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-12_1.PDB 18.02000 -39.64000 -10.74000 -66.09000 -2.68000 83.46000 -85.06000 10.41000 33.02000 93.06000 0.00000 0.00000 0.00000 5.51000 21.88000 0.00000 -1.86000 0.00000 -1.38000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_2.PDB 17.39000 -38.95000 -10.93000 -64.28000 -0.43000 79.81000 -83.66000 10.31000 31.82000 93.10000 0.00000 0.00000 0.00000 3.40000 21.60000 0.00000 -2.40000 0.00000 -0.40000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_3.PDB 17.17000 -39.56000 -11.56000 -63.92000 -0.69000 79.86000 -83.00000 10.01000 32.13000 93.14000 0.00000 0.00000 0.00000 3.77000 21.69000 0.00000 -2.39000 0.00000 -0.63000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_4.PDB 18.10000 -39.14000 -10.97000 -63.34000 -0.72000 79.45000 -82.18000 10.05000 31.54000 92.59000 0.00000 0.00000 0.00000 3.14000 21.56000 0.00000 -1.91000 0.00000 -0.41000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_5.PDB 18.23000 -39.11000 -9.84000 -65.45000 -0.75000 81.16000 -84.69000 10.14000 32.68000 93.13000 0.00000 0.00000 0.00000 3.71000 21.73000 0.00000 -2.06000 0.00000 -0.70000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_6.PDB 18.01000 -39.68000 -13.37000 -66.48000 -1.82000 84.42000 -85.43000 11.17000 35.31000 93.28000 0.00000 0.00000 0.00000 3.85000 21.95000 0.00000 -1.99000 0.00000 -1.25000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_7.PDB 17.77000 -40.83000 -9.77000 -66.46000 -1.59000 83.90000 -85.66000 10.29000 33.32000 94.18000 0.00000 0.00000 0.00000 3.38000 21.79000 0.00000 -1.94000 0.00000 -1.03000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_8.PDB 18.69000 -42.60000 -11.58000 -66.16000 -1.56000 83.99000 -85.05000 11.56000 34.44000 95.10000 0.00000 0.00000 0.00000 3.50000 21.96000 0.00000 -1.75000 0.00000 -1.21000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_9.PDB 18.11000 -38.80000 -10.90000 -65.71000 -0.62000 82.14000 -85.18000 10.22000 32.46000 93.63000 0.00000 0.00000 0.00000 3.66000 21.88000 0.00000 -2.18000 0.00000 -0.60000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_10.PDB 19.49000 -39.11000 -7.93000 -64.85000 -1.01000 80.54000 -84.24000 10.03000 31.60000 92.88000 0.00000 0.00000 0.00000 4.29000 21.70000 0.00000 -2.16000 0.00000 -0.53000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_11.PDB 20.54000 -40.77000 -9.67000 -65.82000 -1.25000 82.71000 -84.90000 12.34000 32.76000 94.34000 0.00000 0.00000 0.00000 3.76000 21.71000 0.00000 -2.17000 0.00000 -0.79000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_12.PDB 20.67000 -40.38000 -9.28000 -66.10000 -1.85000 83.52000 -85.11000 10.65000 33.52000 95.06000 0.00000 0.00000 0.00000 3.68000 21.93000 0.00000 -1.98000 0.00000 -1.07000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_13.PDB 17.08000 -39.48000 -12.35000 -66.37000 -2.35000 83.91000 -85.39000 11.39000 33.41000 94.09000 0.00000 0.00000 0.00000 3.60000 21.88000 0.00000 -1.96000 0.00000 -1.40000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_14.PDB 18.37000 -38.38000 -10.43000 -65.35000 -0.22000 81.09000 -85.23000 10.15000 31.98000 93.90000 0.00000 0.00000 0.00000 3.58000 21.70000 0.00000 -2.11000 0.00000 -0.61000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_15.PDB 18.49000 -38.08000 -8.62000 -64.77000 -0.79000 79.26000 -84.45000 10.33000 30.95000 93.04000 0.00000 0.00000 0.00000 4.55000 21.51000 0.00000 -2.55000 0.00000 -0.38000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_16.PDB 17.99000 -41.26000 -11.77000 -65.81000 -0.75000 83.12000 -85.04000 10.57000 34.53000 94.26000 0.00000 0.00000 0.00000 3.46000 21.77000 0.00000 -2.40000 0.00000 -0.92000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_17.PDB 18.28000 -41.55000 -12.13000 -66.48000 -0.61000 84.34000 -85.82000 10.21000 34.78000 94.29000 0.00000 0.00000 0.00000 4.45000 21.82000 0.00000 -2.27000 0.00000 -0.95000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_18.PDB 19.92000 -39.07000 -7.86000 -64.95000 -0.74000 80.39000 -84.59000 10.37000 31.45000 93.68000 0.00000 0.00000 0.00000 3.78000 21.78000 0.00000 -1.98000 0.00000 -0.55000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_19.PDB 18.19000 -41.57000 -10.46000 -65.56000 -1.75000 83.32000 -84.25000 10.34000 33.34000 94.42000 0.00000 0.00000 0.00000 3.48000 21.82000 0.00000 -2.08000 0.00000 -1.07000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_20.PDB 20.16000 -42.54000 -11.53000 -66.49000 -1.37000 84.05000 -85.81000 14.02000 33.94000 95.53000 0.00000 0.00000 0.00000 3.36000 21.93000 0.00000 -1.96000 0.00000 -1.03000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_21.PDB 17.16000 -41.23000 -13.29000 -65.90000 -1.67000 83.19000 -84.69000 10.20000 34.09000 95.34000 0.00000 0.00000 0.00000 4.30000 21.85000 0.00000 -2.07000 0.00000 -1.11000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_22.PDB 19.72000 -41.17000 -10.07000 -65.79000 -1.20000 82.60000 -84.94000 10.65000 33.38000 94.36000 0.00000 0.00000 0.00000 4.78000 21.78000 0.00000 -2.01000 0.00000 -0.88000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_23.PDB 18.13000 -41.57000 -10.48000 -65.53000 -2.40000 83.17000 -84.39000 10.24000 33.52000 94.33000 0.00000 0.00000 0.00000 5.01000 21.63000 0.00000 -2.12000 0.00000 -1.65000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_24.PDB 20.70000 -39.90000 -9.29000 -65.55000 -1.54000 82.20000 -84.89000 11.33000 32.77000 94.12000 0.00000 0.00000 0.00000 4.45000 21.71000 0.00000 -1.90000 0.00000 -1.08000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_25.PDB 14.74000 -41.60000 -15.24000 -66.35000 -1.73000 84.26000 -85.30000 10.12000 35.57000 94.54000 0.00000 0.00000 0.00000 3.84000 21.87000 0.00000 -2.25000 0.00000 -1.12000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_26.PDB 17.62000 -41.87000 -12.42000 -65.80000 -1.32000 83.11000 -84.83000 11.35000 34.15000 94.55000 0.00000 0.00000 0.00000 3.58000 21.81000 0.00000 -1.89000 0.00000 -1.00000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_27.PDB 17.58000 -39.23000 -11.52000 -65.29000 -1.89000 82.10000 -84.25000 11.80000 33.49000 93.16000 0.00000 0.00000 0.00000 2.99000 21.55000 0.00000 -2.67000 0.00000 -1.11000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_28.PDB 19.37000 -40.50000 -9.32000 -64.30000 -0.41000 80.60000 -83.48000 10.28000 32.79000 92.76000 0.00000 0.00000 0.00000 3.11000 21.58000 0.00000 -1.78000 0.00000 -0.39000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_29.PDB 17.96000 -41.86000 -10.81000 -65.43000 -1.65000 84.04000 -84.16000 10.44000 33.71000 94.18000 0.00000 0.00000 0.00000 3.37000 21.71000 0.00000 -2.34000 0.00000 -1.53000 0.00000 0.00000 66.00000 BEM1-D2_1SEM-12_30.PDB 19.48000 -38.66000 -8.33000 -66.91000 -1.36000 82.81000 -86.60000 10.82000 32.67000 93.64000 0.00000 0.00000 0.00000 4.84000 21.86000 0.00000 -2.47000 0.00000 -0.97000 0.00000 0.00000 66.00000