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-20_1.PDB 4.34326 -9.16000 -0.62000 -2.54000 -10.75000 -4.16000 12.49000 -13.63000 2.35000 6.19000 4.26000 0.00000 0.00000 0.00000 0.06000 0.96000 0.00000 -0.46000 0.00000 -2.35000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_2.PDB 4.36741 -9.34000 -0.56000 -2.37000 -10.91000 -4.02000 12.55000 -13.86000 2.51000 6.18000 3.58000 0.00000 0.00000 0.00000 0.05000 0.91000 0.00000 -0.25000 0.00000 -2.23000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_3.PDB 3.05722 -8.87000 -0.70000 -1.23000 -9.32000 -2.30000 9.79000 -12.14000 0.91000 5.12000 3.13000 0.00000 0.00000 0.00000 0.04000 1.02000 0.00000 -0.56000 0.00000 -1.60000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_4.PDB 4.26721 -9.95000 -0.68000 -2.60000 -10.51000 -3.67000 11.70000 -13.62000 2.11000 6.27000 3.95000 0.00000 0.00000 0.00000 0.02000 0.66000 0.00000 -0.84000 0.00000 -2.08000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_5.PDB 4.35411 -10.24000 -1.41000 -2.58000 -10.52000 -3.60000 11.70000 -13.66000 2.29000 6.75000 3.57000 0.00000 0.00000 0.00000 0.05000 0.69000 0.00000 -0.84000 0.00000 -1.97000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_6.PDB 3.66022 -9.00000 -0.61000 -2.72000 -10.41000 -3.87000 11.69000 -13.41000 3.31000 6.18000 3.33000 0.00000 0.00000 0.00000 0.04000 0.69000 0.00000 -0.42000 0.00000 -2.12000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_7.PDB 4.74882 -9.18000 -1.50000 -3.61000 -10.45000 -3.84000 12.68000 -13.16000 2.27000 7.08000 4.53000 0.00000 0.00000 0.00000 0.04000 0.84000 0.00000 -0.91000 0.00000 -2.30000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_8.PDB 4.45409 -8.78000 -1.47000 -3.40000 -10.49000 -3.98000 13.03000 -12.99000 2.05000 6.89000 4.13000 0.00000 0.00000 0.00000 0.07000 0.69000 0.00000 -0.35000 0.00000 -2.27000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_9.PDB 4.65148 -9.66000 -1.34000 -2.74000 -11.12000 -4.49000 12.83000 -13.95000 2.13000 7.82000 4.60000 0.00000 0.00000 0.00000 0.04000 0.94000 0.00000 -0.68000 0.00000 -2.76000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_10.PDB 3.15083 -8.06000 -0.60000 -1.50000 -8.20000 -1.55000 9.11000 -10.68000 0.57000 3.94000 3.69000 0.00000 0.00000 0.00000 0.04000 0.66000 0.00000 -1.50000 0.00000 -1.38000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_11.PDB 4.53138 -9.04000 -1.50000 -3.21000 -10.76000 -3.88000 13.21000 -13.25000 2.24000 6.84000 3.77000 0.00000 0.00000 0.00000 0.06000 0.85000 0.00000 -0.42000 0.00000 -2.15000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_12.PDB 4.43956 -10.71000 -0.69000 -2.46000 -11.43000 -4.98000 13.67000 -14.36000 1.84000 7.41000 3.83000 0.00000 0.00000 0.00000 0.08000 0.96000 0.00000 -0.68000 0.00000 -2.95000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_13.PDB 3.12653 -9.18000 -0.62000 -2.56000 -8.99000 -2.46000 10.51000 -11.26000 1.13000 5.33000 2.64000 0.00000 0.00000 0.00000 0.05000 0.72000 0.00000 -0.98000 0.00000 -1.98000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_14.PDB 2.69912 -8.49000 -0.66000 -2.32000 -9.12000 -3.18000 10.83000 -11.47000 0.73000 5.79000 3.51000 0.00000 0.00000 0.00000 0.05000 0.76000 0.00000 -0.35000 0.00000 -2.30000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_15.PDB 4.91858 -9.24000 -0.64000 -1.28000 -11.81000 -4.31000 13.46000 -15.03000 2.37000 5.53000 4.57000 0.00000 0.00000 0.00000 0.06000 1.17000 0.00000 -0.35000 0.00000 -1.81000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_16.PDB 4.53703 -9.82000 -0.62000 -1.48000 -11.11000 -3.49000 12.08000 -14.47000 2.24000 5.46000 3.59000 0.00000 0.00000 0.00000 0.05000 0.91000 0.00000 -0.48000 0.00000 -1.60000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_17.PDB 2.61214 -9.35000 -0.61000 -2.70000 -9.58000 -2.98000 11.16000 -12.01000 1.12000 5.92000 2.81000 0.00000 0.00000 0.00000 0.06000 0.91000 0.00000 -0.34000 0.00000 -2.21000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_18.PDB 4.61755 -9.74000 -0.65000 -1.56000 -11.22000 -3.56000 12.57000 -14.51000 1.91000 5.36000 3.61000 0.00000 0.00000 0.00000 0.08000 0.95000 0.00000 -0.19000 0.00000 -1.60000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_19.PDB 4.25757 -9.96000 -1.44000 -2.29000 -11.40000 -4.35000 12.52000 -14.40000 3.27000 6.50000 4.12000 0.00000 0.00000 0.00000 0.11000 1.14000 0.00000 -0.53000 0.00000 -2.06000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_20.PDB 3.14206 -8.06000 -0.62000 -2.10000 -8.48000 -1.60000 9.60000 -10.92000 0.84000 4.37000 3.66000 0.00000 0.00000 0.00000 0.06000 0.69000 0.00000 -1.58000 0.00000 -1.30000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_21.PDB 4.56126 -9.85000 -0.62000 -2.71000 -11.01000 -4.08000 12.65000 -13.98000 2.37000 6.44000 3.63000 0.00000 0.00000 0.00000 0.07000 1.07000 0.00000 -0.28000 0.00000 -2.30000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_22.PDB 5.73240 -10.83000 -0.65000 -3.38000 -10.87000 -3.90000 12.13000 -13.94000 2.53000 6.03000 3.62000 0.00000 0.00000 0.00000 0.06000 1.02000 0.00000 -0.36000 0.00000 -2.09000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_23.PDB 2.53369 -7.48000 -0.55000 -1.32000 -9.14000 -3.07000 10.46000 -11.40000 1.07000 4.68000 4.22000 0.00000 0.00000 0.00000 0.04000 0.88000 0.00000 -0.65000 0.00000 -1.81000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_24.PDB 2.55392 -7.04000 -0.54000 -1.86000 -9.10000 -3.18000 11.51000 -11.25000 0.90000 4.68000 4.17000 0.00000 0.00000 0.00000 0.06000 0.78000 0.00000 -0.44000 0.00000 -1.99000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_25.PDB 3.11541 -8.56000 -0.58000 -2.61000 -8.56000 -2.18000 9.96000 -10.85000 1.33000 5.21000 2.99000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -1.47000 0.00000 -1.81000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_26.PDB 2.31447 -10.03000 -0.65000 -2.62000 -9.43000 -2.95000 10.66000 -12.05000 1.06000 6.05000 2.56000 0.00000 0.00000 0.00000 0.03000 0.62000 0.00000 -0.41000 0.00000 -2.28000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_27.PDB 2.20261 -10.43000 -0.59000 -4.39000 -9.07000 -2.97000 11.29000 -11.36000 0.97000 6.01000 2.29000 0.00000 0.00000 0.00000 0.02000 0.47000 0.00000 -0.38000 0.00000 -2.25000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_28.PDB 4.38486 -10.11000 -0.61000 -1.91000 -10.66000 -4.20000 11.62000 -13.75000 2.09000 6.92000 3.45000 0.00000 0.00000 0.00000 0.02000 0.64000 0.00000 -0.48000 0.00000 -2.60000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_29.PDB 4.42958 -9.62000 -0.62000 -1.74000 -10.76000 -3.39000 11.55000 -14.18000 2.33000 5.39000 4.11000 0.00000 0.00000 0.00000 0.02000 0.70000 0.00000 -0.78000 0.00000 -1.55000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-20_30.PDB 2.29076 -8.98000 -0.55000 -3.38000 -8.84000 -3.21000 11.18000 -11.02000 0.95000 6.09000 2.72000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.51000 0.00000 -2.43000 0.00000 2.38000 67.00000