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_1GCQ-21_1.PDB 7.05535 -8.83000 -1.24000 -1.36000 -6.25000 -0.28000 4.04000 -9.53000 0.68000 4.54000 1.02000 0.00000 0.00000 0.00000 0.44000 0.66000 0.00000 -0.44000 0.00000 -0.44000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_2.PDB 8.60257 -6.83000 -1.51000 -1.59000 -6.45000 -0.17000 5.52000 -9.45000 0.99000 4.83000 1.14000 0.00000 0.00000 0.00000 0.70000 0.92000 0.00000 -0.49000 0.00000 -0.36000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_3.PDB 6.65361 -7.14000 -0.40000 -0.50000 -6.04000 -0.15000 3.99000 -8.96000 0.83000 3.56000 0.99000 0.00000 0.00000 0.00000 0.27000 0.82000 0.00000 -0.40000 0.00000 -0.32000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_4.PDB 6.84894 -8.09000 -2.05000 -2.10000 -6.68000 -0.45000 5.11000 -9.94000 1.34000 5.78000 1.78000 0.00000 0.00000 0.00000 0.47000 0.82000 0.00000 -0.66000 0.00000 -0.69000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_5.PDB 7.33575 -7.57000 -1.46000 -1.46000 -6.88000 -0.13000 5.68000 -10.08000 1.16000 4.83000 0.74000 0.00000 0.00000 0.00000 0.88000 1.07000 0.00000 -0.54000 0.00000 -0.30000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_6.PDB 7.07108 -9.03000 -1.95000 -1.76000 -6.57000 -0.80000 4.76000 -9.58000 0.95000 5.80000 1.01000 0.00000 0.00000 0.00000 0.34000 0.67000 0.00000 -0.30000 0.00000 -0.92000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_7.PDB 6.46263 -6.98000 -1.42000 -1.44000 -6.79000 -0.17000 5.64000 -9.84000 0.89000 4.92000 1.94000 0.00000 0.00000 0.00000 0.29000 0.99000 0.00000 -0.65000 0.00000 -0.35000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_8.PDB 5.58965 -7.74000 -1.31000 -2.40000 -6.56000 -0.12000 5.25000 -9.68000 0.75000 5.18000 1.10000 0.00000 0.00000 0.00000 0.71000 0.88000 0.00000 -0.29000 0.00000 -0.37000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_9.PDB 7.47774 -8.65000 -1.37000 -1.41000 -6.58000 -0.45000 4.77000 -9.75000 0.99000 5.04000 1.02000 0.00000 0.00000 0.00000 0.34000 0.70000 0.00000 -0.59000 0.00000 -0.66000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_10.PDB 5.39209 -9.44000 -2.20000 -2.15000 -7.03000 -0.17000 5.23000 -10.32000 0.59000 5.93000 0.84000 0.00000 0.00000 0.00000 0.65000 0.79000 0.00000 -0.45000 0.00000 -0.36000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_11.PDB 6.13837 -7.22000 -1.22000 -1.30000 -6.39000 -0.00000 4.81000 -9.59000 1.46000 4.36000 0.44000 0.00000 0.00000 0.00000 0.59000 0.75000 0.00000 -0.26000 0.00000 -0.13000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_12.PDB 6.82687 -6.99000 -1.41000 -1.41000 -6.24000 -0.29000 5.34000 -8.99000 1.03000 4.39000 1.10000 0.00000 0.00000 0.00000 0.32000 0.82000 0.00000 -0.51000 0.00000 -0.34000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_13.PDB 6.35413 -8.63000 -2.20000 -2.29000 -6.95000 -0.74000 5.99000 -9.65000 0.78000 6.16000 1.12000 0.00000 0.00000 0.00000 0.67000 0.85000 0.00000 -0.50000 0.00000 -1.02000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_14.PDB 7.70145 -6.54000 -1.46000 -1.53000 -6.33000 -1.33000 6.44000 -8.63000 1.18000 4.90000 1.79000 0.00000 0.00000 0.00000 0.25000 1.11000 0.00000 -0.65000 0.00000 -1.17000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_15.PDB 7.48107 -8.13000 -2.26000 -2.33000 -6.52000 -1.20000 6.08000 -8.80000 0.73000 6.31000 1.32000 0.00000 0.00000 0.00000 0.25000 0.83000 0.00000 -0.48000 0.00000 -1.24000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_16.PDB 6.38092 -7.03000 -1.37000 -1.44000 -6.39000 -0.48000 5.90000 -8.72000 0.84000 4.67000 0.93000 0.00000 0.00000 0.00000 0.35000 0.98000 0.00000 -0.62000 0.00000 -0.70000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_17.PDB 6.22920 -8.60000 -1.22000 -1.36000 -6.07000 -0.41000 4.07000 -9.19000 0.70000 4.28000 1.18000 0.00000 0.00000 0.00000 0.44000 0.61000 0.00000 -0.39000 0.00000 -0.62000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_18.PDB 5.42520 -7.91000 -2.83000 -3.00000 -7.00000 -0.71000 6.48000 -9.78000 1.08000 7.31000 1.51000 0.00000 0.00000 0.00000 0.39000 0.91000 0.00000 -0.45000 0.00000 -0.90000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_19.PDB 6.74876 -7.70000 -1.36000 -1.44000 -6.20000 -0.52000 5.35000 -9.28000 0.81000 4.56000 1.17000 0.00000 0.00000 0.00000 0.56000 0.62000 0.00000 -0.69000 0.00000 -0.67000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_20.PDB 6.93469 -9.21000 -3.15000 -3.08000 -6.92000 -0.68000 5.87000 -10.05000 1.74000 7.00000 1.11000 0.00000 0.00000 0.00000 0.32000 0.74000 0.00000 -0.50000 0.00000 -0.87000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_21.PDB 6.67187 -9.32000 -2.06000 -2.15000 -6.35000 -0.35000 4.44000 -9.44000 0.62000 5.27000 1.44000 0.00000 0.00000 0.00000 0.25000 0.60000 0.00000 -0.47000 0.00000 -0.53000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_22.PDB 5.55223 -6.06000 -0.43000 -0.57000 -6.43000 -0.27000 5.10000 -9.07000 1.51000 3.88000 0.71000 0.00000 0.00000 0.00000 0.34000 0.89000 0.00000 -0.34000 0.00000 -0.48000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_23.PDB 7.30432 -9.62000 -3.07000 -3.04000 -6.54000 -1.03000 5.95000 -9.32000 0.66000 6.96000 1.04000 0.00000 0.00000 0.00000 0.51000 0.63000 0.00000 -0.61000 0.00000 -1.13000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_24.PDB 6.87526 -6.58000 -0.96000 -1.07000 -5.85000 -0.06000 4.79000 -8.68000 0.73000 3.46000 1.12000 0.00000 0.00000 0.00000 0.47000 0.77000 0.00000 -0.31000 0.00000 -0.20000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_25.PDB 6.94399 -7.75000 -1.36000 -1.48000 -5.92000 -0.22000 4.81000 -8.61000 0.69000 4.11000 0.94000 0.00000 0.00000 0.00000 0.26000 0.69000 0.00000 -0.59000 0.00000 -0.37000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_26.PDB 5.34708 -8.64000 -2.00000 -2.13000 -6.26000 -0.22000 4.69000 -9.44000 0.63000 5.23000 1.35000 0.00000 0.00000 0.00000 0.35000 0.64000 0.00000 -0.46000 0.00000 -0.38000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_27.PDB 8.12304 -8.13000 -1.52000 -2.13000 -5.98000 -0.66000 5.29000 -8.53000 0.78000 4.70000 0.91000 0.00000 0.00000 0.00000 0.26000 0.67000 0.00000 -0.60000 0.00000 -0.68000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_28.PDB 7.56115 -9.17000 -2.21000 -2.75000 -6.46000 -0.96000 5.48000 -9.50000 0.84000 6.25000 1.26000 0.00000 0.00000 0.00000 0.48000 0.61000 0.00000 -0.57000 0.00000 -1.03000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_29.PDB 7.33048 -8.48000 -2.02000 -2.08000 -6.74000 -0.62000 5.13000 -10.19000 0.86000 5.98000 1.85000 0.00000 0.00000 0.00000 0.62000 0.79000 0.00000 -0.37000 0.00000 -0.89000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-21_30.PDB 6.35635 -7.96000 -1.30000 -1.46000 -6.20000 -0.38000 4.06000 -9.13000 1.22000 4.39000 0.91000 0.00000 0.00000 0.00000 0.60000 0.61000 0.00000 -0.20000 0.00000 -0.48000 0.00000 2.38000 68.00000