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-11_1.PDB 19.01000 -42.80000 -11.96000 -67.45000 -1.27000 84.70000 -86.50000 13.19000 34.95000 96.44000 0.00000 0.00000 0.00000 3.30000 22.18000 0.00000 -2.22000 0.00000 -1.37000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_2.PDB 19.63000 -41.57000 -13.15000 -66.80000 -2.60000 84.47000 -85.42000 13.11000 35.46000 96.12000 0.00000 0.00000 0.00000 3.72000 22.07000 0.00000 -1.91000 0.00000 -1.79000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_3.PDB 20.22000 -41.73000 -12.66000 -67.79000 -1.31000 84.60000 -87.16000 13.07000 35.67000 97.16000 0.00000 0.00000 0.00000 3.72000 22.28000 0.00000 -1.98000 0.00000 -1.35000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_4.PDB 19.60000 -41.48000 -13.18000 -66.96000 -1.82000 84.75000 -85.50000 12.26000 35.12000 97.30000 0.00000 0.00000 0.00000 3.71000 22.05000 0.00000 -2.96000 0.00000 -1.64000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_5.PDB 19.52000 -42.41000 -14.96000 -66.86000 -1.25000 84.87000 -85.38000 12.26000 36.32000 97.26000 0.00000 0.00000 0.00000 3.90000 22.09000 0.00000 -2.58000 0.00000 -1.65000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_6.PDB 20.75000 -41.84000 -12.25000 -67.92000 -0.45000 84.97000 -87.72000 13.20000 35.57000 96.75000 0.00000 0.00000 0.00000 3.58000 22.35000 0.00000 -1.83000 0.00000 -1.31000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_7.PDB 20.27000 -42.34000 -13.16000 -66.54000 -1.27000 84.84000 -84.73000 12.04000 35.38000 96.72000 0.00000 0.00000 0.00000 3.75000 22.02000 0.00000 -2.81000 0.00000 -1.61000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_8.PDB 19.88000 -42.79000 -11.88000 -67.79000 -1.34000 85.50000 -86.73000 12.04000 35.96000 97.01000 0.00000 0.00000 0.00000 3.59000 22.26000 0.00000 -2.07000 0.00000 -1.62000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_9.PDB 19.59000 -42.47000 -13.28000 -68.02000 -1.21000 85.20000 -87.31000 13.29000 35.41000 97.94000 0.00000 0.00000 0.00000 3.56000 22.28000 0.00000 -2.12000 0.00000 -1.39000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_10.PDB 19.91000 -40.79000 -14.74000 -67.43000 -1.26000 85.46000 -86.30000 12.47000 35.89000 97.28000 0.00000 0.00000 0.00000 3.61000 22.09000 0.00000 -2.77000 0.00000 -1.51000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_11.PDB 18.10000 -42.76000 -13.18000 -68.07000 -1.20000 86.05000 -87.58000 13.13000 35.81000 96.70000 0.00000 0.00000 0.00000 3.37000 22.28000 0.00000 -2.75000 0.00000 -1.40000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_12.PDB 21.11000 -41.23000 -12.00000 -67.81000 -1.05000 85.78000 -87.14000 11.88000 35.26000 97.51000 0.00000 0.00000 0.00000 3.49000 22.28000 0.00000 -2.38000 0.00000 -1.19000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_13.PDB 18.14000 -42.32000 -13.10000 -67.46000 -1.48000 85.14000 -85.98000 11.99000 36.18000 96.04000 0.00000 0.00000 0.00000 3.74000 22.30000 0.00000 -2.64000 0.00000 -1.95000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_14.PDB 20.05000 -43.28000 -14.10000 -68.34000 -1.26000 86.55000 -87.74000 14.72000 36.49000 97.84000 0.00000 0.00000 0.00000 3.51000 22.35000 0.00000 -2.59000 0.00000 -1.74000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_15.PDB 20.41000 -43.29000 -14.08000 -67.68000 -1.15000 85.65000 -87.08000 13.97000 36.20000 98.02000 0.00000 0.00000 0.00000 3.67000 22.09000 0.00000 -2.28000 0.00000 -1.55000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_16.PDB 20.30000 -41.46000 -11.70000 -67.07000 -1.61000 84.40000 -85.76000 12.31000 34.91000 97.26000 0.00000 0.00000 0.00000 3.82000 22.25000 0.00000 -2.76000 0.00000 -2.03000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_17.PDB 14.69000 -40.83000 -11.37000 -68.40000 -1.32000 84.63000 -88.16000 11.19000 34.56000 94.87000 0.00000 0.00000 0.00000 3.17000 22.26000 0.00000 -2.38000 0.00000 -1.28000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_18.PDB 16.54000 -40.59000 -14.44000 -65.76000 -1.39000 82.50000 -84.53000 11.76000 34.73000 95.19000 0.00000 0.00000 0.00000 3.14000 21.64000 0.00000 -2.71000 0.00000 -1.37000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_19.PDB 19.04000 -42.38000 -11.95000 -67.75000 -0.59000 84.31000 -87.18000 13.25000 34.58000 96.36000 0.00000 0.00000 0.00000 3.20000 22.31000 0.00000 -2.04000 0.00000 -0.78000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_20.PDB 22.57000 -38.93000 -11.68000 -67.17000 -1.92000 85.40000 -85.79000 13.76000 33.57000 95.51000 0.00000 0.00000 0.00000 3.33000 21.97000 0.00000 -2.27000 0.00000 -1.26000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_21.PDB 16.75000 -39.29000 -13.39000 -68.32000 -1.61000 85.05000 -87.50000 11.53000 34.65000 95.89000 0.00000 0.00000 0.00000 3.43000 22.11000 0.00000 -2.00000 0.00000 -1.69000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_22.PDB 17.38000 -42.17000 -12.99000 -67.96000 -1.22000 84.09000 -87.90000 13.38000 35.39000 96.53000 0.00000 0.00000 0.00000 3.27000 22.07000 0.00000 -1.95000 0.00000 -1.11000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_23.PDB 20.24000 -42.27000 -12.30000 -68.38000 -0.73000 85.86000 -87.81000 13.23000 34.94000 97.16000 0.00000 0.00000 0.00000 3.41000 22.40000 0.00000 -2.00000 0.00000 -0.87000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_24.PDB 19.34000 -41.84000 -12.54000 -67.78000 -1.35000 85.26000 -87.07000 12.11000 35.58000 97.47000 0.00000 0.00000 0.00000 3.47000 22.22000 0.00000 -2.54000 0.00000 -1.41000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_25.PDB 19.61000 -41.83000 -12.97000 -66.52000 -0.71000 83.78000 -85.17000 12.03000 34.52000 96.56000 0.00000 0.00000 0.00000 3.55000 22.07000 0.00000 -2.77000 0.00000 -0.88000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_26.PDB 19.84000 -42.25000 -12.95000 -67.48000 -1.56000 85.43000 -86.06000 11.93000 36.44000 97.22000 0.00000 0.00000 0.00000 3.94000 22.17000 0.00000 -2.60000 0.00000 -2.22000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_27.PDB 20.04000 -40.91000 -13.03000 -66.94000 -2.36000 84.62000 -85.96000 13.46000 34.97000 96.25000 0.00000 0.00000 0.00000 3.59000 22.19000 0.00000 -1.88000 0.00000 -1.76000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_28.PDB 18.86000 -41.80000 -11.53000 -68.23000 -1.15000 85.02000 -87.95000 12.84000 35.42000 96.39000 0.00000 0.00000 0.00000 3.60000 22.40000 0.00000 -2.39000 0.00000 -1.36000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_29.PDB 20.02000 -40.92000 -14.08000 -68.57000 -2.76000 88.02000 -86.85000 12.10000 37.02000 97.29000 0.00000 0.00000 0.00000 3.98000 22.30000 0.00000 -2.55000 0.00000 -2.65000 0.00000 0.00000 65.00000 BEM1-D2_1SEM-11_30.PDB 18.65000 -41.96000 -12.94000 -67.19000 -1.24000 85.16000 -87.03000 12.59000 35.14000 96.22000 0.00000 0.00000 0.00000 3.33000 21.65000 0.00000 -2.04000 0.00000 -1.40000 0.00000 0.00000 65.00000