38.98000 100.77000 0.00000 0.00000 0.00000 3.04000 23.50000 0.00000 -2.70000 0.00000 -2.87000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_20.PDB 16.41000 -41.91000 -15.63000 -73.23000 -3.46000 93.40000 -93.28000 11.73000 39.45000 100.38000 0.00000 0.00000 0.00000 3.94000 22.67000 0.00000 -2.41000 0.00000 -2.59000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_21.PDB 17.66000 -39.72000 -9.93000 -70.81000 -1.74000 88.43000 -91.83000 10.30000 36.00000 98.74000 0.00000 0.00000 0.00000 3.28000 23.14000 0.00000 -3.12000 0.00000 -1.95000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_22.PDB 16.80000 -39.73000 -9.90000 -70.30000 -1.75000 87.01000 -91.36000 10.53000 36.08000 97.95000 0.00000 0.00000 0.00000 2.93000 22.37000 0.00000 -2.81000 0.00000 -1.85000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_23.PDB 17.47000 -42.21000 -15.19000 -73.37000 -3.64000 94.66000 -92.87000 10.62000 40.66000 100.02000 0.00000 0.00000 0.00000 3.55000 23.63000 0.00000 -2.38000 0.00000 -2.37000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_24.PDB 15.15000 -40.38000 -13.65000 -71.38000 -1.62000 89.25000 -92.07000 9.87000 36.96000 98.90000 0.00000 0.00000 0.00000 2.85000 23.55000 0.00000 -2.25000 0.00000 -1.33000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_25.PDB 17.42000 -40.52000 -11.73000 -72.81000 -3.18000 91.41000 -93.59000 10.96000 36.94000 101.42000 0.00000 0.00000 0.00000 3.23000 23.53000 0.00000 -2.18000 0.00000 -2.53000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_26.PDB 16.35000 -41.16000 -13.06000 -70.89000 -1.82000 89.69000 -90.97000 10.67000 36.91000 97.50000 0.00000 0.00000 0.00000 3.39000 22.31000 0.00000 -2.20000 0.00000 -1.71000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_27.PDB 15.18000 -39.49000 -10.57000 -70.50000 -1.22000 87.28000 -91.43000 10.70000 36.19000 95.57000 0.00000 0.00000 0.00000 2.74000 22.22000 0.00000 -2.58000 0.00000 -1.51000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_28.PDB 15.77000 -39.62000 -10.63000 -70.84000 -1.97000 88.06000 -91.69000 10.33000 36.94000 97.07000 0.00000 0.00000 0.00000 2.86000 23.02000 0.00000 -2.77000 0.00000 -1.95000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_29.PDB 15.79000 -41.37000 -12.94000 -71.54000 -1.16000 89.36000 -92.03000 10.28000 36.81000 99.23000 0.00000 0.00000 0.00000 2.83000 23.50000 0.00000 -2.38000 0.00000 -1.29000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-28_30.PDB 15.71000 -40.39000 -11.04000 -72.25000 -3.57000 90.86000 -92.34000 10.42000 38.03000 97.84000 0.00000 0.00000 0.00000 3.32000 23.40000 0.00000 -2.58000 0.00000 -2.60000 0.00000 0.00000 68.00000