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-2_1.PDB 5.83077 -2.42000 -1.49000 -3.43000 -9.27000 -1.04000 10.34000 -12.22000 7.03000 4.43000 4.48000 0.00000 0.00000 0.00000 0.33000 0.81000 0.00000 -0.65000 0.00000 -0.92000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_2.PDB 5.82560 -5.12000 -1.75000 -3.84000 -10.15000 -2.84000 12.07000 -12.65000 7.17000 5.78000 3.96000 0.00000 0.00000 0.00000 0.35000 0.89000 0.00000 -1.04000 0.00000 -2.18000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_3.PDB 6.92978 -5.45000 -1.52000 -5.10000 -10.61000 -3.74000 13.53000 -12.91000 7.07000 7.32000 4.22000 0.00000 0.00000 0.00000 0.36000 0.77000 0.00000 -1.34000 0.00000 -2.74000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_4.PDB 6.94107 -1.94000 -1.47000 -3.42000 -9.01000 -1.20000 10.07000 -11.76000 7.30000 4.74000 4.37000 0.00000 0.00000 0.00000 0.29000 0.79000 0.00000 -0.71000 0.00000 -1.15000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_5.PDB 5.89757 -5.22000 -1.72000 -5.49000 -10.40000 -3.01000 12.39000 -12.95000 7.70000 6.85000 4.19000 0.00000 0.00000 0.00000 0.38000 0.85000 0.00000 -0.72000 0.00000 -2.44000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_6.PDB 6.34004 -5.45000 -1.74000 -5.36000 -10.54000 -3.65000 13.30000 -12.91000 7.42000 7.37000 4.27000 0.00000 0.00000 0.00000 0.30000 0.80000 0.00000 -1.19000 0.00000 -2.70000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_7.PDB 6.82230 -3.89000 -2.62000 -4.54000 -9.79000 -1.70000 11.69000 -12.13000 6.47000 5.93000 4.68000 0.00000 0.00000 0.00000 0.36000 0.83000 0.00000 -1.08000 0.00000 -1.17000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_8.PDB 6.66675 -4.76000 -0.87000 -5.35000 -10.22000 -2.89000 12.15000 -12.94000 7.09000 6.94000 3.78000 0.00000 0.00000 0.00000 0.45000 0.70000 0.00000 -0.58000 0.00000 -2.31000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_9.PDB 6.17674 -2.35000 -1.49000 -4.15000 -9.50000 -1.69000 10.93000 -12.35000 7.13000 5.88000 4.74000 0.00000 0.00000 0.00000 0.43000 0.81000 0.00000 -0.67000 0.00000 -1.59000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_10.PDB 6.17781 -5.49000 -3.31000 -5.57000 -11.25000 -3.60000 14.94000 -13.14000 7.45000 7.02000 4.93000 0.00000 0.00000 0.00000 0.48000 0.92000 0.00000 -1.39000 0.00000 -2.07000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_11.PDB 5.81480 -3.39000 -1.16000 -4.87000 -10.52000 -3.42000 13.29000 -13.02000 8.06000 7.32000 4.18000 0.00000 0.00000 0.00000 0.49000 0.89000 0.00000 -1.06000 0.00000 -2.69000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_12.PDB 6.81020 -5.38000 -1.74000 -5.43000 -10.21000 -3.01000 12.29000 -12.66000 6.93000 7.67000 4.26000 0.00000 0.00000 0.00000 0.49000 0.83000 0.00000 -1.38000 0.00000 -2.61000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_13.PDB 6.00610 -5.55000 -1.57000 -5.24000 -10.35000 -2.57000 11.79000 -13.16000 6.67000 6.90000 4.07000 0.00000 0.00000 0.00000 0.32000 0.77000 0.00000 -0.54000 0.00000 -1.87000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_14.PDB 5.78415 -6.03000 -3.39000 -4.44000 -10.75000 -2.43000 12.50000 -13.36000 6.91000 7.09000 4.74000 0.00000 0.00000 0.00000 0.32000 0.75000 0.00000 -1.30000 0.00000 -1.92000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_15.PDB 6.85880 -3.49000 -1.53000 -4.36000 -8.97000 -1.51000 9.96000 -11.88000 6.14000 6.07000 4.38000 0.00000 0.00000 0.00000 0.30000 0.76000 0.00000 -0.65000 0.00000 -1.42000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_16.PDB 6.00613 -5.79000 -1.57000 -5.29000 -10.19000 -2.33000 11.63000 -12.98000 6.32000 6.71000 4.27000 0.00000 0.00000 0.00000 0.32000 0.81000 0.00000 -0.71000 0.00000 -1.97000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_17.PDB 6.49395 -6.63000 -3.40000 -6.69000 -10.66000 -3.00000 13.10000 -13.10000 6.61000 8.90000 5.14000 0.00000 0.00000 0.00000 0.33000 0.80000 0.00000 -1.39000 0.00000 -2.48000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_18.PDB 5.76530 -2.09000 -0.94000 -2.80000 -8.14000 -1.09000 9.13000 -10.92000 6.22000 3.88000 3.99000 0.00000 0.00000 0.00000 0.25000 0.48000 0.00000 -0.58000 0.00000 -1.10000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_19.PDB 6.05496 -6.39000 -1.78000 -6.06000 -10.25000 -2.99000 11.59000 -13.14000 6.95000 8.11000 4.39000 0.00000 0.00000 0.00000 0.34000 0.80000 0.00000 -0.93000 0.00000 -2.64000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_20.PDB 6.18900 -4.91000 -1.48000 -5.07000 -10.51000 -2.39000 12.22000 -13.17000 7.15000 6.26000 4.23000 0.00000 0.00000 0.00000 0.39000 0.89000 0.00000 -0.71000 0.00000 -1.83000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_21.PDB 6.89355 -4.85000 -3.15000 -6.10000 -10.25000 -2.12000 12.99000 -12.70000 6.88000 7.08000 5.40000 0.00000 0.00000 0.00000 0.32000 0.89000 0.00000 -1.46000 0.00000 -1.74000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_22.PDB 6.13516 -5.02000 -3.35000 -4.82000 -11.00000 -2.27000 13.35000 -13.39000 7.70000 6.82000 4.89000 0.00000 0.00000 0.00000 0.33000 0.86000 0.00000 -1.30000 0.00000 -1.97000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_23.PDB 5.01715 -4.72000 -0.92000 -3.49000 -10.18000 -2.65000 11.38000 -13.33000 6.97000 5.73000 3.69000 0.00000 0.00000 0.00000 0.23000 0.79000 0.00000 -0.27000 0.00000 -1.89000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_24.PDB 6.36259 -5.02000 -3.37000 -5.38000 -10.71000 -2.31000 13.32000 -12.87000 7.05000 6.96000 4.94000 0.00000 0.00000 0.00000 0.33000 0.85000 0.00000 -1.17000 0.00000 -1.82000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_25.PDB 6.14906 -5.05000 -1.52000 -2.77000 -10.62000 -3.18000 12.56000 -13.08000 7.52000 4.70000 3.92000 0.00000 0.00000 0.00000 0.48000 0.92000 0.00000 -0.93000 0.00000 -2.12000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_26.PDB 6.42342 -5.31000 -1.48000 -5.48000 -10.99000 -3.18000 13.31000 -13.71000 7.28000 7.57000 4.29000 0.00000 0.00000 0.00000 0.46000 0.89000 0.00000 -0.85000 0.00000 -2.51000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_27.PDB 5.97932 -5.46000 -1.69000 -4.49000 -9.94000 -2.86000 11.94000 -12.46000 6.84000 6.17000 4.14000 0.00000 0.00000 0.00000 0.29000 0.77000 0.00000 -0.89000 0.00000 -2.52000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_28.PDB 6.44869 -4.32000 -3.35000 -6.53000 -9.89000 -2.03000 12.51000 -12.26000 6.84000 7.69000 5.57000 0.00000 0.00000 0.00000 0.27000 0.73000 0.00000 -1.23000 0.00000 -1.90000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_29.PDB 6.15586 -4.83000 -1.52000 -4.59000 -10.61000 -2.61000 12.34000 -13.25000 7.25000 6.01000 4.39000 0.00000 0.00000 0.00000 0.40000 0.97000 0.00000 -0.50000 0.00000 -2.14000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-2_30.PDB 6.22225 -5.56000 -1.25000 -5.09000 -10.83000 -2.25000 11.69000 -13.88000 7.27000 6.64000 4.09000 0.00000 0.00000 0.00000 0.36000 0.88000 0.00000 -0.64000 0.00000 -1.67000 0.00000 2.38000 68.00000