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-11_1.PDB 3.73208 -6.23000 -2.63000 -3.42000 -8.04000 -1.73000 9.04000 -9.59000 1.79000 6.58000 3.90000 0.00000 0.00000 0.00000 0.11000 1.23000 0.00000 -0.86000 0.00000 -1.37000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_2.PDB 4.18220 -7.02000 -1.06000 -4.25000 -7.71000 -3.14000 9.23000 -8.97000 1.77000 6.55000 2.74000 0.00000 0.00000 0.00000 0.17000 1.10000 0.00000 -0.55000 0.00000 -1.79000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_3.PDB 3.35352 -7.24000 -2.68000 -5.19000 -8.69000 -1.91000 9.74000 -10.65000 2.40000 7.06000 4.53000 0.00000 0.00000 0.00000 0.20000 1.31000 0.00000 -0.68000 0.00000 -1.35000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_4.PDB 3.46124 -7.55000 -2.66000 -5.85000 -7.76000 -2.48000 10.00000 -8.94000 1.71000 6.93000 4.54000 0.00000 0.00000 0.00000 0.14000 1.10000 0.00000 -1.56000 0.00000 -1.64000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_5.PDB 3.40066 -7.80000 -2.65000 -6.78000 -7.55000 -2.09000 9.71000 -8.75000 1.58000 6.89000 4.47000 0.00000 0.00000 0.00000 0.19000 1.11000 0.00000 -1.16000 0.00000 -1.65000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_6.PDB 3.88067 -6.10000 -1.09000 -3.08000 -7.98000 -1.31000 8.22000 -10.31000 1.79000 5.79000 3.48000 0.00000 0.00000 0.00000 0.16000 1.35000 0.00000 -0.46000 0.00000 -1.31000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_7.PDB 3.24990 -6.06000 -2.63000 -5.04000 -7.04000 -1.93000 9.46000 -7.86000 1.38000 6.57000 3.82000 0.00000 0.00000 0.00000 0.14000 1.01000 0.00000 -1.33000 0.00000 -1.61000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_8.PDB 3.28868 -6.33000 -2.70000 -3.37000 -7.96000 -1.96000 9.43000 -9.55000 1.42000 6.56000 3.90000 0.00000 0.00000 0.00000 0.13000 1.26000 0.00000 -0.61000 0.00000 -1.62000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_9.PDB 4.08954 -7.74000 -2.69000 -5.11000 -8.67000 -1.87000 9.55000 -10.58000 1.85000 7.11000 4.66000 0.00000 0.00000 0.00000 0.18000 1.28000 0.00000 -0.77000 0.00000 -1.39000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_10.PDB 3.48331 -7.72000 -2.57000 -8.12000 -7.97000 -1.80000 10.51000 -9.32000 1.61000 8.02000 4.40000 0.00000 0.00000 0.00000 0.15000 1.16000 0.00000 -1.13000 0.00000 -1.51000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_11.PDB 3.86447 -7.54000 -2.73000 -4.76000 -8.68000 -1.79000 10.40000 -10.69000 1.76000 7.22000 4.20000 0.00000 0.00000 0.00000 0.15000 1.27000 0.00000 -1.21000 0.00000 -1.40000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_12.PDB 2.64120 -6.06000 -2.53000 -4.82000 -8.49000 -1.58000 10.56000 -10.46000 1.72000 6.85000 4.57000 0.00000 0.00000 0.00000 0.13000 1.35000 0.00000 -0.83000 0.00000 -1.19000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_13.PDB 3.40638 -8.33000 -2.65000 -5.00000 -7.80000 -2.32000 9.51000 -9.13000 1.39000 6.93000 3.61000 0.00000 0.00000 0.00000 0.18000 1.29000 0.00000 -1.08000 0.00000 -1.95000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_14.PDB 3.99607 -7.35000 -2.71000 -5.15000 -8.82000 -2.08000 10.47000 -10.87000 2.97000 7.16000 4.37000 0.00000 0.00000 0.00000 0.14000 1.41000 0.00000 -1.09000 0.00000 -1.74000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_15.PDB 4.11245 -6.80000 -2.44000 -4.86000 -8.02000 -1.84000 8.99000 -10.03000 2.47000 6.70000 4.58000 0.00000 0.00000 0.00000 0.17000 1.02000 0.00000 -0.97000 0.00000 -1.55000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_16.PDB 3.56138 -7.91000 -2.68000 -4.50000 -7.40000 -2.46000 9.07000 -8.80000 1.47000 6.63000 4.14000 0.00000 0.00000 0.00000 0.13000 1.30000 0.00000 -1.48000 0.00000 -2.03000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_17.PDB 2.16545 -9.99000 -1.70000 -3.16000 -8.37000 -1.77000 7.97000 -10.73000 1.28000 4.81000 3.65000 0.00000 0.00000 0.00000 0.12000 1.26000 0.00000 -0.81000 0.00000 -1.28000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_18.PDB 2.99630 -8.97000 -2.47000 -7.91000 -6.93000 -1.78000 8.25000 -8.39000 1.12000 7.35000 4.34000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -1.28000 0.00000 -1.37000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_19.PDB 3.72342 -6.44000 -2.70000 -3.89000 -8.57000 -1.16000 9.14000 -10.50000 1.82000 6.41000 4.31000 0.00000 0.00000 0.00000 0.14000 1.29000 0.00000 -0.64000 0.00000 -0.78000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_20.PDB 3.98048 -5.55000 -0.89000 -1.48000 -8.12000 -2.32000 8.51000 -9.32000 2.15000 4.08000 3.74000 0.00000 0.00000 0.00000 0.16000 1.07000 0.00000 -0.79000 0.00000 -1.26000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_21.PDB 2.80940 -9.58000 -1.64000 -6.62000 -7.51000 -2.15000 8.28000 -9.15000 1.33000 5.66000 4.42000 0.00000 0.00000 0.00000 0.10000 1.19000 0.00000 -0.60000 0.00000 -1.69000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_22.PDB 3.88554 -7.68000 -1.58000 -4.01000 -7.14000 -1.50000 6.87000 -9.37000 1.50000 5.26000 3.72000 0.00000 0.00000 0.00000 0.13000 0.97000 0.00000 -0.44000 0.00000 -1.11000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_23.PDB 3.74282 -6.69000 -2.64000 -4.29000 -9.00000 -1.34000 10.15000 -11.01000 1.90000 6.64000 4.10000 0.00000 0.00000 0.00000 0.17000 1.40000 0.00000 -0.51000 0.00000 -0.87000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_24.PDB 3.14548 -7.54000 -2.67000 -4.96000 -7.79000 -1.93000 9.35000 -9.44000 1.43000 6.52000 4.24000 0.00000 0.00000 0.00000 0.16000 1.26000 0.00000 -1.04000 0.00000 -1.41000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_25.PDB 3.21190 -6.44000 -2.70000 -5.43000 -7.53000 -1.32000 9.29000 -8.82000 1.38000 6.34000 4.32000 0.00000 0.00000 0.00000 0.15000 1.07000 0.00000 -1.23000 0.00000 -0.88000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_26.PDB 2.97106 -7.35000 -2.58000 -4.75000 -7.62000 -2.66000 9.47000 -8.91000 1.80000 6.99000 4.00000 0.00000 0.00000 0.00000 0.17000 1.14000 0.00000 -1.04000 0.00000 -2.22000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_27.PDB 4.23024 -6.54000 -1.02000 -4.75000 -7.90000 -2.83000 9.64000 -9.51000 2.01000 6.90000 2.91000 0.00000 0.00000 0.00000 0.15000 1.26000 0.00000 -0.37000 0.00000 -1.76000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_28.PDB 3.38563 -6.47000 -2.73000 -4.03000 -8.78000 -1.73000 10.13000 -10.98000 2.11000 7.12000 4.35000 0.00000 0.00000 0.00000 0.17000 1.43000 0.00000 -0.74000 0.00000 -1.36000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_29.PDB 3.50560 -7.94000 -2.22000 -6.97000 -9.09000 -3.96000 12.99000 -9.99000 1.50000 8.88000 4.36000 0.00000 0.00000 0.00000 0.20000 1.32000 0.00000 -0.98000 0.00000 -2.65000 0.00000 2.38000 65.00000 BEM1-D2_1SEM-11_30.PDB 3.42282 -6.54000 -1.51000 -4.01000 -7.16000 -1.76000 8.66000 -9.47000 1.39000 5.54000 3.74000 0.00000 0.00000 0.00000 0.09000 0.70000 0.00000 -0.66000 0.00000 -1.40000 0.00000 2.38000 65.00000