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-28_1.PDB 4.42684 -13.06000 -2.74000 -4.43000 -10.85000 -3.14000 12.09000 -13.61000 0.34000 8.24000 4.06000 0.00000 0.00000 0.00000 0.14000 1.50000 0.00000 -0.68000 0.00000 -2.49000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_2.PDB 3.82819 -12.81000 -2.38000 -2.49000 -11.41000 -4.29000 13.29000 -13.94000 0.44000 8.17000 3.85000 0.00000 0.00000 0.00000 0.15000 1.69000 0.00000 -1.45000 0.00000 -2.76000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_3.PDB 3.66815 -12.67000 -2.19000 -2.23000 -10.20000 -2.82000 10.06000 -13.25000 0.26000 6.25000 4.36000 0.00000 0.00000 0.00000 0.10000 1.39000 0.00000 -0.82000 0.00000 -2.19000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_4.PDB 3.44501 -12.16000 -2.31000 -2.37000 -10.99000 -4.03000 12.76000 -13.54000 0.40000 7.71000 3.88000 0.00000 0.00000 0.00000 0.17000 1.49000 0.00000 -1.18000 0.00000 -2.66000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_5.PDB 4.06714 -10.06000 -3.02000 -3.14000 -11.34000 -2.95000 12.95000 -14.10000 1.41000 7.54000 5.06000 0.00000 0.00000 0.00000 0.16000 1.46000 0.00000 -0.50000 0.00000 -2.13000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_6.PDB 3.72361 -11.38000 -1.43000 -2.41000 -9.58000 -1.28000 9.35000 -12.87000 0.25000 5.86000 2.58000 0.00000 0.00000 0.00000 0.11000 1.24000 0.00000 -0.71000 0.00000 -1.23000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_7.PDB 4.54420 -12.30000 -3.10000 -3.85000 -11.68000 -3.74000 13.39000 -14.43000 1.39000 7.88000 4.99000 0.00000 0.00000 0.00000 0.22000 1.40000 0.00000 -0.65000 0.00000 -2.70000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_8.PDB 3.45958 -13.30000 -2.27000 -4.00000 -10.68000 -2.29000 10.57000 -13.86000 0.19000 6.55000 4.51000 0.00000 0.00000 0.00000 0.08000 1.53000 0.00000 -0.51000 0.00000 -1.59000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_9.PDB 2.79463 -11.68000 -1.51000 -3.21000 -9.28000 -1.62000 9.62000 -12.53000 0.34000 6.20000 2.62000 0.00000 0.00000 0.00000 0.04000 1.29000 0.00000 -0.97000 0.00000 -1.38000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_10.PDB 4.13031 -11.07000 -1.51000 -1.51000 -9.22000 -2.45000 9.65000 -12.25000 0.58000 6.08000 2.66000 0.00000 0.00000 0.00000 0.06000 1.33000 0.00000 -1.05000 0.00000 -2.09000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_11.PDB 4.10173 -14.30000 -2.22000 -5.04000 -11.18000 -4.30000 12.76000 -13.96000 0.19000 8.29000 4.47000 0.00000 0.00000 0.00000 0.19000 1.60000 0.00000 -0.64000 0.00000 -2.85000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_12.PDB 4.67798 -18.01000 -1.84000 -6.67000 -12.13000 -6.31000 14.07000 -14.18000 0.73000 8.69000 3.96000 0.00000 0.00000 0.00000 0.20000 1.83000 0.00000 -0.84000 0.00000 -3.70000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_13.PDB 3.50924 -11.24000 -1.52000 -2.41000 -9.15000 -1.56000 8.97000 -12.64000 0.28000 6.16000 2.93000 0.00000 0.00000 0.00000 0.10000 1.34000 0.00000 -0.93000 0.00000 -1.46000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_14.PDB 3.50445 -12.65000 -2.28000 -2.27000 -10.21000 -2.86000 10.08000 -13.28000 0.25000 6.04000 4.71000 0.00000 0.00000 0.00000 0.09000 1.47000 0.00000 -0.85000 0.00000 -2.08000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_15.PDB 3.44469 -13.15000 -2.23000 -2.71000 -10.28000 -2.83000 10.24000 -13.47000 0.23000 6.14000 4.72000 0.00000 0.00000 0.00000 0.08000 1.52000 0.00000 -0.98000 0.00000 -2.07000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_16.PDB 3.26647 -11.10000 -2.27000 -1.77000 -9.93000 -1.89000 9.68000 -12.89000 0.23000 5.48000 4.58000 0.00000 0.00000 0.00000 0.11000 1.52000 0.00000 -1.02000 0.00000 -1.43000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_17.PDB 3.98847 -8.96000 -1.52000 -0.97000 -9.80000 -1.45000 10.38000 -12.80000 1.06000 5.78000 2.44000 0.00000 0.00000 0.00000 0.08000 1.43000 0.00000 -0.71000 0.00000 -1.46000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_18.PDB 3.11938 -10.38000 -1.54000 -1.56000 -9.61000 -1.55000 10.08000 -12.79000 1.12000 5.54000 2.33000 0.00000 0.00000 0.00000 0.09000 1.34000 0.00000 -0.88000 0.00000 -1.60000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_19.PDB 3.44643 -12.65000 -2.71000 -3.74000 -12.06000 -4.29000 14.52000 -14.76000 1.30000 8.00000 4.79000 0.00000 0.00000 0.00000 0.17000 1.65000 0.00000 -1.01000 0.00000 -2.87000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_20.PDB 4.55812 -12.39000 -3.14000 -3.35000 -12.11000 -4.07000 14.17000 -14.80000 1.25000 7.70000 5.12000 0.00000 0.00000 0.00000 0.27000 1.65000 0.00000 -0.86000 0.00000 -2.59000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_21.PDB 3.48185 -11.33000 -1.53000 -1.51000 -9.68000 -2.38000 10.35000 -12.76000 0.24000 6.18000 2.76000 0.00000 0.00000 0.00000 0.09000 1.29000 0.00000 -1.13000 0.00000 -1.95000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_22.PDB 3.10784 -10.94000 -1.51000 -1.46000 -9.47000 -2.20000 9.51000 -12.66000 0.22000 6.40000 3.02000 0.00000 0.00000 0.00000 0.04000 1.28000 0.00000 -0.97000 0.00000 -1.85000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_23.PDB 3.84727 -11.45000 -2.31000 -1.84000 -11.21000 -3.54000 12.89000 -13.65000 0.90000 7.02000 3.23000 0.00000 0.00000 0.00000 0.17000 1.62000 0.00000 -0.74000 0.00000 -2.37000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_24.PDB 3.41762 -12.41000 -2.24000 -3.95000 -10.22000 -2.03000 10.30000 -13.29000 0.15000 6.24000 4.44000 0.00000 0.00000 0.00000 0.10000 1.42000 0.00000 -0.59000 0.00000 -1.33000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_25.PDB 3.68330 -12.29000 -3.24000 -4.21000 -12.02000 -3.83000 14.32000 -14.76000 1.17000 7.90000 5.51000 0.00000 0.00000 0.00000 0.13000 1.75000 0.00000 -0.72000 0.00000 -2.53000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_26.PDB 4.40233 -11.86000 -3.02000 -4.68000 -10.42000 -2.31000 12.01000 -13.19000 0.25000 7.45000 4.09000 0.00000 0.00000 0.00000 0.15000 1.43000 0.00000 -0.47000 0.00000 -1.71000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_27.PDB 3.04070 -11.29000 -1.51000 -2.35000 -9.49000 -1.55000 9.27000 -12.80000 0.25000 6.43000 2.71000 0.00000 0.00000 0.00000 0.04000 1.27000 0.00000 -0.79000 0.00000 -1.51000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_28.PDB 2.85876 -11.03000 -1.50000 -2.28000 -9.86000 -2.36000 10.01000 -13.09000 0.28000 7.22000 3.09000 0.00000 0.00000 0.00000 0.04000 1.27000 0.00000 -0.63000 0.00000 -1.95000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_29.PDB 3.58712 -12.17000 -2.24000 -3.55000 -10.07000 -1.77000 9.63000 -13.07000 0.22000 5.99000 4.46000 0.00000 0.00000 0.00000 0.10000 1.35000 0.00000 -0.60000 0.00000 -1.29000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-28_30.PDB 3.69638 -11.85000 -2.28000 -2.70000 -10.95000 -3.93000 12.41000 -13.67000 0.76000 8.15000 3.81000 0.00000 0.00000 0.00000 0.13000 1.56000 0.00000 -0.99000 0.00000 -2.60000 0.00000 2.38000 68.00000