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-14_1.PDB 2.34545 -8.48000 -0.44000 -0.41000 -8.88000 -0.06000 7.73000 -13.58000 0.05000 4.86000 2.84000 0.00000 0.00000 0.00000 0.04000 1.37000 0.00000 -0.52000 0.00000 -0.12000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_2.PDB 1.64827 -7.41000 -0.44000 -1.02000 -9.95000 -0.49000 9.26000 -14.83000 1.42000 6.15000 3.54000 0.00000 0.00000 0.00000 0.08000 1.73000 0.00000 -0.53000 0.00000 -0.60000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_3.PDB 1.64306 -7.08000 -0.44000 -0.32000 -10.17000 0.06000 9.03000 -15.38000 1.63000 5.44000 3.57000 0.00000 0.00000 0.00000 0.09000 1.72000 0.00000 -0.54000 0.00000 -0.05000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_4.PDB 3.39292 -10.07000 -1.32000 -1.38000 -9.59000 -0.31000 7.78000 -14.45000 0.49000 6.10000 3.40000 0.00000 0.00000 0.00000 0.07000 1.38000 0.00000 -0.43000 0.00000 -0.42000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_5.PDB 2.97946 -7.56000 -0.44000 -0.32000 -9.19000 0.05000 8.16000 -14.03000 0.14000 4.98000 3.47000 0.00000 0.00000 0.00000 0.10000 1.42000 0.00000 -0.43000 0.00000 -0.05000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_6.PDB 3.15184 -8.09000 -1.32000 -1.20000 -9.12000 -0.20000 8.39000 -13.63000 0.17000 5.98000 3.66000 0.00000 0.00000 0.00000 0.08000 1.57000 0.00000 -0.54000 0.00000 -0.36000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_7.PDB 1.92607 -6.45000 -0.45000 -0.32000 -9.63000 0.06000 8.12000 -14.54000 1.83000 5.09000 3.68000 0.00000 0.00000 0.00000 0.21000 1.55000 0.00000 -0.45000 0.00000 -0.04000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_8.PDB 2.55059 -8.82000 -0.45000 -0.46000 -10.10000 -0.31000 8.16000 -15.39000 1.80000 5.27000 3.31000 0.00000 0.00000 0.00000 0.07000 1.67000 0.00000 -0.29000 0.00000 -0.43000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_9.PDB 3.02051 -8.17000 -1.31000 -1.19000 -9.38000 -0.20000 8.35000 -13.98000 0.20000 6.04000 4.01000 0.00000 0.00000 0.00000 0.08000 1.50000 0.00000 -0.47000 0.00000 -0.32000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_10.PDB 3.19450 -8.45000 -0.45000 -0.38000 -9.98000 -0.02000 8.39000 -15.24000 0.79000 4.98000 3.94000 0.00000 0.00000 0.00000 0.05000 1.65000 0.00000 -0.44000 0.00000 -0.09000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_11.PDB 2.04918 -7.02000 -1.30000 -1.18000 -9.35000 -0.44000 8.09000 -13.96000 1.77000 6.37000 3.92000 0.00000 0.00000 0.00000 0.19000 1.55000 0.00000 -0.48000 0.00000 -0.64000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_12.PDB 2.69315 -7.96000 -1.28000 -1.22000 -9.97000 -0.40000 8.93000 -14.82000 1.34000 6.28000 4.06000 0.00000 0.00000 0.00000 0.09000 1.35000 0.00000 -0.46000 0.00000 -0.52000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_13.PDB 3.01238 -7.13000 -0.45000 -0.40000 -8.99000 -0.01000 7.58000 -13.94000 1.47000 4.62000 3.44000 0.00000 0.00000 0.00000 0.12000 1.53000 0.00000 -0.46000 0.00000 -0.11000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_14.PDB 2.60066 -9.31000 -0.97000 -0.85000 -9.90000 0.01000 8.25000 -15.13000 0.84000 5.33000 3.64000 0.00000 0.00000 0.00000 0.17000 1.60000 0.00000 -0.53000 0.00000 -0.17000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_15.PDB 2.94893 -8.68000 -0.43000 -0.49000 -9.03000 -0.30000 7.42000 -13.67000 0.46000 5.15000 2.89000 0.00000 0.00000 0.00000 0.03000 1.31000 0.00000 -0.29000 0.00000 -0.42000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_16.PDB 2.59301 -9.72000 -0.45000 -0.84000 -9.45000 -0.71000 7.90000 -14.27000 0.21000 6.03000 2.99000 0.00000 0.00000 0.00000 0.05000 1.62000 0.00000 -0.30000 0.00000 -0.88000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_17.PDB 3.62422 -9.23000 -0.45000 -0.49000 -10.03000 -0.09000 8.18000 -15.27000 0.98000 5.15000 3.24000 0.00000 0.00000 0.00000 0.06000 1.53000 0.00000 -0.39000 0.00000 -0.13000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_18.PDB 1.57684 -7.03000 -0.44000 -0.32000 -9.90000 0.10000 8.55000 -15.01000 1.57000 5.20000 3.76000 0.00000 0.00000 0.00000 0.06000 1.40000 0.00000 -0.58000 0.00000 -0.01000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_19.PDB 2.32076 -6.27000 -0.43000 -0.31000 -9.66000 0.08000 8.38000 -14.53000 1.77000 5.13000 3.62000 0.00000 0.00000 0.00000 0.19000 1.66000 0.00000 -0.49000 0.00000 -0.01000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_20.PDB 1.60525 -7.64000 -1.30000 -1.18000 -9.67000 -0.14000 8.49000 -14.48000 1.28000 6.27000 3.83000 0.00000 0.00000 0.00000 0.06000 1.35000 0.00000 -0.49000 0.00000 -0.31000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_21.PDB 2.94143 -7.70000 -0.44000 -0.32000 -9.77000 -0.12000 8.72000 -14.72000 0.66000 5.30000 3.61000 0.00000 0.00000 0.00000 0.10000 1.50000 0.00000 -0.45000 0.00000 -0.27000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_22.PDB 3.27419 -9.54000 -1.28000 -1.27000 -9.28000 -0.41000 7.84000 -14.04000 0.46000 5.86000 3.50000 0.00000 0.00000 0.00000 0.04000 1.54000 0.00000 -0.47000 0.00000 -0.48000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_23.PDB 3.21947 -9.37000 -0.44000 -1.00000 -9.63000 -0.60000 8.41000 -14.43000 0.48000 5.59000 3.27000 0.00000 0.00000 0.00000 0.05000 1.58000 0.00000 -0.42000 0.00000 -0.65000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_24.PDB 1.73098 -7.17000 -0.44000 -0.32000 -10.22000 0.08000 8.97000 -15.43000 1.26000 5.53000 3.77000 0.00000 0.00000 0.00000 0.08000 1.34000 0.00000 -0.44000 0.00000 -0.01000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_25.PDB 3.44781 -8.85000 -0.39000 -0.44000 -8.75000 -0.55000 7.10000 -13.48000 0.81000 4.93000 2.88000 0.00000 0.00000 0.00000 0.04000 1.40000 0.00000 -0.30000 0.00000 -0.69000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_26.PDB 1.67677 -7.41000 -1.27000 -1.15000 -9.52000 -0.16000 8.21000 -14.36000 1.51000 6.10000 4.12000 0.00000 0.00000 0.00000 0.05000 1.42000 0.00000 -0.62000 0.00000 -0.32000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_27.PDB 1.54169 -7.38000 -0.44000 -0.32000 -9.94000 0.10000 8.57000 -15.07000 1.32000 5.26000 3.76000 0.00000 0.00000 0.00000 0.05000 1.58000 0.00000 -0.68000 0.00000 -0.01000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_28.PDB 2.97092 -8.30000 -1.12000 -1.00000 -9.41000 -0.37000 8.49000 -14.03000 0.15000 5.99000 3.92000 0.00000 0.00000 0.00000 0.06000 1.57000 0.00000 -0.46000 0.00000 -0.52000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_29.PDB 2.31797 -7.13000 -0.44000 -0.32000 -9.82000 0.09000 8.45000 -14.97000 1.30000 5.40000 3.77000 0.00000 0.00000 0.00000 0.06000 1.40000 0.00000 -0.65000 0.00000 -0.00000 0.00000 2.38000 67.00000 BEM1-D2_1SEM-14_30.PDB 2.88550 -8.47000 -1.30000 -1.18000 -9.62000 -0.17000 8.72000 -14.39000 0.41000 6.11000 3.91000 0.00000 0.00000 0.00000 0.11000 1.76000 0.00000 -0.75000 0.00000 -0.33000 0.00000 2.38000 67.00000