name Intraclash total energy Backbone Hbond 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 7.51604 -9.50000 -2.25000 -2.24000 -9.70000 -0.51000 7.84000 -13.57000 1.72000 5.60000 4.29000 0.00000 0.00000 0.00000 0.46000 1.30000 0.00000 -0.69000 0.00000 -0.45000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_2.PDB 7.32605 -10.81000 -0.63000 -2.20000 -9.62000 -0.33000 6.48000 -14.30000 1.75000 4.76000 3.47000 0.00000 0.00000 0.00000 0.30000 1.29000 0.00000 -0.23000 0.00000 -0.25000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_3.PDB 7.36904 -10.13000 -0.61000 -1.75000 -9.64000 -0.23000 6.78000 -14.40000 2.14000 4.75000 3.14000 0.00000 0.00000 0.00000 0.28000 1.37000 0.00000 -0.37000 0.00000 -0.21000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_4.PDB 7.19657 -9.00000 -0.61000 -0.57000 -9.53000 0.04000 6.47000 -14.14000 1.91000 3.83000 3.61000 0.00000 0.00000 0.00000 0.29000 1.33000 0.00000 -0.42000 0.00000 0.12000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_5.PDB 7.25446 -10.53000 -0.61000 -2.06000 -9.54000 -0.37000 6.79000 -13.79000 1.76000 4.66000 3.00000 0.00000 0.00000 0.00000 0.27000 1.37000 0.00000 -0.35000 0.00000 -0.29000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_6.PDB 6.74544 -10.26000 -0.61000 -2.21000 -9.73000 -0.18000 6.69000 -14.03000 1.62000 4.51000 3.80000 0.00000 0.00000 0.00000 0.31000 1.28000 0.00000 -0.37000 0.00000 -0.05000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_7.PDB 7.95500 -8.83000 -0.61000 -0.57000 -9.51000 -0.27000 6.88000 -13.81000 1.73000 4.23000 3.35000 0.00000 0.00000 0.00000 0.40000 1.18000 0.00000 -0.40000 0.00000 -0.25000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_8.PDB 7.12573 -11.13000 -0.63000 -2.26000 -9.99000 -0.02000 6.39000 -14.87000 1.78000 4.67000 3.63000 0.00000 0.00000 0.00000 0.35000 1.39000 0.00000 -0.25000 0.00000 0.08000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_9.PDB 7.11136 -9.32000 -0.61000 -1.46000 -9.20000 -0.81000 6.67000 -13.44000 2.08000 5.10000 3.11000 0.00000 0.00000 0.00000 0.34000 1.37000 0.00000 -0.26000 0.00000 -0.85000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_10.PDB 7.84398 -10.16000 -0.60000 -1.44000 -10.27000 -0.58000 7.63000 -15.01000 2.03000 5.30000 3.40000 0.00000 0.00000 0.00000 0.39000 1.35000 0.00000 -0.39000 0.00000 -0.60000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_11.PDB 6.46810 -9.94000 -0.05000 -2.32000 -9.49000 -0.74000 6.60000 -14.25000 1.93000 5.29000 3.68000 0.00000 0.00000 0.00000 0.29000 1.34000 0.00000 -0.19000 0.00000 -0.68000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_12.PDB 7.71132 -10.24000 -0.60000 -1.44000 -10.22000 -0.49000 7.37000 -15.22000 2.16000 5.16000 3.30000 0.00000 0.00000 0.00000 0.41000 1.38000 0.00000 -0.22000 0.00000 -0.45000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_13.PDB 7.37070 -10.58000 -0.62000 -3.20000 -9.24000 -1.15000 6.61000 -13.36000 1.89000 6.10000 3.42000 0.00000 0.00000 0.00000 0.30000 1.38000 0.00000 -0.25000 0.00000 -1.09000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_14.PDB 6.99831 -10.22000 -0.61000 -1.46000 -10.22000 -0.84000 6.79000 -14.87000 2.05000 5.99000 3.73000 0.00000 0.00000 0.00000 0.33000 1.30000 0.00000 -0.30000 0.00000 -0.81000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_15.PDB 8.45017 -9.62000 -0.61000 -1.44000 -10.04000 -0.72000 7.57000 -14.54000 1.83000 5.64000 3.31000 0.00000 0.00000 0.00000 0.38000 1.29000 0.00000 -0.25000 0.00000 -0.75000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_16.PDB 6.92456 -10.33000 -0.61000 -1.43000 -10.58000 -0.49000 7.09000 -15.49000 1.88000 5.76000 4.11000 0.00000 0.00000 0.00000 0.27000 1.32000 0.00000 -0.37000 0.00000 -0.48000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_17.PDB 6.99456 -9.50000 -0.63000 -0.61000 -9.18000 -0.34000 6.34000 -13.56000 1.74000 3.82000 3.19000 0.00000 0.00000 0.00000 0.28000 1.48000 0.00000 -0.21000 0.00000 -0.33000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_18.PDB 6.85569 -9.54000 -0.61000 -0.61000 -9.55000 0.00000 6.38000 -14.24000 1.98000 3.87000 3.07000 0.00000 0.00000 0.00000 0.34000 1.40000 0.00000 -0.19000 0.00000 0.01000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_19.PDB 7.12481 -10.68000 -0.63000 -2.13000 -9.00000 -0.71000 6.29000 -13.33000 1.61000 4.45000 3.31000 0.00000 0.00000 0.00000 0.31000 1.36000 0.00000 -0.19000 0.00000 -0.65000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_20.PDB 8.32098 -9.16000 -0.61000 -0.57000 -9.30000 -0.33000 6.78000 -13.64000 2.09000 3.79000 3.07000 0.00000 0.00000 0.00000 0.34000 1.42000 0.00000 -0.48000 0.00000 -0.30000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_21.PDB 6.72196 -9.27000 -0.60000 -0.56000 -9.08000 -0.10000 5.93000 -13.73000 2.20000 3.88000 2.91000 0.00000 0.00000 0.00000 0.18000 1.44000 0.00000 -0.17000 0.00000 -0.13000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_22.PDB 7.05044 -9.50000 -0.60000 -0.56000 -9.82000 -0.06000 6.99000 -14.47000 1.74000 3.87000 3.26000 0.00000 0.00000 0.00000 0.35000 1.38000 0.00000 -0.21000 0.00000 0.02000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_23.PDB 5.01590 -9.82000 -0.60000 -1.32000 -8.96000 -0.65000 6.52000 -13.17000 1.62000 4.49000 2.89000 0.00000 0.00000 0.00000 0.25000 1.28000 0.00000 -0.29000 0.00000 -0.61000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_24.PDB 7.18455 -9.35000 -0.61000 -0.57000 -9.87000 -0.18000 6.87000 -14.41000 1.81000 4.05000 3.72000 0.00000 0.00000 0.00000 0.42000 1.32000 0.00000 -0.39000 0.00000 -0.19000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_25.PDB 6.73285 -8.79000 -0.61000 -0.57000 -9.34000 -0.38000 7.04000 -13.58000 1.43000 3.92000 3.76000 0.00000 0.00000 0.00000 0.37000 1.30000 0.00000 -0.43000 0.00000 -0.40000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_26.PDB 5.22384 -9.25000 -0.61000 -0.57000 -9.69000 -0.17000 6.88000 -14.13000 1.88000 3.99000 3.22000 0.00000 0.00000 0.00000 0.40000 1.28000 0.00000 -0.33000 0.00000 -0.12000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_27.PDB 7.26411 -8.42000 -0.62000 -0.58000 -9.41000 -0.11000 6.71000 -13.89000 2.25000 3.85000 3.45000 0.00000 0.00000 0.00000 0.39000 1.27000 0.00000 -0.37000 0.00000 -0.09000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_28.PDB 7.23407 -10.33000 -0.61000 -0.55000 -9.62000 0.01000 5.98000 -14.60000 1.51000 3.98000 3.38000 0.00000 0.00000 0.00000 0.46000 1.35000 0.00000 -0.34000 0.00000 0.07000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_29.PDB 7.00025 -9.63000 -0.61000 -0.57000 -10.08000 -0.11000 6.59000 -14.76000 1.99000 4.20000 3.73000 0.00000 0.00000 0.00000 0.39000 1.33000 0.00000 -0.32000 0.00000 -0.10000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-18_30.PDB 7.46702 -9.68000 -1.40000 -1.36000 -9.50000 -0.43000 6.71000 -13.70000 1.78000 4.98000 3.73000 0.00000 0.00000 0.00000 0.27000 1.38000 0.00000 -0.34000 0.00000 -0.40000 0.00000 2.38000 68.00000