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-2_1.PDB 24.64000 -40.18000 -10.43000 -69.56000 -1.05000 86.63000 -90.43000 17.95000 32.52000 97.49000 0.00000 0.00000 0.00000 5.15000 21.69000 0.00000 -2.52000 0.00000 -0.92000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_2.PDB 22.89000 -42.68000 -13.14000 -70.34000 -2.45000 90.54000 -90.14000 18.19000 35.50000 97.69000 0.00000 0.00000 0.00000 5.03000 21.73000 0.00000 -3.13000 0.00000 -2.18000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_3.PDB 24.02000 -42.33000 -14.30000 -71.30000 -3.26000 92.02000 -91.31000 19.02000 37.47000 98.76000 0.00000 0.00000 0.00000 5.39000 21.66000 0.00000 -3.39000 0.00000 -2.74000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_4.PDB 25.46000 -40.60000 -10.88000 -70.45000 -1.32000 87.57000 -91.61000 18.79000 34.08000 98.46000 0.00000 0.00000 0.00000 5.11000 21.66000 0.00000 -2.54000 0.00000 -1.15000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_5.PDB 23.73000 -42.37000 -14.49000 -70.76000 -2.63000 90.96000 -90.73000 18.70000 36.48000 98.58000 0.00000 0.00000 0.00000 5.20000 21.75000 0.00000 -2.76000 0.00000 -2.44000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_6.PDB 23.37000 -42.57000 -14.52000 -70.67000 -3.21000 91.36000 -90.62000 19.02000 37.07000 98.78000 0.00000 0.00000 0.00000 4.99000 21.58000 0.00000 -3.57000 0.00000 -2.70000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_7.PDB 22.85000 -42.81000 -13.01000 -70.99000 -1.73000 89.08000 -91.65000 17.87000 36.47000 98.77000 0.00000 0.00000 0.00000 5.10000 21.92000 0.00000 -3.08000 0.00000 -1.17000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_8.PDB 24.28000 -41.40000 -14.24000 -72.05000 -2.66000 91.04000 -92.93000 18.69000 37.51000 99.36000 0.00000 0.00000 0.00000 5.55000 21.61000 0.00000 -2.28000 0.00000 -2.31000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_9.PDB 26.31000 -40.18000 -11.12000 -70.14000 -1.63000 87.81000 -90.98000 18.31000 34.51000 98.54000 0.00000 0.00000 0.00000 5.28000 21.70000 0.00000 -2.50000 0.00000 -1.59000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_10.PDB 23.18000 -44.04000 -14.69000 -72.40000 -3.04000 94.05000 -92.14000 18.67000 37.63000 98.67000 0.00000 0.00000 0.00000 5.65000 21.83000 0.00000 -3.13000 0.00000 -2.07000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_11.PDB 25.94000 -41.74000 -13.79000 -70.86000 -3.07000 91.65000 -90.93000 19.16000 37.39000 98.67000 0.00000 0.00000 0.00000 5.11000 21.76000 0.00000 -2.96000 0.00000 -2.69000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_12.PDB 24.14000 -42.48000 -14.55000 -71.48000 -2.50000 91.49000 -91.90000 18.23000 38.30000 99.00000 0.00000 0.00000 0.00000 6.01000 21.67000 0.00000 -3.36000 0.00000 -2.61000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_13.PDB 22.55000 -42.45000 -14.50000 -71.13000 -2.24000 90.36000 -91.57000 17.79000 36.99000 98.31000 0.00000 0.00000 0.00000 5.12000 21.65000 0.00000 -2.25000 0.00000 -1.87000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_14.PDB 21.81000 -43.84000 -13.25000 -71.00000 -2.08000 90.64000 -91.07000 18.08000 36.41000 98.20000 0.00000 0.00000 0.00000 4.86000 21.63000 0.00000 -3.23000 0.00000 -1.92000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_15.PDB 23.27000 -40.72000 -11.88000 -70.38000 -1.54000 87.04000 -91.83000 17.47000 35.39000 98.53000 0.00000 0.00000 0.00000 5.13000 21.67000 0.00000 -2.51000 0.00000 -1.42000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_16.PDB 22.09000 -42.37000 -14.47000 -71.41000 -2.14000 90.53000 -92.00000 17.28000 37.01000 98.87000 0.00000 0.00000 0.00000 5.26000 21.69000 0.00000 -2.50000 0.00000 -1.97000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_17.PDB 21.95000 -44.39000 -16.06000 -70.98000 -2.75000 91.22000 -91.24000 18.35000 38.91000 99.67000 0.00000 0.00000 0.00000 4.99000 21.63000 0.00000 -3.29000 0.00000 -2.48000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_18.PDB 23.66000 -39.27000 -9.45000 -69.85000 -1.10000 85.93000 -91.25000 17.28000 33.06000 96.84000 0.00000 0.00000 0.00000 4.90000 21.47000 0.00000 -2.33000 0.00000 -1.10000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_19.PDB 21.87000 -42.63000 -15.29000 -71.09000 -2.59000 90.31000 -91.79000 18.00000 38.10000 99.01000 0.00000 0.00000 0.00000 5.17000 21.68000 0.00000 -2.69000 0.00000 -2.64000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_20.PDB 22.74000 -42.29000 -14.22000 -71.69000 -2.20000 91.30000 -92.06000 18.30000 36.59000 97.94000 0.00000 0.00000 0.00000 5.34000 21.81000 0.00000 -2.44000 0.00000 -1.83000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_21.PDB 23.36000 -41.58000 -12.82000 -70.85000 -2.02000 89.05000 -91.42000 18.64000 35.38000 98.66000 0.00000 0.00000 0.00000 5.37000 21.77000 0.00000 -3.31000 0.00000 -1.74000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_22.PDB 22.41000 -43.51000 -13.35000 -71.80000 -1.84000 91.33000 -91.94000 18.90000 36.52000 98.15000 0.00000 0.00000 0.00000 5.14000 21.80000 0.00000 -3.23000 0.00000 -1.97000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_23.PDB 21.26000 -41.01000 -11.94000 -70.82000 -2.48000 89.08000 -91.58000 17.88000 35.34000 96.48000 0.00000 0.00000 0.00000 4.35000 21.65000 0.00000 -2.14000 0.00000 -1.89000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_24.PDB 22.52000 -44.36000 -14.75000 -71.39000 -2.08000 91.73000 -91.33000 18.39000 37.08000 98.47000 0.00000 0.00000 0.00000 5.46000 21.73000 0.00000 -2.90000 0.00000 -1.82000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_25.PDB 23.19000 -41.46000 -11.08000 -72.02000 -2.81000 90.82000 -92.28000 18.44000 34.71000 97.87000 0.00000 0.00000 0.00000 5.81000 21.84000 0.00000 -2.70000 0.00000 -2.12000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_26.PDB 23.55000 -42.44000 -14.78000 -72.18000 -2.94000 92.49000 -92.56000 18.40000 37.98000 98.97000 0.00000 0.00000 0.00000 5.77000 21.80000 0.00000 -2.65000 0.00000 -2.51000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_27.PDB 23.91000 -41.97000 -13.12000 -70.46000 -2.13000 89.97000 -90.58000 18.08000 35.82000 98.86000 0.00000 0.00000 0.00000 5.02000 21.59000 0.00000 -3.04000 0.00000 -2.52000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_28.PDB 22.82000 -41.67000 -13.20000 -70.53000 -1.76000 88.56000 -91.13000 17.98000 35.94000 98.73000 0.00000 0.00000 0.00000 5.08000 21.62000 0.00000 -3.27000 0.00000 -1.90000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_29.PDB 23.24000 -43.17000 -14.57000 -72.13000 -2.20000 92.10000 -92.28000 18.40000 37.07000 98.93000 0.00000 0.00000 0.00000 5.48000 21.86000 0.00000 -2.25000 0.00000 -2.14000 0.00000 0.00000 68.00000 BEM1-D2_1SEM-2_30.PDB 23.74000 -41.95000 -14.16000 -71.81000 -2.17000 90.89000 -92.39000 18.80000 37.33000 97.93000 0.00000 0.00000 0.00000 5.12000 21.79000 0.00000 -2.18000 0.00000 -1.67000 0.00000 0.00000 68.00000