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-1_1.PDB 5.70435 -14.59000 -2.34000 -5.71000 -12.21000 -3.71000 12.35000 -15.73000 1.39000 9.65000 4.31000 0.00000 0.00000 0.00000 0.76000 1.28000 0.00000 -1.30000 0.00000 -2.05000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_2.PDB 6.23627 -16.43000 -2.36000 -5.59000 -13.32000 -6.08000 14.55000 -16.47000 0.88000 9.96000 5.38000 0.00000 0.00000 0.00000 0.98000 1.17000 0.00000 -1.86000 0.00000 -2.50000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_3.PDB 6.19346 -16.77000 -2.36000 -6.15000 -12.77000 -3.67000 12.65000 -16.43000 0.46000 9.86000 4.33000 0.00000 0.00000 0.00000 0.87000 1.27000 0.00000 -1.32000 0.00000 -2.24000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_4.PDB 6.35660 -15.69000 -2.35000 -5.99000 -12.18000 -3.64000 11.97000 -15.51000 0.34000 9.52000 4.78000 0.00000 0.00000 0.00000 0.72000 1.24000 0.00000 -1.20000 0.00000 -2.16000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_5.PDB 5.98195 -14.73000 -2.48000 -5.68000 -13.24000 -4.37000 13.30000 -17.15000 2.78000 9.97000 4.39000 0.00000 0.00000 0.00000 1.03000 1.23000 0.00000 -1.05000 0.00000 -2.22000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_6.PDB 6.35190 -16.78000 -2.33000 -7.32000 -12.80000 -4.66000 12.98000 -16.47000 0.84000 10.57000 4.63000 0.00000 0.00000 0.00000 0.97000 1.00000 0.00000 -0.85000 0.00000 -2.35000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_7.PDB 6.31427 -16.03000 -2.38000 -4.05000 -12.90000 -4.95000 13.11000 -16.69000 0.45000 9.89000 4.50000 0.00000 0.00000 0.00000 1.02000 1.19000 0.00000 -1.33000 0.00000 -2.69000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_8.PDB 7.38586 -14.92000 -2.34000 -4.04000 -12.68000 -5.16000 13.18000 -16.06000 0.78000 9.35000 4.73000 0.00000 0.00000 0.00000 1.08000 1.10000 0.00000 -1.06000 0.00000 -2.72000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_9.PDB 7.08568 -11.16000 -1.30000 -2.89000 -11.06000 -4.05000 11.32000 -14.57000 1.71000 6.77000 4.17000 0.00000 0.00000 0.00000 0.85000 1.09000 0.00000 -0.23000 0.00000 -1.88000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_10.PDB 6.86206 -12.48000 -1.73000 -3.26000 -11.16000 -3.95000 11.28000 -14.76000 0.44000 8.66000 4.00000 0.00000 0.00000 0.00000 0.94000 0.88000 0.00000 -0.89000 0.00000 -2.07000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_11.PDB 6.52984 -10.88000 -1.31000 -2.88000 -11.29000 -3.77000 11.22000 -14.96000 1.73000 7.79000 4.29000 0.00000 0.00000 0.00000 0.89000 1.07000 0.00000 -0.48000 0.00000 -2.10000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_12.PDB 5.81233 -11.34000 -1.74000 -2.50000 -11.15000 -3.23000 10.68000 -15.36000 1.30000 7.73000 4.05000 0.00000 0.00000 0.00000 1.00000 1.10000 0.00000 -0.48000 0.00000 -1.65000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_13.PDB 7.02867 -11.83000 -1.26000 -2.87000 -11.13000 -3.88000 11.45000 -14.67000 0.56000 7.54000 4.40000 0.00000 0.00000 0.00000 0.72000 1.10000 0.00000 -0.53000 0.00000 -2.15000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_14.PDB 6.43908 -14.30000 -1.73000 -2.47000 -10.80000 -3.16000 9.82000 -14.72000 0.32000 6.41000 4.20000 0.00000 0.00000 0.00000 0.89000 0.97000 0.00000 -1.27000 0.00000 -1.79000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_15.PDB 5.45919 -16.46000 -3.12000 -5.13000 -12.75000 -4.52000 13.97000 -15.86000 0.44000 8.56000 4.76000 0.00000 0.00000 0.00000 0.80000 1.19000 0.00000 -1.31000 0.00000 -2.30000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_16.PDB 7.30752 -16.01000 -2.34000 -5.84000 -11.96000 -4.87000 12.68000 -14.91000 0.72000 9.24000 4.09000 0.00000 0.00000 0.00000 0.81000 1.06000 0.00000 -1.13000 0.00000 -2.50000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_17.PDB 6.19005 -13.92000 -2.42000 -5.60000 -12.87000 -4.15000 13.10000 -16.48000 1.86000 9.95000 4.62000 0.00000 0.00000 0.00000 0.88000 1.34000 0.00000 -0.69000 0.00000 -2.11000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_18.PDB 6.34803 -12.29000 -1.72000 -2.50000 -11.22000 -3.69000 10.76000 -15.50000 1.40000 7.70000 4.11000 0.00000 0.00000 0.00000 1.01000 1.03000 0.00000 -0.50000 0.00000 -2.13000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_19.PDB 6.46052 -14.28000 -2.87000 -4.02000 -12.19000 -4.72000 13.53000 -15.31000 0.81000 9.17000 4.04000 0.00000 0.00000 0.00000 0.99000 1.11000 0.00000 -1.14000 0.00000 -2.56000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_20.PDB 8.29686 -14.03000 -2.35000 -6.00000 -12.41000 -3.78000 12.47000 -15.68000 1.06000 9.27000 4.73000 0.00000 0.00000 0.00000 1.36000 1.25000 0.00000 -0.72000 0.00000 -1.99000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_21.PDB 6.15746 -16.61000 -2.35000 -3.94000 -13.18000 -4.89000 13.14000 -17.15000 0.47000 9.26000 4.51000 0.00000 0.00000 0.00000 1.07000 1.23000 0.00000 -0.97000 0.00000 -2.57000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_22.PDB 5.90687 -14.65000 -2.44000 -5.64000 -12.51000 -3.94000 12.85000 -15.97000 1.62000 9.78000 4.49000 0.00000 0.00000 0.00000 0.77000 1.31000 0.00000 -1.26000 0.00000 -2.40000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_23.PDB 6.51341 -15.71000 -2.45000 -5.14000 -12.29000 -4.98000 12.69000 -15.66000 1.57000 8.36000 5.15000 0.00000 0.00000 0.00000 0.65000 1.06000 0.00000 -1.14000 0.00000 -2.48000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_24.PDB 6.59323 -15.17000 -2.31000 -5.98000 -11.76000 -3.66000 11.90000 -14.84000 0.52000 9.32000 4.62000 0.00000 0.00000 0.00000 0.72000 1.14000 0.00000 -1.51000 0.00000 -2.19000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_25.PDB 6.55474 -15.76000 -2.34000 -6.10000 -12.32000 -3.90000 12.49000 -15.99000 0.50000 9.88000 4.32000 0.00000 0.00000 0.00000 1.10000 1.07000 0.00000 -1.02000 0.00000 -2.37000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_26.PDB 5.88774 -14.03000 -2.36000 -3.85000 -12.79000 -4.90000 13.21000 -16.33000 1.69000 9.20000 4.95000 0.00000 0.00000 0.00000 0.91000 1.21000 0.00000 -1.38000 0.00000 -2.37000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_27.PDB 6.40721 -14.69000 -2.38000 -5.77000 -12.58000 -3.88000 12.63000 -16.22000 1.73000 9.62000 4.54000 0.00000 0.00000 0.00000 0.67000 1.12000 0.00000 -1.08000 0.00000 -1.98000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_28.PDB 6.16760 -14.77000 -2.39000 -5.70000 -12.41000 -3.37000 12.22000 -16.02000 0.38000 9.86000 4.60000 0.00000 0.00000 0.00000 0.85000 1.22000 0.00000 -0.92000 0.00000 -1.88000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_29.PDB 6.49352 -15.08000 -2.38000 -7.25000 -12.66000 -4.50000 13.12000 -16.00000 1.89000 10.64000 4.76000 0.00000 0.00000 0.00000 0.94000 1.09000 0.00000 -1.44000 0.00000 -2.20000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-1_30.PDB 6.59847 -14.89000 -3.02000 -6.11000 -12.23000 -3.48000 13.09000 -15.06000 0.53000 8.83000 4.56000 0.00000 0.00000 0.00000 0.80000 1.19000 0.00000 -0.90000 0.00000 -1.92000 0.00000 2.38000 68.00000