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-9_1.PDB 1.86294 -12.84000 -1.87000 -3.27000 -8.49000 -1.40000 7.53000 -11.50000 0.35000 5.24000 2.73000 0.00000 0.00000 0.00000 0.02000 0.49000 0.00000 -1.11000 0.00000 -1.08000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_2.PDB 1.88597 -12.67000 -2.73000 -4.25000 -8.49000 -1.39000 8.13000 -10.92000 0.21000 5.89000 3.18000 0.00000 0.00000 0.00000 0.07000 0.74000 0.00000 -1.25000 0.00000 -1.12000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_3.PDB 2.43227 -12.66000 -1.97000 -3.31000 -8.21000 -1.20000 7.12000 -11.19000 0.23000 4.94000 2.78000 0.00000 0.00000 0.00000 0.02000 0.60000 0.00000 -0.94000 0.00000 -0.93000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_4.PDB 2.49048 -10.80000 -2.13000 -3.59000 -8.27000 -0.89000 7.46000 -11.14000 0.83000 5.39000 2.98000 0.00000 0.00000 0.00000 0.02000 0.77000 0.00000 -0.84000 0.00000 -0.60000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_5.PDB 1.73808 -11.88000 -1.98000 -3.32000 -8.28000 -1.07000 7.53000 -11.18000 0.29000 5.13000 2.72000 0.00000 0.00000 0.00000 0.04000 0.46000 0.00000 -0.93000 0.00000 -0.84000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_6.PDB 2.20361 -12.30000 -2.78000 -4.35000 -8.60000 -1.26000 8.29000 -11.07000 0.43000 5.95000 3.28000 0.00000 0.00000 0.00000 0.10000 0.75000 0.00000 -1.27000 0.00000 -1.01000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_7.PDB 2.37596 -11.26000 -2.80000 -4.29000 -9.02000 -2.02000 9.40000 -11.32000 0.67000 6.69000 3.44000 0.00000 0.00000 0.00000 0.13000 0.92000 0.00000 -1.06000 0.00000 -1.09000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_8.PDB 2.13613 -12.13000 -1.86000 -3.46000 -8.47000 -1.05000 7.58000 -11.43000 0.39000 5.10000 2.79000 0.00000 0.00000 0.00000 0.02000 0.52000 0.00000 -0.92000 0.00000 -0.81000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_9.PDB 2.08810 -12.91000 -1.89000 -3.40000 -8.33000 -1.11000 7.08000 -11.38000 0.60000 4.93000 2.40000 0.00000 0.00000 0.00000 0.03000 0.50000 0.00000 -0.97000 0.00000 -0.88000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_10.PDB 2.00569 -11.67000 -2.77000 -4.17000 -8.37000 -1.37000 8.28000 -10.71000 0.24000 5.87000 3.47000 0.00000 0.00000 0.00000 0.07000 0.75000 0.00000 -1.10000 0.00000 -1.11000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_11.PDB 2.14741 -11.09000 -1.92000 -3.33000 -8.89000 -1.17000 8.18000 -11.92000 0.99000 5.66000 2.86000 0.00000 0.00000 0.00000 0.07000 0.70000 0.00000 -0.87000 0.00000 -0.74000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_12.PDB 1.89935 -11.67000 -2.84000 -4.32000 -8.50000 -1.18000 8.39000 -10.87000 0.15000 6.01000 3.47000 0.00000 0.00000 0.00000 0.07000 0.75000 0.00000 -1.09000 0.00000 -0.97000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_13.PDB 2.16528 -12.24000 -2.71000 -4.24000 -8.62000 -1.26000 8.31000 -11.06000 0.22000 5.88000 3.31000 0.00000 0.00000 0.00000 0.07000 0.76000 0.00000 -1.09000 0.00000 -1.03000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_14.PDB 1.84896 -11.56000 -1.94000 -3.22000 -9.29000 -1.71000 8.89000 -12.33000 0.77000 5.96000 3.02000 0.00000 0.00000 0.00000 0.05000 0.79000 0.00000 -0.94000 0.00000 -0.84000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_15.PDB 1.70190 -11.38000 -1.67000 -3.30000 -7.92000 -1.08000 7.16000 -10.74000 0.24000 4.85000 2.67000 0.00000 0.00000 0.00000 0.02000 0.55000 0.00000 -0.77000 0.00000 -0.85000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_16.PDB 1.84447 -11.84000 -1.89000 -3.31000 -8.39000 -1.17000 7.68000 -11.26000 0.61000 4.95000 2.74000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.91000 0.00000 -0.90000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_17.PDB 1.81151 -10.90000 -1.94000 -3.29000 -9.05000 -1.62000 8.68000 -11.97000 0.93000 6.00000 3.01000 0.00000 0.00000 0.00000 0.06000 0.81000 0.00000 -0.92000 0.00000 -0.79000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_18.PDB 1.77497 -13.32000 -2.02000 -3.60000 -8.57000 -1.09000 7.26000 -11.70000 0.20000 5.24000 2.53000 0.00000 0.00000 0.00000 0.06000 0.67000 0.00000 -0.84000 0.00000 -0.79000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_19.PDB 1.98741 -10.62000 -2.79000 -4.32000 -9.23000 -1.17000 9.81000 -11.55000 0.24000 6.57000 3.66000 0.00000 0.00000 0.00000 0.08000 0.98000 0.00000 -1.19000 0.00000 -0.73000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_20.PDB 2.42205 -9.94000 -2.08000 -2.03000 -8.54000 -1.38000 7.90000 -11.48000 1.32000 5.35000 2.75000 0.00000 0.00000 0.00000 0.03000 0.85000 0.00000 -0.96000 0.00000 -0.82000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_21.PDB 2.28976 -10.65000 -2.76000 -4.16000 -8.97000 -1.61000 9.46000 -11.19000 0.87000 6.44000 3.31000 0.00000 0.00000 0.00000 0.07000 0.88000 0.00000 -1.16000 0.00000 -0.95000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_22.PDB 1.66586 -12.17000 -1.81000 -3.39000 -8.17000 -1.13000 7.22000 -11.15000 0.30000 5.01000 2.73000 0.00000 0.00000 0.00000 0.01000 0.51000 0.00000 -0.89000 0.00000 -0.90000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_23.PDB 2.03993 -12.95000 -2.54000 -4.05000 -9.22000 -1.75000 8.74000 -11.80000 0.33000 6.49000 3.50000 0.00000 0.00000 0.00000 0.07000 0.87000 0.00000 -1.48000 0.00000 -1.22000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_24.PDB 1.99470 -11.70000 -2.78000 -4.11000 -8.53000 -1.32000 8.64000 -10.79000 0.33000 5.78000 3.20000 0.00000 0.00000 0.00000 0.06000 0.70000 0.00000 -1.15000 0.00000 -1.04000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_25.PDB 1.71264 -12.30000 -1.96000 -3.55000 -8.18000 -1.15000 7.32000 -11.10000 0.18000 5.09000 2.79000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.86000 0.00000 -0.90000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_26.PDB 1.99853 -10.50000 -2.75000 -4.17000 -9.25000 -1.61000 9.64000 -11.61000 0.76000 6.76000 3.73000 0.00000 0.00000 0.00000 0.09000 0.92000 0.00000 -1.15000 0.00000 -0.95000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_27.PDB 2.14228 -12.52000 -2.76000 -5.95000 -8.72000 -1.14000 9.16000 -10.95000 0.15000 6.33000 3.72000 0.00000 0.00000 0.00000 0.06000 0.81000 0.00000 -1.53000 0.00000 -0.92000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_28.PDB 2.34443 -10.99000 -2.84000 -5.94000 -9.33000 -1.67000 10.57000 -11.53000 0.81000 7.07000 3.59000 0.00000 0.00000 0.00000 0.11000 0.93000 0.00000 -1.02000 0.00000 -0.81000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_29.PDB 2.67288 -11.58000 -2.33000 -5.45000 -8.41000 -1.06000 8.93000 -10.58000 0.09000 5.75000 3.18000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -1.00000 0.00000 -0.76000 0.00000 2.38000 66.00000 BEM1-D2_1SEM-9_30.PDB 1.98315 -11.70000 -1.93000 -3.33000 -9.81000 -1.74000 9.06000 -12.98000 0.76000 6.46000 3.48000 0.00000 0.00000 0.00000 0.09000 0.92000 0.00000 -0.85000 0.00000 -0.90000 0.00000 2.38000 66.00000