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-27_1.PDB 4.24865 -8.43000 -0.94000 -1.76000 -9.45000 -2.05000 9.39000 -12.75000 0.96000 5.91000 4.22000 0.00000 0.00000 0.00000 0.38000 1.20000 0.00000 -0.68000 0.00000 -1.66000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_2.PDB 5.08869 -8.83000 -0.96000 -1.76000 -9.40000 -2.49000 9.56000 -12.49000 0.51000 6.31000 4.39000 0.00000 0.00000 0.00000 0.23000 1.24000 0.00000 -0.56000 0.00000 -2.17000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_3.PDB 5.51352 -7.23000 -0.93000 -1.74000 -9.41000 -2.03000 9.23000 -12.86000 1.99000 6.00000 4.32000 0.00000 0.00000 0.00000 0.51000 1.30000 0.00000 -0.67000 0.00000 -1.64000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_4.PDB 4.43174 -8.34000 -0.92000 -1.73000 -9.39000 -1.95000 9.47000 -12.69000 0.60000 5.90000 4.26000 0.00000 0.00000 0.00000 0.32000 1.20000 0.00000 -0.62000 0.00000 -1.59000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_5.PDB 4.73732 -7.60000 -0.95000 -1.73000 -9.17000 -1.94000 9.23000 -12.49000 1.43000 5.82000 4.15000 0.00000 0.00000 0.00000 0.38000 1.27000 0.00000 -0.76000 0.00000 -1.57000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_6.PDB 4.82018 -7.49000 -0.52000 -2.46000 -8.51000 -2.35000 9.11000 -11.09000 0.81000 6.39000 3.37000 0.00000 0.00000 0.00000 0.30000 1.18000 0.00000 -0.53000 0.00000 -2.00000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_7.PDB 4.88841 -6.97000 -0.99000 -1.75000 -9.29000 -2.50000 9.43000 -12.48000 2.07000 6.19000 4.23000 0.00000 0.00000 0.00000 0.54000 1.35000 0.00000 -0.39000 0.00000 -2.04000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_8.PDB 6.00773 -7.55000 -0.90000 -1.73000 -9.39000 -2.74000 9.66000 -12.57000 2.14000 6.22000 4.25000 0.00000 0.00000 0.00000 0.42000 1.26000 0.00000 -0.51000 0.00000 -2.40000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_9.PDB 4.28545 -8.26000 -0.95000 -1.69000 -8.93000 -2.27000 8.93000 -12.02000 1.09000 6.02000 3.75000 0.00000 0.00000 0.00000 0.22000 1.18000 0.00000 -0.32000 0.00000 -2.09000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_10.PDB 4.11975 -8.02000 -0.96000 -1.73000 -9.14000 -1.76000 8.94000 -12.45000 1.11000 5.95000 3.51000 0.00000 0.00000 0.00000 0.20000 1.17000 0.00000 -0.17000 0.00000 -1.52000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_11.PDB 4.03316 -6.86000 -0.54000 -2.05000 -9.14000 -1.93000 9.14000 -12.26000 2.03000 5.94000 3.59000 0.00000 0.00000 0.00000 0.29000 1.21000 0.00000 -0.38000 0.00000 -1.56000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_12.PDB 4.49933 -7.90000 -0.94000 -1.70000 -9.50000 -2.07000 9.46000 -12.90000 1.08000 5.93000 4.15000 0.00000 0.00000 0.00000 0.43000 1.15000 0.00000 -0.23000 0.00000 -1.63000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_13.PDB 5.60382 -7.73000 -0.93000 -1.75000 -9.22000 -2.04000 9.27000 -12.58000 1.29000 5.89000 4.17000 0.00000 0.00000 0.00000 0.39000 1.27000 0.00000 -0.58000 0.00000 -1.63000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_14.PDB 5.50690 -8.33000 -1.26000 -2.22000 -9.68000 -2.61000 10.18000 -12.71000 1.87000 6.55000 4.20000 0.00000 0.00000 0.00000 0.40000 1.21000 0.00000 -0.76000 0.00000 -2.30000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_15.PDB 5.00816 -6.79000 -0.95000 -1.76000 -8.83000 -1.84000 8.76000 -12.11000 1.83000 5.93000 3.58000 0.00000 0.00000 0.00000 0.35000 1.26000 0.00000 -0.19000 0.00000 -1.56000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_16.PDB 4.90293 -7.93000 -0.96000 -1.76000 -8.90000 -1.85000 8.75000 -12.21000 1.13000 5.93000 3.45000 0.00000 0.00000 0.00000 0.33000 1.26000 0.00000 -0.31000 0.00000 -1.54000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_17.PDB 4.11362 -8.44000 -0.95000 -1.73000 -9.00000 -1.99000 8.81000 -12.10000 0.85000 6.09000 3.43000 0.00000 0.00000 0.00000 0.18000 1.25000 0.00000 -0.16000 0.00000 -1.85000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_18.PDB 5.71781 -7.45000 -0.96000 -1.76000 -9.43000 -2.37000 9.49000 -12.54000 2.30000 6.60000 3.44000 0.00000 0.00000 0.00000 0.36000 1.30000 0.00000 -0.52000 0.00000 -2.06000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_19.PDB 4.78929 -7.37000 -0.84000 -1.63000 -8.81000 -2.28000 8.75000 -11.98000 1.78000 6.09000 3.47000 0.00000 0.00000 0.00000 0.41000 1.30000 0.00000 -0.36000 0.00000 -1.96000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_20.PDB 4.60526 -6.52000 -0.53000 -2.05000 -9.19000 -2.45000 9.46000 -12.33000 2.24000 6.19000 4.29000 0.00000 0.00000 0.00000 0.34000 1.28000 0.00000 -0.44000 0.00000 -2.06000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_21.PDB 4.99760 -7.38000 -1.53000 -2.24000 -9.35000 -2.02000 9.78000 -12.28000 1.20000 6.26000 4.35000 0.00000 0.00000 0.00000 0.52000 1.25000 0.00000 -0.51000 0.00000 -1.57000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_22.PDB 5.81304 -8.39000 -1.48000 -2.29000 -9.46000 -1.93000 9.91000 -12.49000 0.75000 6.41000 4.21000 0.00000 0.00000 0.00000 0.42000 1.28000 0.00000 -0.88000 0.00000 -1.54000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_23.PDB 5.04249 -8.06000 -1.48000 -2.54000 -9.51000 -2.82000 10.10000 -12.28000 1.08000 7.31000 4.49000 0.00000 0.00000 0.00000 0.53000 1.32000 0.00000 -0.61000 0.00000 -2.32000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_24.PDB 4.43467 -7.19000 -0.95000 -1.75000 -9.08000 -2.42000 9.61000 -11.93000 1.28000 5.96000 4.25000 0.00000 0.00000 0.00000 0.30000 1.24000 0.00000 -0.39000 0.00000 -2.07000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_25.PDB 4.87000 -8.39000 -0.96000 -1.81000 -10.12000 -1.83000 9.95000 -13.67000 0.85000 6.15000 4.61000 0.00000 0.00000 0.00000 0.37000 1.34000 0.00000 -0.50000 0.00000 -1.44000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_26.PDB 6.59392 -8.63000 -0.93000 -1.75000 -10.10000 -1.76000 9.53000 -13.89000 1.01000 6.37000 4.33000 0.00000 0.00000 0.00000 0.29000 1.30000 0.00000 -0.29000 0.00000 -1.45000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_27.PDB 4.81005 -8.75000 -0.97000 -1.79000 -10.20000 -1.94000 9.81000 -13.88000 1.16000 6.32000 4.44000 0.00000 0.00000 0.00000 0.33000 1.24000 0.00000 -0.48000 0.00000 -1.56000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_28.PDB 5.27961 -8.08000 -0.97000 -1.80000 -9.93000 -1.89000 9.61000 -13.59000 1.40000 6.22000 4.44000 0.00000 0.00000 0.00000 0.26000 1.33000 0.00000 -0.29000 0.00000 -1.54000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_29.PDB 4.90981 -8.67000 -0.95000 -1.75000 -9.19000 -1.94000 9.10000 -12.41000 0.40000 6.06000 3.68000 0.00000 0.00000 0.00000 0.39000 1.18000 0.00000 -0.50000 0.00000 -1.56000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-27_30.PDB 5.66982 -7.76000 -1.28000 -2.21000 -9.24000 -2.09000 9.24000 -12.46000 2.02000 6.29000 3.70000 0.00000 0.00000 0.00000 0.42000 1.42000 0.00000 -0.26000 0.00000 -1.88000 0.00000 2.38000 67.00000