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-18_1.PDB 22.11000 -42.95000 -10.15000 -70.40000 -0.72000 85.06000 -92.15000 15.72000 35.18000 100.65000 0.00000 0.00000 0.00000 4.52000 22.48000 0.00000 -2.19000 0.00000 -0.45000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_2.PDB 21.37000 -40.60000 -9.42000 -70.47000 -0.15000 83.56000 -93.16000 15.81000 33.79000 99.67000 0.00000 0.00000 0.00000 4.29000 22.42000 0.00000 -1.71000 0.00000 -0.25000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_3.PDB 22.21000 -40.69000 -9.07000 -70.51000 -0.29000 84.14000 -93.21000 16.55000 33.65000 99.57000 0.00000 0.00000 0.00000 4.16000 22.55000 0.00000 -1.88000 0.00000 -0.21000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_4.PDB 23.14000 -41.48000 -8.70000 -70.59000 0.20000 84.30000 -93.19000 16.29000 33.82000 99.99000 0.00000 0.00000 0.00000 4.29000 22.58000 0.00000 -1.92000 0.00000 0.12000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_5.PDB 21.07000 -41.23000 -9.95000 -70.33000 -0.47000 84.06000 -92.36000 15.67000 34.21000 99.33000 0.00000 0.00000 0.00000 4.27000 22.55000 0.00000 -1.84000 0.00000 -0.29000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_6.PDB 20.28000 -41.46000 -10.31000 -70.56000 -0.10000 84.05000 -92.85000 14.75000 34.56000 100.03000 0.00000 0.00000 0.00000 4.10000 22.41000 0.00000 -1.85000 0.00000 -0.05000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_7.PDB 22.33000 -41.55000 -8.73000 -70.86000 -0.46000 85.07000 -93.11000 15.52000 34.48000 99.71000 0.00000 0.00000 0.00000 4.39000 22.40000 0.00000 -1.89000 0.00000 -0.25000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_8.PDB 21.28000 -41.46000 -10.34000 -70.55000 0.11000 84.07000 -93.06000 15.79000 34.25000 99.85000 0.00000 0.00000 0.00000 4.28000 22.57000 0.00000 -1.73000 0.00000 0.08000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_9.PDB 21.45000 -41.50000 -9.59000 -70.65000 -0.99000 84.65000 -93.20000 16.31000 35.30000 99.65000 0.00000 0.00000 0.00000 4.09000 22.52000 0.00000 -1.78000 0.00000 -0.85000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_10.PDB 21.98000 -41.20000 -9.27000 -71.80000 -0.56000 85.91000 -94.71000 16.38000 35.52000 100.00000 0.00000 0.00000 0.00000 4.26000 22.62000 0.00000 -1.96000 0.00000 -0.60000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_11.PDB 20.86000 -40.70000 -10.74000 -70.87000 -0.77000 84.46000 -93.74000 15.78000 35.54000 100.20000 0.00000 0.00000 0.00000 4.14000 22.57000 0.00000 -1.76000 0.00000 -0.68000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_12.PDB 21.98000 -41.44000 -9.51000 -71.60000 -0.29000 85.32000 -94.74000 17.53000 35.42000 99.81000 0.00000 0.00000 0.00000 3.71000 22.53000 0.00000 -1.76000 0.00000 -0.45000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_13.PDB 21.58000 -40.67000 -10.49000 -70.43000 -1.28000 83.99000 -92.57000 16.21000 35.27000 100.13000 0.00000 0.00000 0.00000 4.24000 22.54000 0.00000 -1.73000 0.00000 -1.09000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_14.PDB 22.90000 -40.63000 -8.70000 -70.56000 -0.63000 84.03000 -92.98000 16.09000 34.76000 100.22000 0.00000 0.00000 0.00000 3.91000 22.55000 0.00000 -1.79000 0.00000 -0.81000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_15.PDB 22.21000 -41.48000 -9.55000 -71.68000 -0.90000 85.99000 -94.16000 16.26000 35.93000 100.02000 0.00000 0.00000 0.00000 4.26000 22.63000 0.00000 -1.73000 0.00000 -0.75000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_16.PDB 22.78000 -40.69000 -8.75000 -71.84000 -0.32000 85.07000 -94.70000 17.09000 35.06000 100.78000 0.00000 0.00000 0.00000 3.50000 22.63000 0.00000 -1.94000 0.00000 -0.48000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_17.PDB 21.02000 -41.39000 -8.63000 -70.28000 -0.50000 83.83000 -92.79000 15.46000 33.82000 99.48000 0.00000 0.00000 0.00000 4.07000 22.69000 0.00000 -1.72000 0.00000 -0.33000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_18.PDB 20.65000 -41.44000 -8.68000 -70.64000 0.12000 84.00000 -93.45000 14.99000 33.91000 99.27000 0.00000 0.00000 0.00000 4.25000 22.61000 0.00000 -1.69000 0.00000 0.01000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_19.PDB 20.74000 -41.54000 -10.29000 -70.47000 -0.80000 84.57000 -92.78000 14.93000 34.69000 100.21000 0.00000 0.00000 0.00000 4.55000 22.50000 0.00000 -1.68000 0.00000 -0.65000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_20.PDB 23.27000 -41.46000 -8.66000 -71.13000 -0.44000 85.18000 -93.83000 17.25000 34.32000 100.04000 0.00000 0.00000 0.00000 4.27000 22.67000 0.00000 -1.99000 0.00000 -0.30000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_21.PDB 22.33000 -41.45000 -8.64000 -70.23000 -0.20000 83.77000 -92.99000 17.77000 33.75000 99.31000 0.00000 0.00000 0.00000 3.09000 22.62000 0.00000 -1.71000 0.00000 -0.13000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_22.PDB 22.08000 -41.21000 -8.40000 -71.63000 0.12000 85.30000 -94.67000 15.45000 34.12000 100.24000 0.00000 0.00000 0.00000 4.45000 22.57000 0.00000 -1.69000 0.00000 0.02000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_23.PDB 18.49000 -41.52000 -9.47000 -69.56000 -0.84000 83.72000 -91.69000 13.42000 34.21000 98.32000 0.00000 0.00000 0.00000 4.29000 22.46000 0.00000 -1.78000 0.00000 -0.61000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_24.PDB 22.41000 -41.36000 -8.55000 -71.91000 -0.13000 85.68000 -94.81000 15.30000 34.75000 100.83000 0.00000 0.00000 0.00000 4.68000 22.55000 0.00000 -1.88000 0.00000 -0.19000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_25.PDB 20.97000 -41.55000 -8.74000 -71.14000 -0.63000 85.57000 -93.76000 14.28000 34.56000 99.99000 0.00000 0.00000 0.00000 4.74000 22.53000 0.00000 -1.97000 0.00000 -0.40000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_26.PDB 19.27000 -41.47000 -8.67000 -71.03000 -0.17000 84.90000 -93.77000 13.94000 34.33000 98.79000 0.00000 0.00000 0.00000 4.37000 22.52000 0.00000 -1.83000 0.00000 -0.12000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_27.PDB 23.64000 -41.56000 -8.77000 -71.19000 -0.13000 85.22000 -94.11000 17.55000 34.28000 99.87000 0.00000 0.00000 0.00000 4.41000 22.51000 0.00000 -1.85000 0.00000 -0.09000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_28.PDB 21.28000 -40.64000 -7.83000 -70.66000 0.34000 83.18000 -93.81000 14.79000 33.08000 99.70000 0.00000 0.00000 0.00000 4.86000 22.52000 0.00000 -1.81000 0.00000 0.07000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_29.PDB 21.49000 -41.43000 -8.62000 -71.48000 -0.10000 84.76000 -94.35000 15.60000 34.57000 100.13000 0.00000 0.00000 0.00000 4.34000 22.50000 0.00000 -1.82000 0.00000 -0.10000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-18_30.PDB 21.75000 -42.30000 -9.49000 -70.47000 -0.62000 84.06000 -92.71000 16.38000 34.94000 99.99000 0.00000 0.00000 0.00000 4.21000 22.52000 0.00000 -1.84000 0.00000 -0.40000 0.00000 0.00000 68.00000