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-18_1.PDB 6.53046 -6.99000 -1.59000 -1.54000 -9.78000 -1.26000 8.07000 -13.84000 5.71000 6.03000 2.70000 0.00000 0.00000 0.00000 0.12000 0.96000 0.00000 -0.53000 0.00000 -1.07000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_2.PDB 6.59114 -5.80000 -0.95000 -0.88000 -9.58000 -0.85000 7.32000 -13.79000 4.94000 5.87000 2.91000 0.00000 0.00000 0.00000 0.57000 0.94000 0.00000 -0.53000 0.00000 -0.83000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_3.PDB 6.65108 -6.05000 -0.95000 -0.88000 -9.33000 -0.35000 6.81000 -13.75000 4.93000 4.98000 2.78000 0.00000 0.00000 0.00000 0.60000 0.99000 0.00000 -0.57000 0.00000 -0.30000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_4.PDB 6.73200 -6.35000 -0.94000 -0.88000 -9.33000 -0.99000 7.02000 -13.56000 4.90000 5.72000 2.75000 0.00000 0.00000 0.00000 0.60000 0.94000 0.00000 -0.58000 0.00000 -1.06000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_5.PDB 6.60256 -6.77000 -0.96000 -0.88000 -9.35000 -1.22000 6.84000 -13.66000 5.33000 6.03000 2.53000 0.00000 0.00000 0.00000 0.11000 0.77000 0.00000 -0.34000 0.00000 -1.19000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_6.PDB 6.45827 -5.96000 -0.94000 -0.88000 -9.47000 -0.92000 7.31000 -13.80000 5.23000 5.30000 2.98000 0.00000 0.00000 0.00000 0.62000 0.91000 0.00000 -0.51000 0.00000 -0.88000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_7.PDB 6.23638 -6.64000 -0.95000 -0.88000 -9.89000 -0.33000 7.17000 -14.56000 4.75000 5.61000 3.02000 0.00000 0.00000 0.00000 0.32000 0.93000 0.00000 -0.57000 0.00000 -0.34000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_8.PDB 6.78512 -6.14000 -1.00000 -0.87000 -9.85000 -0.70000 6.88000 -14.12000 5.68000 5.77000 3.07000 0.00000 0.00000 0.00000 0.12000 1.00000 0.00000 -0.38000 0.00000 -0.74000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_9.PDB 6.93497 -6.42000 -0.94000 -0.86000 -9.77000 -1.12000 7.51000 -13.97000 5.04000 6.09000 2.82000 0.00000 0.00000 0.00000 0.64000 0.96000 0.00000 -0.68000 0.00000 -1.18000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_10.PDB 6.61640 -5.96000 -0.97000 -0.88000 -9.82000 -1.00000 7.46000 -14.22000 5.42000 6.33000 3.03000 0.00000 0.00000 0.00000 0.13000 0.79000 0.00000 -0.39000 0.00000 -1.04000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_11.PDB 6.67106 -6.50000 -0.97000 -0.88000 -9.33000 -0.78000 6.87000 -13.64000 5.14000 5.69000 2.58000 0.00000 0.00000 0.00000 0.12000 0.76000 0.00000 -0.48000 0.00000 -0.82000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_12.PDB 6.35594 -6.59000 -0.95000 -0.86000 -9.45000 -0.38000 6.67000 -14.06000 5.08000 5.42000 2.72000 0.00000 0.00000 0.00000 0.18000 0.82000 0.00000 -0.56000 0.00000 -0.41000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_13.PDB 6.51936 -6.72000 -0.87000 -0.78000 -9.51000 -0.50000 6.71000 -14.15000 5.03000 5.45000 2.71000 0.00000 0.00000 0.00000 0.11000 0.85000 0.00000 -0.35000 0.00000 -0.59000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_14.PDB 6.29241 -7.29000 -1.69000 -1.64000 -10.24000 -1.17000 8.83000 -14.36000 5.36000 5.95000 2.84000 0.00000 0.00000 0.00000 0.17000 0.87000 0.00000 -0.32000 0.00000 -1.02000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_15.PDB 6.53330 -6.24000 -0.92000 -0.87000 -9.55000 -0.89000 7.10000 -13.90000 5.18000 5.74000 2.93000 0.00000 0.00000 0.00000 0.57000 0.95000 0.00000 -0.61000 0.00000 -1.00000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_16.PDB 6.72463 -5.93000 -0.88000 -0.85000 -9.90000 -1.17000 7.44000 -13.99000 5.23000 6.42000 2.79000 0.00000 0.00000 0.00000 0.62000 0.91000 0.00000 -0.53000 0.00000 -1.10000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_17.PDB 6.28283 -6.03000 -0.94000 -0.87000 -9.25000 -1.01000 7.02000 -13.47000 5.75000 5.39000 2.89000 0.00000 0.00000 0.00000 0.12000 0.74000 0.00000 -0.55000 0.00000 -1.10000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_18.PDB 5.74576 -4.99000 -0.95000 -0.88000 -9.92000 -0.96000 7.60000 -14.30000 6.56000 6.26000 2.85000 0.00000 0.00000 0.00000 0.13000 0.84000 0.00000 -0.39000 0.00000 -1.00000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_19.PDB 6.78176 -6.66000 -0.97000 -0.87000 -9.35000 -0.98000 7.21000 -13.68000 5.11000 5.37000 2.83000 0.00000 0.00000 0.00000 0.13000 0.70000 0.00000 -0.48000 0.00000 -0.98000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_20.PDB 6.96703 -6.47000 -0.87000 -0.78000 -10.17000 -0.33000 6.93000 -14.92000 5.74000 5.72000 2.82000 0.00000 0.00000 0.00000 0.14000 1.10000 0.00000 -0.41000 0.00000 -0.35000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_21.PDB 6.36032 -7.66000 -1.69000 -1.64000 -10.38000 -0.80000 8.38000 -14.83000 5.47000 5.89000 2.78000 0.00000 0.00000 0.00000 0.17000 1.04000 0.00000 -0.28000 0.00000 -0.74000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_22.PDB 7.46729 -6.38000 -0.97000 -0.88000 -9.95000 -1.06000 7.46000 -14.10000 5.66000 6.31000 2.64000 0.00000 0.00000 0.00000 0.13000 1.03000 0.00000 -0.43000 0.00000 -1.19000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_23.PDB 6.72238 -6.09000 -0.96000 -0.88000 -9.47000 -0.34000 6.87000 -14.01000 4.94000 5.10000 2.86000 0.00000 0.00000 0.00000 0.71000 1.01000 0.00000 -0.62000 0.00000 -0.29000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_24.PDB 7.00174 -6.22000 -0.92000 -0.83000 -9.77000 -0.30000 7.15000 -14.39000 5.27000 5.45000 2.74000 0.00000 0.00000 0.00000 0.12000 0.85000 0.00000 -0.43000 0.00000 -0.33000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_25.PDB 7.00423 -6.17000 -0.96000 -0.88000 -9.87000 -0.84000 7.36000 -14.08000 5.12000 6.02000 2.86000 0.00000 0.00000 0.00000 0.64000 1.19000 0.00000 -0.63000 0.00000 -0.90000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_26.PDB 3.56869 -5.81000 -0.96000 -2.47000 -9.29000 -0.60000 7.23000 -13.43000 6.33000 5.41000 3.11000 0.00000 0.00000 0.00000 0.09000 0.79000 0.00000 -0.63000 0.00000 -0.61000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_27.PDB 6.47105 -7.47000 -1.71000 -1.66000 -10.28000 -1.66000 8.87000 -14.37000 5.36000 6.83000 2.80000 0.00000 0.00000 0.00000 0.17000 0.92000 0.00000 -0.28000 0.00000 -1.54000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_28.PDB 6.40563 -6.64000 -0.90000 -0.82000 -9.46000 -0.94000 6.95000 -13.87000 5.31000 5.81000 2.62000 0.00000 0.00000 0.00000 0.12000 0.81000 0.00000 -0.43000 0.00000 -1.02000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_29.PDB 6.74779 -6.17000 -0.95000 -0.88000 -10.06000 -0.92000 7.74000 -14.32000 5.28000 5.77000 3.01000 0.00000 0.00000 0.00000 0.63000 1.14000 0.00000 -0.62000 0.00000 -0.86000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-18_30.PDB 6.31371 -7.31000 -1.65000 -1.60000 -10.06000 -1.27000 8.74000 -14.10000 5.45000 5.95000 2.85000 0.00000 0.00000 0.00000 0.13000 0.84000 0.00000 -0.51000 0.00000 -1.24000 0.00000 2.38000 68.00000