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-12_1.PDB 3.39823 -8.11000 -0.89000 -3.22000 -5.87000 -2.84000 7.04000 -7.00000 0.23000 4.64000 0.98000 0.00000 0.00000 0.00000 0.51000 0.56000 0.00000 -0.30000 0.00000 -1.38000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_2.PDB 2.48947 -6.94000 -1.18000 -4.12000 -3.83000 -0.52000 4.55000 -5.18000 0.04000 3.12000 1.08000 0.00000 0.00000 0.00000 0.03000 0.27000 0.00000 -0.53000 0.00000 -0.40000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_3.PDB 2.19011 -7.35000 -1.19000 -4.12000 -4.14000 -0.66000 4.80000 -5.60000 0.03000 3.62000 0.87000 0.00000 0.00000 0.00000 0.03000 0.24000 0.00000 -0.37000 0.00000 -0.63000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_4.PDB 2.72938 -6.24000 -1.14000 -4.11000 -3.65000 -0.37000 4.42000 -4.90000 0.06000 3.05000 1.09000 0.00000 0.00000 0.00000 0.04000 0.25000 0.00000 -0.32000 0.00000 -0.41000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_5.PDB 2.46913 -6.38000 -1.19000 -2.84000 -4.95000 -0.99000 5.31000 -6.40000 0.06000 4.24000 1.38000 0.00000 0.00000 0.00000 0.07000 0.35000 0.00000 -0.37000 0.00000 -0.70000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_6.PDB 2.27980 -8.16000 -1.21000 -5.84000 -5.27000 -2.44000 7.59000 -6.16000 0.39000 5.83000 0.59000 0.00000 0.00000 0.00000 0.08000 0.41000 0.00000 -0.45000 0.00000 -1.25000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_7.PDB 2.89525 -6.56000 -2.91000 -3.01000 -5.74000 -2.11000 7.54000 -6.81000 0.23000 4.84000 2.66000 0.00000 0.00000 0.00000 0.07000 0.40000 0.00000 -0.30000 0.00000 -1.03000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_8.PDB 3.72034 -6.48000 -2.86000 -3.06000 -5.32000 -1.93000 6.89000 -6.38000 0.59000 4.76000 2.11000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -0.16000 0.00000 -1.21000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_9.PDB 2.26064 -8.29000 -1.24000 -4.23000 -4.91000 -0.73000 5.53000 -6.51000 0.06000 3.90000 1.05000 0.00000 0.00000 0.00000 0.04000 0.30000 0.00000 -0.65000 0.00000 -0.60000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_10.PDB 3.09811 -5.30000 -1.20000 -1.21000 -4.51000 -0.60000 4.60000 -5.99000 0.04000 3.26000 1.19000 0.00000 0.00000 0.00000 0.10000 0.37000 0.00000 -0.44000 0.00000 -0.53000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_11.PDB 4.80980 -4.65000 -2.86000 -2.96000 -5.45000 -1.28000 7.34000 -6.39000 0.58000 4.52000 2.75000 0.00000 0.00000 0.00000 0.27000 0.44000 0.00000 -0.40000 0.00000 -0.79000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_12.PDB 3.09552 -4.71000 -2.08000 -2.19000 -5.40000 -1.87000 7.30000 -6.24000 0.11000 4.44000 2.55000 0.00000 0.00000 0.00000 0.07000 0.50000 0.00000 -0.32000 0.00000 -1.07000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_13.PDB 2.36117 -9.55000 -1.24000 -5.11000 -5.41000 -2.67000 6.92000 -6.53000 0.54000 5.13000 0.60000 0.00000 0.00000 0.00000 0.04000 0.37000 0.00000 -0.41000 0.00000 -1.40000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_14.PDB 2.30564 -7.11000 -1.21000 -4.20000 -4.38000 -0.81000 5.25000 -5.84000 0.11000 3.58000 1.37000 0.00000 0.00000 0.00000 0.06000 0.32000 0.00000 -0.43000 0.00000 -0.61000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_15.PDB 2.61486 -7.01000 -1.05000 -2.74000 -5.08000 -0.41000 4.66000 -6.98000 0.18000 3.61000 1.42000 0.00000 0.00000 0.00000 0.28000 0.44000 0.00000 -0.52000 0.00000 -0.38000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_16.PDB 2.91322 -5.99000 -2.73000 -4.42000 -5.09000 -1.38000 6.84000 -6.10000 0.24000 5.49000 2.60000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -0.59000 0.00000 -0.92000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_17.PDB 3.89691 -6.07000 -2.78000 -4.53000 -5.39000 -1.25000 7.51000 -6.51000 0.18000 5.37000 2.61000 0.00000 0.00000 0.00000 0.22000 0.42000 0.00000 -0.55000 0.00000 -0.95000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_18.PDB 2.60644 -4.72000 -1.18000 -1.17000 -4.12000 -0.55000 4.29000 -5.57000 0.14000 2.87000 1.10000 0.00000 0.00000 0.00000 0.08000 0.32000 0.00000 -0.07000 0.00000 -0.55000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_19.PDB 3.03959 -5.79000 -2.82000 -2.88000 -5.07000 -1.79000 6.76000 -5.96000 0.21000 4.48000 2.54000 0.00000 0.00000 0.00000 0.09000 0.51000 0.00000 -0.28000 0.00000 -1.07000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_20.PDB 5.54660 -5.82000 -2.90000 -3.14000 -5.33000 -1.61000 6.87000 -6.30000 1.07000 4.34000 2.35000 0.00000 0.00000 0.00000 0.12000 0.48000 0.00000 -0.27000 0.00000 -1.03000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_21.PDB 3.45150 -8.58000 -2.90000 -5.93000 -5.36000 -1.69000 7.35000 -6.40000 0.14000 5.20000 2.45000 0.00000 0.00000 0.00000 0.08000 0.38000 0.00000 -0.41000 0.00000 -1.11000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_22.PDB 4.30990 -5.00000 -2.63000 -2.72000 -5.23000 -1.21000 6.61000 -6.32000 0.18000 4.34000 2.69000 0.00000 0.00000 0.00000 0.38000 0.47000 0.00000 -0.23000 0.00000 -0.88000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_23.PDB 4.07366 -6.17000 -2.88000 -3.00000 -4.92000 -2.47000 7.16000 -5.62000 0.21000 4.31000 2.69000 0.00000 0.00000 0.00000 0.41000 0.31000 0.00000 -0.39000 0.00000 -1.65000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_24.PDB 3.03902 -5.64000 -1.15000 -1.78000 -5.08000 -1.68000 5.63000 -6.28000 0.56000 4.42000 1.02000 0.00000 0.00000 0.00000 0.04000 0.42000 0.00000 -0.24000 0.00000 -1.08000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_25.PDB 3.23294 -9.51000 -2.85000 -7.42000 -5.54000 -2.02000 7.81000 -6.60000 0.10000 6.08000 2.77000 0.00000 0.00000 0.00000 0.13000 0.48000 0.00000 -0.84000 0.00000 -1.12000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_26.PDB 3.98615 -6.84000 -2.76000 -4.58000 -5.22000 -1.61000 6.59000 -6.22000 0.49000 5.51000 2.14000 0.00000 0.00000 0.00000 0.05000 0.40000 0.00000 -0.23000 0.00000 -1.00000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_27.PDB 3.30231 -7.05000 -2.86000 -6.09000 -5.40000 -2.01000 7.96000 -6.35000 1.02000 6.22000 2.69000 0.00000 0.00000 0.00000 0.05000 0.31000 0.00000 -1.15000 0.00000 -1.11000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_28.PDB 2.19742 -3.88000 -0.98000 -1.00000 -3.67000 -0.38000 4.13000 -4.92000 0.03000 2.60000 0.75000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.09000 0.00000 -0.39000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_29.PDB 3.01534 -6.72000 -2.62000 -2.81000 -5.11000 -2.22000 7.13000 -5.89000 0.13000 4.54000 2.33000 0.00000 0.00000 0.00000 0.08000 0.34000 0.00000 -0.76000 0.00000 -1.53000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-12_30.PDB 3.61910 -6.60000 -1.06000 -1.97000 -5.82000 -1.42000 6.18000 -7.38000 0.19000 4.21000 1.58000 0.00000 0.00000 0.00000 0.24000 0.39000 0.00000 -0.39000 0.00000 -0.97000 0.00000 2.38000 66.00000