name total energy Backbone Hbon 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-17_1.PDB 19.04000 -39.94000 -13.88000 -70.42000 -0.96000 88.60000 -90.44000 13.98000 35.27000 97.48000 0.00000 0.00000 0.00000 2.38000 21.28000 0.00000 -2.38000 0.00000 -0.66000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_2.PDB 23.78000 -38.20000 -9.12000 -67.60000 0.11000 84.23000 -87.48000 12.53000 32.32000 96.61000 0.00000 0.00000 0.00000 2.68000 20.96000 0.00000 -2.07000 0.00000 -0.23000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_3.PDB 24.47000 -36.70000 -6.48000 -67.10000 -0.02000 81.62000 -87.77000 13.70000 31.00000 96.27000 0.00000 0.00000 0.00000 2.32000 20.87000 0.00000 -2.08000 0.00000 -0.27000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_4.PDB 21.98000 -38.43000 -8.72000 -69.30000 -0.18000 85.70000 -90.44000 13.43000 32.34000 97.74000 0.00000 0.00000 0.00000 2.28000 21.06000 0.00000 -2.07000 0.00000 -0.38000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_5.PDB 18.45000 -40.40000 -14.03000 -69.92000 -0.84000 87.69000 -89.91000 14.27000 34.77000 97.39000 0.00000 0.00000 0.00000 2.43000 21.31000 0.00000 -2.45000 0.00000 -0.55000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_6.PDB 21.24000 -39.33000 -9.62000 -69.89000 -0.95000 87.04000 -90.66000 14.05000 33.65000 97.71000 0.00000 0.00000 0.00000 2.19000 21.22000 0.00000 -2.22000 0.00000 -0.73000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_7.PDB 20.56000 -39.61000 -14.56000 -68.65000 -0.37000 86.86000 -88.40000 15.07000 33.53000 97.03000 0.00000 0.00000 0.00000 2.22000 21.13000 0.00000 -2.04000 0.00000 -0.53000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_8.PDB 23.07000 -38.23000 -11.18000 -67.88000 -0.58000 86.19000 -87.44000 13.22000 32.22000 96.99000 0.00000 0.00000 0.00000 2.42000 21.04000 0.00000 -1.94000 0.00000 -0.73000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_9.PDB 22.04000 -39.14000 -10.84000 -69.29000 0.05000 86.56000 -89.66000 13.51000 33.61000 97.46000 0.00000 0.00000 0.00000 2.26000 21.12000 0.00000 -2.09000 0.00000 -0.39000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_10.PDB 20.11000 -39.38000 -12.03000 -68.75000 -0.94000 86.17000 -88.63000 12.48000 34.23000 97.66000 0.00000 0.00000 0.00000 2.42000 21.11000 0.00000 -2.22000 0.00000 -0.90000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_11.PDB 19.75000 -39.89000 -12.57000 -70.86000 -1.77000 88.96000 -91.04000 13.77000 36.56000 97.79000 0.00000 0.00000 0.00000 2.37000 21.33000 0.00000 -2.30000 0.00000 -1.27000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_12.PDB 20.81000 -39.33000 -9.30000 -69.75000 -0.83000 86.49000 -90.48000 13.47000 33.17000 97.64000 0.00000 0.00000 0.00000 2.70000 21.12000 0.00000 -2.21000 0.00000 -0.76000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_13.PDB 22.89000 -38.04000 -9.63000 -68.24000 -0.63000 85.97000 -88.57000 13.38000 32.11000 97.28000 0.00000 0.00000 0.00000 2.24000 20.98000 0.00000 -2.19000 0.00000 -0.79000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_14.PDB 22.31000 -38.87000 -13.76000 -68.22000 -0.91000 86.83000 -88.17000 14.19000 34.95000 97.10000 0.00000 0.00000 0.00000 2.26000 21.01000 0.00000 -2.08000 0.00000 -1.03000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_15.PDB 21.44000 -38.87000 -12.26000 -69.34000 -0.90000 86.68000 -89.67000 14.13000 34.79000 97.82000 0.00000 0.00000 0.00000 2.48000 21.11000 0.00000 -2.52000 0.00000 -0.91000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_16.PDB 23.92000 -37.91000 -8.18000 -69.26000 -0.15000 85.96000 -89.32000 12.70000 33.55000 96.53000 0.00000 0.00000 0.00000 2.55000 21.12000 0.00000 -2.11000 0.00000 -0.45000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_17.PDB 19.73000 -39.61000 -14.21000 -69.28000 -1.21000 88.70000 -88.64000 12.90000 34.68000 97.15000 0.00000 0.00000 0.00000 2.47000 21.23000 0.00000 -2.34000 0.00000 -0.90000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_18.PDB 19.97000 -40.02000 -10.36000 -70.37000 -2.17000 88.29000 -91.12000 13.08000 35.87000 97.87000 0.00000 0.00000 0.00000 2.53000 21.24000 0.00000 -2.22000 0.00000 -1.42000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_19.PDB 20.73000 -39.64000 -13.05000 -68.84000 -0.43000 85.31000 -89.46000 14.77000 34.51000 97.86000 0.00000 0.00000 0.00000 2.12000 21.01000 0.00000 -2.04000 0.00000 -0.40000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_20.PDB 21.14000 -40.86000 -11.32000 -68.42000 -1.24000 85.86000 -88.35000 13.83000 34.58000 97.74000 0.00000 0.00000 0.00000 2.57000 21.07000 0.00000 -2.21000 0.00000 -1.03000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_21.PDB 21.73000 -39.27000 -12.94000 -68.00000 -0.22000 85.46000 -88.06000 14.98000 32.79000 97.22000 0.00000 0.00000 0.00000 2.36000 21.08000 0.00000 -2.08000 0.00000 -0.51000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_22.PDB 20.20000 -40.73000 -12.90000 -69.93000 -1.20000 87.84000 -90.04000 12.91000 36.42000 97.70000 0.00000 0.00000 0.00000 3.42000 21.25000 0.00000 -2.31000 0.00000 -0.98000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_23.PDB 21.53000 -40.42000 -11.62000 -69.65000 -0.72000 87.01000 -90.21000 15.47000 34.26000 97.73000 0.00000 0.00000 0.00000 2.40000 21.14000 0.00000 -2.04000 0.00000 -0.68000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_24.PDB 23.67000 -36.73000 -6.65000 -68.73000 0.10000 84.05000 -89.25000 12.31000 32.15000 96.35000 0.00000 0.00000 0.00000 2.45000 21.08000 0.00000 -2.24000 0.00000 -0.14000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_25.PDB 21.41000 -40.61000 -10.03000 -69.85000 -1.65000 87.04000 -90.45000 15.09000 34.12000 97.80000 0.00000 0.00000 0.00000 3.42000 21.16000 0.00000 -2.33000 0.00000 -1.15000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_26.PDB 21.01000 -39.05000 -10.93000 -70.07000 -0.97000 87.65000 -90.33000 13.12000 34.19000 97.41000 0.00000 0.00000 0.00000 2.98000 21.15000 0.00000 -2.25000 0.00000 -0.73000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_27.PDB 19.90000 -40.38000 -11.40000 -69.15000 -0.90000 86.01000 -89.47000 14.58000 33.62000 97.34000 0.00000 0.00000 0.00000 2.37000 21.23000 0.00000 -2.07000 0.00000 -0.65000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_28.PDB 22.84000 -38.33000 -9.18000 -67.40000 -0.29000 83.95000 -87.29000 12.58000 31.45000 97.18000 0.00000 0.00000 0.00000 2.60000 20.94000 0.00000 -1.93000 0.00000 -0.50000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_29.PDB 21.16000 -38.85000 -9.14000 -70.14000 -0.84000 87.00000 -91.15000 13.27000 33.82000 97.93000 0.00000 0.00000 0.00000 2.21000 21.22000 0.00000 -2.23000 0.00000 -0.71000 0.00000 0.00000 67.00000 BEM1-D2_1SEM-17_30.PDB 19.79000 -40.21000 -14.10000 -70.16000 -1.56000 88.15000 -90.23000 15.32000 36.52000 97.52000 0.00000 0.00000 0.00000 2.12000 21.27000 0.00000 -2.34000 0.00000 -1.24000 0.00000 0.00000 67.00000