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-21_1.PDB 3.88040 -9.02000 -1.98000 -3.72000 -6.73000 -0.72000 5.59000 -9.45000 1.30000 6.27000 2.00000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.67000 0.00000 -0.97000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_2.PDB 4.30106 -10.45000 -1.85000 -3.60000 -6.69000 -0.86000 6.22000 -9.36000 0.90000 6.24000 0.74000 0.00000 0.00000 0.00000 0.06000 0.51000 0.00000 -1.15000 0.00000 -1.09000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_3.PDB 2.23261 -9.94000 -1.26000 -3.02000 -6.31000 -0.69000 4.93000 -8.95000 0.62000 5.29000 1.05000 0.00000 0.00000 0.00000 0.07000 0.40000 0.00000 -0.83000 0.00000 -0.82000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_4.PDB 2.54581 -10.18000 -1.27000 -3.04000 -6.32000 -0.95000 5.07000 -8.81000 0.34000 5.51000 1.08000 0.00000 0.00000 0.00000 0.05000 0.32000 0.00000 -0.78000 0.00000 -1.06000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_5.PDB 4.04195 -10.80000 -1.97000 -3.81000 -6.95000 -0.98000 5.86000 -9.87000 1.62000 6.51000 1.21000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -1.33000 0.00000 -1.14000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_6.PDB 4.09493 -9.76000 -1.97000 -3.78000 -6.91000 -0.78000 5.82000 -9.77000 1.95000 6.41000 1.48000 0.00000 0.00000 0.00000 0.06000 0.54000 0.00000 -1.24000 0.00000 -1.01000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_7.PDB 3.86659 -8.68000 -4.08000 -5.86000 -7.72000 -2.38000 8.41000 -9.58000 3.61000 8.41000 3.16000 0.00000 0.00000 0.00000 0.16000 0.67000 0.00000 -1.10000 0.00000 -1.72000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_8.PDB 4.31393 -11.03000 -1.53000 -5.02000 -6.79000 -1.45000 6.84000 -9.18000 0.57000 6.23000 1.54000 0.00000 0.00000 0.00000 0.26000 0.46000 0.00000 -1.15000 0.00000 -1.34000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_9.PDB 4.77066 -10.20000 -2.00000 -4.47000 -6.74000 -1.82000 7.32000 -8.82000 0.70000 7.24000 1.56000 0.00000 0.00000 0.00000 0.07000 0.69000 0.00000 -1.38000 0.00000 -1.86000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_10.PDB 5.59406 -10.32000 -2.57000 -4.72000 -6.61000 -1.11000 6.02000 -9.07000 0.98000 7.50000 1.83000 0.00000 0.00000 0.00000 0.11000 0.47000 0.00000 -1.36000 0.00000 -1.32000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_11.PDB 2.30047 -10.11000 -2.00000 -3.77000 -6.16000 -1.15000 5.29000 -8.38000 0.57000 6.87000 0.99000 0.00000 0.00000 0.00000 0.12000 0.43000 0.00000 -1.25000 0.00000 -1.23000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_12.PDB 4.14881 -10.77000 -1.39000 -4.85000 -6.46000 -1.33000 6.26000 -8.83000 0.69000 5.95000 1.26000 0.00000 0.00000 0.00000 0.26000 0.38000 0.00000 -1.00000 0.00000 -1.34000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_13.PDB 2.60661 -11.24000 -1.34000 -4.63000 -6.33000 -1.45000 6.06000 -8.52000 0.38000 5.72000 1.11000 0.00000 0.00000 0.00000 0.25000 0.35000 0.00000 -1.33000 0.00000 -1.16000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_14.PDB 4.19893 -8.92000 -2.30000 -3.89000 -6.72000 -1.95000 7.76000 -8.41000 0.80000 6.76000 1.48000 0.00000 0.00000 0.00000 0.06000 0.71000 0.00000 -0.76000 0.00000 -1.75000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_15.PDB 2.27457 -10.15000 -1.79000 -4.27000 -6.29000 -0.96000 6.09000 -8.48000 0.38000 6.23000 1.17000 0.00000 0.00000 0.00000 0.06000 0.54000 0.00000 -1.17000 0.00000 -1.10000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_16.PDB 2.53001 -10.10000 -2.42000 -4.07000 -6.49000 -1.50000 6.10000 -8.73000 0.53000 7.94000 1.02000 0.00000 0.00000 0.00000 0.09000 0.36000 0.00000 -1.07000 0.00000 -1.49000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_17.PDB 3.81440 -8.98000 -1.36000 -2.93000 -6.11000 -0.92000 5.15000 -8.23000 0.72000 4.91000 1.48000 0.00000 0.00000 0.00000 0.09000 0.50000 0.00000 -0.93000 0.00000 -0.86000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_18.PDB 2.88101 -10.54000 -1.38000 -4.72000 -6.37000 -1.56000 5.86000 -8.63000 0.87000 6.02000 1.54000 0.00000 0.00000 0.00000 0.25000 0.37000 0.00000 -1.02000 0.00000 -1.39000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_19.PDB 2.23394 -9.18000 -0.98000 -2.79000 -5.91000 -1.15000 5.29000 -7.91000 0.32000 4.89000 1.13000 0.00000 0.00000 0.00000 0.14000 0.34000 0.00000 -0.99000 0.00000 -1.23000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_20.PDB 3.89730 -11.46000 -2.35000 -4.90000 -7.14000 -1.41000 7.16000 -9.76000 0.88000 7.56000 1.18000 0.00000 0.00000 0.00000 0.07000 0.66000 0.00000 -1.27000 0.00000 -1.47000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_21.PDB 3.74416 -9.48000 -1.25000 -2.90000 -6.44000 -0.70000 5.21000 -9.08000 0.91000 4.68000 1.62000 0.00000 0.00000 0.00000 0.08000 0.56000 0.00000 -0.75000 0.00000 -0.86000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_22.PDB 2.06067 -9.24000 -1.17000 -2.82000 -5.83000 -0.52000 4.53000 -8.13000 0.45000 4.34000 1.23000 0.00000 0.00000 0.00000 0.08000 0.49000 0.00000 -0.78000 0.00000 -0.62000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_23.PDB 4.87862 -9.53000 -2.20000 -3.68000 -6.19000 -1.32000 5.64000 -8.34000 0.50000 6.76000 1.87000 0.00000 0.00000 0.00000 0.10000 0.50000 0.00000 -1.17000 0.00000 -1.50000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_24.PDB 4.48615 -10.52000 -2.94000 -5.43000 -7.64000 -1.33000 7.31000 -10.67000 0.95000 9.00000 2.47000 0.00000 0.00000 0.00000 0.06000 0.88000 0.00000 -0.87000 0.00000 -1.43000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_25.PDB 2.08350 -10.11000 -2.24000 -3.75000 -6.66000 -0.64000 5.67000 -9.46000 0.45000 7.07000 1.19000 0.00000 0.00000 0.00000 0.07000 0.68000 0.00000 -0.95000 0.00000 -0.86000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_26.PDB 4.50859 -11.71000 -1.40000 -4.77000 -6.38000 -1.42000 5.83000 -8.74000 0.38000 5.90000 1.26000 0.00000 0.00000 0.00000 0.27000 0.35000 0.00000 -1.28000 0.00000 -1.36000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_27.PDB 4.01022 -9.21000 -1.25000 -3.92000 -6.23000 -1.51000 5.83000 -8.23000 1.40000 5.74000 1.44000 0.00000 0.00000 0.00000 0.06000 0.58000 0.00000 -0.97000 0.00000 -1.56000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_28.PDB 3.71310 -8.91000 -1.41000 -3.07000 -6.61000 -0.80000 5.29000 -9.42000 1.75000 5.29000 1.50000 0.00000 0.00000 0.00000 0.07000 0.74000 0.00000 -0.69000 0.00000 -0.83000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_29.PDB 2.57658 -9.57000 -2.59000 -4.16000 -5.88000 -0.71000 5.11000 -8.04000 1.01000 5.76000 1.20000 0.00000 0.00000 0.00000 0.08000 0.69000 0.00000 -0.49000 0.00000 -0.84000 0.00000 2.38000 68.00000 BEM1-D2_1SEM-21_30.PDB 5.21437 -10.47000 -2.18000 -4.29000 -6.12000 -1.46000 5.17000 -8.52000 0.93000 7.04000 1.63000 0.00000 0.00000 0.00000 0.08000 0.45000 0.00000 -1.10000 0.00000 -1.66000 0.00000 2.38000 68.00000