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-16_1.PDB 6.01021 -7.76000 -0.05000 -0.78000 -10.30000 -1.33000 9.02000 -14.44000 1.41000 5.29000 4.36000 0.00000 0.00000 0.00000 0.20000 1.11000 0.00000 -0.26000 0.00000 -0.90000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_2.PDB 6.67112 -8.90000 -1.67000 -3.41000 -11.35000 -2.73000 10.87000 -15.22000 4.12000 7.35000 4.86000 0.00000 0.00000 0.00000 0.36000 1.17000 0.00000 -0.55000 0.00000 -1.52000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_3.PDB 6.99202 -8.79000 -2.32000 -3.39000 -10.83000 -2.81000 11.35000 -13.94000 1.32000 8.35000 5.44000 0.00000 0.00000 0.00000 0.24000 1.24000 0.00000 -0.53000 0.00000 -1.67000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_4.PDB 5.42127 -11.27000 -1.68000 -2.53000 -11.09000 -2.64000 10.90000 -14.80000 1.33000 6.42000 4.83000 0.00000 0.00000 0.00000 0.45000 1.13000 0.00000 -0.93000 0.00000 -1.52000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_5.PDB 6.42147 -7.05000 -0.05000 -0.57000 -9.83000 -2.42000 9.28000 -13.33000 1.94000 4.93000 4.24000 0.00000 0.00000 0.00000 0.23000 1.13000 0.00000 -0.32000 0.00000 -1.17000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_6.PDB 7.91363 -11.33000 -2.28000 -4.15000 -11.40000 -2.90000 11.62000 -14.87000 1.46000 8.48000 4.88000 0.00000 0.00000 0.00000 0.28000 1.25000 0.00000 -0.69000 0.00000 -1.75000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_7.PDB 6.61227 -9.06000 -0.82000 -0.76000 -9.55000 -1.37000 8.01000 -13.42000 1.47000 4.50000 4.07000 0.00000 0.00000 0.00000 0.32000 0.95000 0.00000 -0.29000 0.00000 -1.22000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_8.PDB 6.88747 -6.97000 -0.87000 -1.29000 -9.88000 -2.44000 9.52000 -13.16000 1.79000 6.47000 4.55000 0.00000 0.00000 0.00000 0.26000 1.15000 0.00000 -0.43000 0.00000 -1.50000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_9.PDB 4.78361 -8.36000 -1.60000 -1.53000 -9.61000 -0.98000 8.33000 -13.36000 1.28000 5.22000 4.82000 0.00000 0.00000 0.00000 0.35000 1.01000 0.00000 -0.34000 0.00000 -0.94000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_10.PDB 7.99040 -9.29000 -0.75000 -1.50000 -11.01000 -1.55000 10.07000 -14.99000 1.86000 6.46000 3.82000 0.00000 0.00000 0.00000 0.38000 1.14000 0.00000 -0.91000 0.00000 -1.16000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_11.PDB 5.34101 -9.84000 -1.64000 -2.76000 -10.43000 -1.35000 9.51000 -14.42000 1.90000 5.85000 4.45000 0.00000 0.00000 0.00000 0.29000 1.07000 0.00000 -0.16000 0.00000 -1.08000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_12.PDB 7.84755 -10.73000 -2.31000 -2.37000 -10.82000 -2.68000 11.15000 -14.12000 1.32000 6.03000 4.98000 0.00000 0.00000 0.00000 0.49000 1.23000 0.00000 -0.72000 0.00000 -1.67000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_13.PDB 6.38674 -11.18000 -0.80000 -2.51000 -10.36000 -2.91000 9.52000 -13.96000 2.43000 5.48000 3.74000 0.00000 0.00000 0.00000 0.25000 1.15000 0.00000 -0.62000 0.00000 -1.45000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_14.PDB 7.69300 -11.63000 -2.26000 -4.13000 -11.52000 -3.16000 11.70000 -15.09000 1.70000 8.51000 5.05000 0.00000 0.00000 0.00000 0.21000 1.25000 0.00000 -0.68000 0.00000 -1.96000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_15.PDB 6.27524 -7.58000 -0.87000 -1.60000 -9.73000 -1.63000 8.78000 -13.33000 1.36000 6.07000 4.79000 0.00000 0.00000 0.00000 0.24000 1.09000 0.00000 -0.34000 0.00000 -1.33000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_16.PDB 7.26889 -10.28000 -0.78000 -1.40000 -9.92000 -1.87000 8.88000 -13.68000 1.08000 4.36000 4.15000 0.00000 0.00000 0.00000 0.56000 1.08000 0.00000 -0.57000 0.00000 -1.09000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_17.PDB 7.61277 -8.39000 -1.52000 -1.49000 -9.77000 -1.65000 9.29000 -12.95000 1.67000 5.41000 4.02000 0.00000 0.00000 0.00000 0.16000 1.00000 0.00000 -0.13000 0.00000 -1.43000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_18.PDB 6.53313 -9.27000 -0.81000 -0.76000 -10.05000 -1.36000 8.89000 -13.88000 1.49000 4.41000 4.32000 0.00000 0.00000 0.00000 0.20000 0.99000 0.00000 -0.53000 0.00000 -1.18000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_19.PDB 5.24241 -10.40000 -0.79000 -2.60000 -10.54000 -2.59000 9.71000 -14.49000 1.69000 6.74000 4.28000 0.00000 0.00000 0.00000 0.34000 1.12000 0.00000 -0.62000 0.00000 -1.52000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_20.PDB 4.91098 -10.60000 -1.67000 -2.60000 -10.23000 -2.61000 9.76000 -13.78000 1.52000 6.60000 4.45000 0.00000 0.00000 0.00000 0.29000 1.11000 0.00000 -0.79000 0.00000 -1.54000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_21.PDB 6.67043 -7.82000 -0.03000 -0.80000 -9.87000 -1.36000 8.52000 -13.90000 1.46000 4.95000 4.22000 0.00000 0.00000 0.00000 0.12000 1.07000 0.00000 -0.16000 0.00000 -0.97000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_22.PDB 6.55221 -6.22000 -0.06000 0.00000 -8.96000 -1.25000 7.79000 -12.60000 1.05000 4.53000 4.35000 0.00000 0.00000 0.00000 0.35000 1.05000 0.00000 -0.26000 0.00000 -1.17000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_23.PDB 7.01011 -11.10000 -2.40000 -3.31000 -11.32000 -2.63000 11.46000 -14.87000 1.45000 7.40000 5.13000 0.00000 0.00000 0.00000 0.31000 1.18000 0.00000 -0.80000 0.00000 -1.52000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_24.PDB 4.03433 -7.01000 -0.03000 -0.21000 -9.34000 -1.34000 8.05000 -13.19000 1.32000 4.60000 4.47000 0.00000 0.00000 0.00000 0.12000 0.92000 0.00000 -0.31000 0.00000 -1.15000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_25.PDB 6.86682 -10.52000 -0.77000 -1.77000 -9.77000 -2.66000 9.22000 -13.19000 1.13000 4.99000 4.25000 0.00000 0.00000 0.00000 0.27000 0.96000 0.00000 -0.61000 0.00000 -1.61000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_26.PDB 3.89018 -8.21000 -0.06000 -0.05000 -10.22000 -2.40000 9.34000 -13.94000 1.04000 5.27000 4.22000 0.00000 0.00000 0.00000 0.29000 1.09000 0.00000 -0.35000 0.00000 -1.34000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_27.PDB 6.16097 -9.80000 -1.63000 -2.39000 -10.47000 -3.00000 10.61000 -13.80000 1.96000 6.32000 4.47000 0.00000 0.00000 0.00000 0.39000 1.13000 0.00000 -0.49000 0.00000 -1.78000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_28.PDB 8.52773 -9.74000 -0.73000 -1.54000 -10.86000 -2.39000 10.31000 -14.62000 1.78000 5.92000 3.89000 0.00000 0.00000 0.00000 0.49000 1.18000 0.00000 -0.44000 0.00000 -1.56000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_29.PDB 7.68362 -8.21000 -0.84000 -0.83000 -9.93000 -2.07000 9.21000 -13.35000 1.21000 5.40000 4.58000 0.00000 0.00000 0.00000 0.46000 1.13000 0.00000 -0.73000 0.00000 -1.31000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-16_30.PDB 7.37196 -7.93000 -0.84000 -1.78000 -10.22000 -2.92000 10.03000 -13.53000 1.33000 7.54000 4.77000 0.00000 0.00000 0.00000 0.28000 1.17000 0.00000 -0.54000 0.00000 -2.05000 0.00000 2.38000 67.00000