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-26_1.PDB 2.05435 -9.25000 0.31000 -2.00000 -8.22000 -3.11000 7.70000 -10.62000 0.46000 5.66000 2.60000 0.00000 0.00000 0.00000 0.05000 1.00000 0.00000 -0.25000 0.00000 -1.86000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_2.PDB 2.21855 -10.37000 -0.11000 -0.97000 -7.88000 -2.81000 6.88000 -10.40000 0.45000 4.38000 2.35000 0.00000 0.00000 0.00000 0.09000 1.03000 0.00000 -0.71000 0.00000 -1.65000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_3.PDB 2.60111 -8.23000 -0.09000 -0.00000 -7.05000 -0.96000 4.94000 -10.16000 0.35000 3.54000 2.60000 0.00000 0.00000 0.00000 0.05000 0.89000 0.00000 -0.40000 0.00000 -1.05000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_4.PDB 2.56729 -7.49000 -0.10000 -0.28000 -7.12000 -0.96000 5.54000 -10.07000 0.35000 3.72000 2.59000 0.00000 0.00000 0.00000 0.03000 1.10000 0.00000 -0.17000 0.00000 -1.02000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_5.PDB 2.65089 -7.00000 -0.09000 -0.34000 -7.10000 -1.01000 5.72000 -9.91000 0.59000 3.79000 2.54000 0.00000 0.00000 0.00000 0.04000 1.05000 0.00000 -0.16000 0.00000 -1.07000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_6.PDB 3.08569 -7.65000 -0.10000 -0.08000 -7.17000 -0.96000 5.37000 -10.22000 0.40000 3.60000 2.63000 0.00000 0.00000 0.00000 0.09000 1.15000 0.00000 -0.20000 0.00000 -1.02000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_7.PDB 2.82545 -7.21000 -0.09000 -0.00000 -6.73000 -0.47000 4.17000 -9.86000 0.81000 3.22000 2.31000 0.00000 0.00000 0.00000 0.07000 0.89000 0.00000 -0.14000 0.00000 -0.50000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_8.PDB 1.65122 -9.88000 0.33000 -2.10000 -8.39000 -2.92000 7.68000 -11.00000 0.42000 5.67000 2.21000 0.00000 0.00000 0.00000 0.07000 1.00000 0.00000 -0.29000 0.00000 -1.55000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_9.PDB 1.90251 -9.70000 0.32000 -3.66000 -8.40000 -2.76000 7.58000 -11.00000 1.61000 5.98000 2.26000 0.00000 0.00000 0.00000 0.04000 1.07000 0.00000 -0.16000 0.00000 -1.52000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_10.PDB 2.10175 -9.18000 0.29000 -2.09000 -8.31000 -2.69000 7.80000 -10.76000 0.43000 4.95000 2.84000 0.00000 0.00000 0.00000 0.10000 1.08000 0.00000 -0.32000 0.00000 -1.42000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_11.PDB 1.97537 -9.31000 0.32000 -2.07000 -8.35000 -3.06000 8.24000 -10.71000 0.36000 5.11000 2.53000 0.00000 0.00000 0.00000 0.06000 1.13000 0.00000 -0.17000 0.00000 -1.57000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_12.PDB 1.82510 -8.86000 0.32000 -1.45000 -8.16000 -2.50000 7.52000 -10.66000 0.53000 4.51000 2.59000 0.00000 0.00000 0.00000 0.07000 1.11000 0.00000 -0.25000 0.00000 -1.38000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_13.PDB 1.72809 -10.14000 0.33000 -4.12000 -8.41000 -3.06000 7.91000 -10.87000 1.40000 6.36000 2.55000 0.00000 0.00000 0.00000 0.07000 1.01000 0.00000 -0.60000 0.00000 -1.69000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_14.PDB 2.48339 -10.57000 0.32000 -4.29000 -8.68000 -3.49000 8.61000 -11.10000 0.67000 6.83000 2.81000 0.00000 0.00000 0.00000 0.07000 1.08000 0.00000 -0.34000 0.00000 -1.98000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_15.PDB 3.01742 -6.78000 -0.10000 -0.28000 -6.86000 -0.92000 5.42000 -9.64000 0.51000 3.72000 2.54000 0.00000 0.00000 0.00000 0.06000 1.11000 0.00000 -0.30000 0.00000 -0.93000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_16.PDB 2.11612 -11.92000 0.31000 -3.09000 -8.52000 -3.48000 8.25000 -11.04000 0.62000 5.36000 2.17000 0.00000 0.00000 0.00000 0.06000 1.05000 0.00000 -0.58000 0.00000 -1.98000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_17.PDB 2.40929 -9.02000 0.29000 -2.74000 -8.64000 -3.16000 8.79000 -10.94000 0.38000 5.61000 3.39000 0.00000 0.00000 0.00000 0.18000 1.15000 0.00000 -0.36000 0.00000 -1.82000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_18.PDB 2.96531 -7.69000 -0.09000 -0.79000 -7.21000 -1.13000 5.93000 -10.12000 0.42000 4.05000 2.53000 0.00000 0.00000 0.00000 0.11000 1.14000 0.00000 -0.25000 0.00000 -1.12000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_19.PDB 1.77463 -9.06000 0.31000 -2.37000 -8.25000 -2.56000 7.31000 -10.91000 0.37000 5.35000 3.18000 0.00000 0.00000 0.00000 0.03000 0.96000 0.00000 -0.23000 0.00000 -1.30000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_20.PDB 1.91713 -10.42000 0.33000 -3.37000 -8.22000 -2.58000 7.18000 -10.82000 0.68000 5.70000 2.29000 0.00000 0.00000 0.00000 0.05000 0.98000 0.00000 -0.45000 0.00000 -1.21000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_21.PDB 1.79665 -9.40000 0.33000 -3.21000 -8.15000 -2.44000 7.36000 -10.69000 0.40000 5.48000 3.10000 0.00000 0.00000 0.00000 0.08000 1.03000 0.00000 -0.46000 0.00000 -1.20000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_22.PDB 1.74272 -9.68000 -0.10000 -2.40000 -8.47000 -2.75000 7.91000 -10.92000 0.45000 5.43000 2.77000 0.00000 0.00000 0.00000 0.04000 1.21000 0.00000 -0.41000 0.00000 -1.25000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_23.PDB 2.57792 -9.47000 -0.97000 -1.79000 -8.43000 -1.37000 7.09000 -11.23000 0.45000 5.64000 3.02000 0.00000 0.00000 0.00000 0.06000 0.94000 0.00000 -0.79000 0.00000 -1.15000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_24.PDB 2.08531 -10.16000 0.31000 -2.49000 -8.56000 -3.20000 8.19000 -11.02000 0.52000 5.48000 2.77000 0.00000 0.00000 0.00000 0.07000 1.07000 0.00000 -0.31000 0.00000 -1.89000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_25.PDB 1.87807 -7.83000 0.33000 -3.52000 -8.52000 -2.64000 8.14000 -10.96000 1.40000 6.00000 3.30000 0.00000 0.00000 0.00000 0.05000 1.29000 0.00000 -0.14000 0.00000 -1.28000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_26.PDB 1.75126 -10.84000 0.28000 -2.89000 -8.28000 -3.29000 8.17000 -10.52000 0.39000 5.37000 2.06000 0.00000 0.00000 0.00000 0.06000 1.02000 0.00000 -0.28000 0.00000 -1.90000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_27.PDB 2.04977 -8.16000 0.32000 -1.76000 -8.28000 -2.67000 7.80000 -10.72000 0.83000 4.93000 3.06000 0.00000 0.00000 0.00000 0.06000 1.16000 0.00000 -0.34000 0.00000 -1.40000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_28.PDB 2.08490 -8.47000 0.31000 -2.48000 -8.37000 -3.24000 8.75000 -10.46000 0.55000 5.88000 2.67000 0.00000 0.00000 0.00000 0.06000 1.21000 0.00000 -0.30000 0.00000 -1.84000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_29.PDB 1.79492 -8.22000 0.31000 -3.25000 -8.50000 -2.92000 8.33000 -10.86000 1.43000 6.08000 3.00000 0.00000 0.00000 0.00000 0.03000 1.21000 0.00000 -0.22000 0.00000 -1.66000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-26_30.PDB 1.85028 -11.44000 0.33000 -2.58000 -8.21000 -3.01000 7.39000 -10.66000 0.34000 5.65000 1.98000 0.00000 0.00000 0.00000 0.05000 1.03000 0.00000 -0.87000 0.00000 -1.84000 0.00000 2.38000 67.00000