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-7_1.PDB 2.31869 -6.81000 -0.47000 -2.13000 -7.76000 -1.12000 6.83000 -10.85000 1.37000 5.10000 3.03000 0.00000 0.00000 0.00000 0.06000 0.52000 0.00000 -0.35000 0.00000 -0.52000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_2.PDB 3.33199 -8.52000 -0.46000 -2.05000 -8.30000 -1.12000 6.96000 -11.70000 1.27000 5.32000 2.48000 0.00000 0.00000 0.00000 0.07000 0.58000 0.00000 -0.42000 0.00000 -0.57000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_3.PDB 2.94585 -7.31000 -0.46000 -2.15000 -7.96000 -1.23000 7.46000 -10.87000 1.24000 5.31000 2.45000 0.00000 0.00000 0.00000 0.06000 0.58000 0.00000 -0.61000 0.00000 -0.55000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_4.PDB 2.08473 -4.88000 -0.48000 -2.13000 -6.93000 -1.05000 6.54000 -9.50000 1.16000 4.42000 3.61000 0.00000 0.00000 0.00000 0.03000 0.55000 0.00000 -0.27000 0.00000 -0.30000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_5.PDB 3.80221 -7.45000 -0.36000 -2.00000 -8.40000 -0.96000 7.31000 -11.68000 1.25000 5.22000 3.00000 0.00000 0.00000 0.00000 0.07000 0.58000 0.00000 -0.30000 0.00000 -0.60000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_6.PDB 2.69200 -5.05000 -0.46000 -2.07000 -6.63000 -0.99000 6.24000 -9.15000 1.13000 4.40000 2.93000 0.00000 0.00000 0.00000 0.03000 0.54000 0.00000 -0.17000 0.00000 -0.32000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_7.PDB 3.73442 -8.38000 -0.47000 -0.88000 -7.98000 -1.46000 6.69000 -11.17000 1.24000 4.09000 3.07000 0.00000 0.00000 0.00000 0.05000 0.58000 0.00000 -0.70000 0.00000 -0.85000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_8.PDB 3.71404 -7.63000 -0.49000 -2.10000 -8.16000 -1.21000 6.99000 -11.42000 1.31000 5.49000 2.89000 0.00000 0.00000 0.00000 0.04000 0.61000 0.00000 -0.22000 0.00000 -0.76000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_9.PDB 3.15314 -7.44000 -0.46000 -2.10000 -8.43000 -0.97000 7.24000 -11.75000 1.50000 5.31000 2.93000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.33000 0.00000 -0.49000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_10.PDB 3.14113 -8.03000 -0.48000 -2.14000 -8.59000 -0.97000 7.38000 -12.00000 1.31000 5.70000 2.68000 0.00000 0.00000 0.00000 0.08000 0.58000 0.00000 -0.41000 0.00000 -0.58000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_11.PDB 2.91570 -8.55000 -1.04000 -3.03000 -8.67000 -3.20000 9.30000 -10.89000 1.40000 6.59000 3.52000 0.00000 0.00000 0.00000 0.09000 0.71000 0.00000 -0.87000 0.00000 -1.74000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_12.PDB 3.53743 -8.13000 -0.48000 -3.70000 -8.08000 -2.51000 8.45000 -10.42000 1.31000 6.66000 2.46000 0.00000 0.00000 0.00000 0.04000 0.62000 0.00000 -0.41000 0.00000 -1.45000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_13.PDB 3.47195 -6.71000 -0.48000 -2.11000 -7.69000 -1.39000 7.19000 -10.50000 1.32000 5.62000 2.72000 0.00000 0.00000 0.00000 0.04000 0.55000 0.00000 -0.29000 0.00000 -1.14000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_14.PDB 3.36575 -7.66000 -0.47000 -2.13000 -8.30000 -1.00000 7.10000 -11.56000 1.48000 5.42000 2.67000 0.00000 0.00000 0.00000 0.07000 0.58000 0.00000 -0.35000 0.00000 -0.58000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_15.PDB 3.09682 -6.40000 -0.46000 -2.10000 -8.06000 -0.98000 6.84000 -11.34000 2.28000 5.02000 3.20000 0.00000 0.00000 0.00000 0.07000 0.58000 0.00000 -0.43000 0.00000 -0.44000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_16.PDB 2.14607 -5.45000 -0.46000 -2.13000 -6.95000 -0.68000 6.42000 -9.67000 1.32000 4.35000 2.68000 0.00000 0.00000 0.00000 0.04000 0.54000 0.00000 -0.25000 0.00000 -0.12000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_17.PDB 3.18477 -9.36000 -1.05000 -4.99000 -9.25000 -3.69000 10.80000 -11.15000 1.57000 8.45000 2.78000 0.00000 0.00000 0.00000 0.13000 0.69000 0.00000 -0.85000 0.00000 -2.11000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_18.PDB 2.30595 -7.70000 -0.49000 -3.09000 -7.59000 -2.09000 7.35000 -10.06000 1.20000 5.68000 2.84000 0.00000 0.00000 0.00000 0.06000 0.58000 0.00000 -0.33000 0.00000 -1.19000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_19.PDB 2.43578 -7.49000 -0.48000 -3.82000 -7.34000 -2.92000 8.62000 -9.12000 1.37000 5.83000 2.37000 0.00000 0.00000 0.00000 0.05000 0.61000 0.00000 -0.71000 0.00000 -1.33000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_20.PDB 3.39909 -7.96000 -0.47000 -2.19000 -7.96000 -0.83000 6.61000 -11.25000 1.24000 5.05000 2.49000 0.00000 0.00000 0.00000 0.05000 0.57000 0.00000 -0.18000 0.00000 -0.51000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_21.PDB 2.60350 -8.03000 -0.47000 -2.93000 -7.33000 -1.92000 7.10000 -9.79000 1.28000 5.59000 2.23000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.56000 0.00000 -1.25000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_22.PDB 3.21869 -7.16000 -0.46000 -0.43000 -7.98000 -0.65000 6.36000 -11.22000 1.42000 3.29000 3.06000 0.00000 0.00000 0.00000 0.07000 0.58000 0.00000 -0.27000 0.00000 -0.33000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_23.PDB 3.34823 -7.13000 -0.37000 -2.05000 -8.09000 -0.67000 6.99000 -11.21000 1.14000 5.00000 2.73000 0.00000 0.00000 0.00000 0.06000 0.53000 0.00000 -0.21000 0.00000 -0.44000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_24.PDB 3.09881 -8.21000 -1.07000 -2.96000 -8.85000 -3.19000 9.71000 -10.93000 1.35000 6.58000 3.83000 0.00000 0.00000 0.00000 0.08000 0.69000 0.00000 -1.01000 0.00000 -1.76000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_25.PDB 3.46645 -8.55000 -0.46000 -1.23000 -8.19000 -2.73000 8.22000 -10.42000 1.21000 4.69000 2.21000 0.00000 0.00000 0.00000 0.06000 0.65000 0.00000 -0.45000 0.00000 -1.45000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_26.PDB 3.09689 -6.39000 -0.43000 -2.02000 -7.94000 -0.96000 7.31000 -10.89000 1.24000 4.85000 3.16000 0.00000 0.00000 0.00000 0.04000 0.56000 0.00000 -0.33000 0.00000 -0.43000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_27.PDB 2.80605 -6.43000 -0.47000 -2.05000 -7.72000 -1.03000 6.91000 -10.63000 1.23000 4.96000 3.06000 0.00000 0.00000 0.00000 0.09000 0.53000 0.00000 -0.29000 0.00000 -0.48000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_28.PDB 3.23283 -6.20000 -0.47000 -2.17000 -7.54000 -0.98000 6.97000 -10.41000 1.17000 4.94000 2.80000 0.00000 0.00000 0.00000 0.03000 0.58000 0.00000 -0.20000 0.00000 -0.34000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_29.PDB 3.54283 -10.22000 -2.07000 -2.15000 -8.73000 -2.15000 8.85000 -11.24000 1.27000 5.05000 3.72000 0.00000 0.00000 0.00000 0.04000 0.63000 0.00000 -1.37000 0.00000 -1.43000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-7_30.PDB 2.52947 -6.49000 -0.46000 -3.83000 -7.16000 -2.56000 8.26000 -9.02000 1.24000 5.85000 3.01000 0.00000 0.00000 0.00000 0.03000 0.54000 0.00000 -0.60000 0.00000 -1.24000 0.00000 2.38000 66.00000