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-20_1.PDB 3.95728 -10.41000 -0.57000 -0.64000 -9.61000 -1.03000 8.02000 -13.78000 0.97000 3.78000 3.21000 0.00000 0.00000 0.00000 0.10000 0.73000 0.00000 -0.34000 0.00000 -0.52000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_2.PDB 3.54704 -10.45000 -0.57000 -0.61000 -9.48000 -0.95000 7.66000 -13.67000 0.52000 3.77000 3.45000 0.00000 0.00000 0.00000 0.10000 0.52000 0.00000 -0.22000 0.00000 -0.46000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_3.PDB 3.32366 -11.01000 -0.57000 -0.63000 -9.71000 -0.64000 7.31000 -14.27000 1.39000 3.53000 3.18000 0.00000 0.00000 0.00000 0.03000 0.60000 0.00000 -0.33000 0.00000 -0.28000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_4.PDB 3.12894 -7.13000 -0.63000 -0.63000 -9.99000 -0.81000 7.76000 -14.50000 5.23000 3.92000 3.20000 0.00000 0.00000 0.00000 0.03000 0.51000 0.00000 -0.34000 0.00000 -0.37000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_5.PDB 3.19359 -11.70000 -0.61000 -0.58000 -10.13000 -0.76000 7.80000 -14.82000 0.70000 4.06000 3.33000 0.00000 0.00000 0.00000 0.02000 0.55000 0.00000 -0.34000 0.00000 -0.36000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_6.PDB 4.19220 -11.26000 -0.62000 -1.89000 -10.06000 -0.83000 8.34000 -14.50000 1.01000 4.72000 3.22000 0.00000 0.00000 0.00000 0.03000 0.57000 0.00000 -0.20000 0.00000 -0.47000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_7.PDB 4.03457 -11.13000 -0.60000 -2.35000 -9.54000 -0.83000 7.68000 -13.78000 1.33000 4.22000 3.35000 0.00000 0.00000 0.00000 0.13000 0.62000 0.00000 -0.35000 0.00000 -0.39000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_8.PDB 3.36617 -11.46000 -0.62000 -1.83000 -9.58000 -0.66000 7.47000 -13.97000 1.35000 4.00000 3.04000 0.00000 0.00000 0.00000 0.03000 0.57000 0.00000 -0.44000 0.00000 -0.25000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_9.PDB 3.86064 -9.65000 -0.60000 -0.69000 -9.47000 -1.01000 8.23000 -13.46000 0.77000 3.69000 3.68000 0.00000 0.00000 0.00000 0.08000 0.97000 0.00000 -0.42000 0.00000 -0.44000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_10.PDB 3.91285 -9.84000 -0.57000 -0.65000 -9.48000 -0.84000 8.04000 -13.56000 0.79000 3.36000 3.66000 0.00000 0.00000 0.00000 0.10000 0.94000 0.00000 -0.40000 0.00000 -0.28000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_11.PDB 3.76823 -11.52000 -0.60000 -1.92000 -9.59000 -0.80000 7.50000 -13.98000 1.34000 4.28000 3.05000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.36000 0.00000 -0.47000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_12.PDB 4.29679 -9.09000 -0.61000 -0.68000 -9.51000 -0.96000 8.38000 -13.45000 1.06000 3.62000 3.67000 0.00000 0.00000 0.00000 0.13000 0.84000 0.00000 -0.35000 0.00000 -0.39000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_13.PDB 3.78142 -11.40000 -0.62000 -2.42000 -9.05000 -0.80000 7.37000 -13.09000 0.65000 3.92000 3.28000 0.00000 0.00000 0.00000 0.14000 0.61000 0.00000 -0.35000 0.00000 -0.43000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_14.PDB 3.81231 -9.82000 -0.60000 -0.60000 -9.02000 -1.05000 7.80000 -12.93000 0.78000 3.29000 3.33000 0.00000 0.00000 0.00000 0.07000 0.62000 0.00000 -0.41000 0.00000 -0.49000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_15.PDB 4.55879 -9.88000 -0.59000 -0.61000 -9.16000 -1.08000 7.67000 -13.26000 0.88000 3.56000 3.37000 0.00000 0.00000 0.00000 0.16000 0.60000 0.00000 -0.36000 0.00000 -0.47000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_16.PDB 4.58199 -9.92000 -0.59000 -0.57000 -9.32000 -1.16000 7.91000 -13.44000 0.79000 3.75000 3.48000 0.00000 0.00000 0.00000 0.16000 0.62000 0.00000 -0.36000 0.00000 -0.55000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_17.PDB 3.53420 -10.30000 -0.60000 -0.68000 -9.55000 -0.76000 7.77000 -13.76000 0.58000 3.67000 3.64000 0.00000 0.00000 0.00000 0.10000 0.87000 0.00000 -0.41000 0.00000 -0.30000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_18.PDB 3.89132 -9.54000 -0.61000 -0.67000 -9.93000 -1.11000 8.78000 -14.19000 0.81000 4.24000 3.77000 0.00000 0.00000 0.00000 0.11000 0.91000 0.00000 -0.29000 0.00000 -0.45000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_19.PDB 4.28431 -11.42000 -0.56000 -0.58000 -9.94000 -0.90000 7.90000 -14.52000 0.64000 3.97000 3.29000 0.00000 0.00000 0.00000 0.03000 0.60000 0.00000 -0.34000 0.00000 -0.41000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_20.PDB 5.88168 -8.86000 -0.38000 -0.47000 -8.75000 -1.09000 7.51000 -12.59000 0.74000 3.12000 3.71000 0.00000 0.00000 0.00000 0.20000 0.60000 0.00000 -0.36000 0.00000 -0.51000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_21.PDB 3.86765 -10.61000 -0.62000 -1.84000 -10.06000 -0.76000 8.58000 -14.33000 1.07000 4.60000 3.46000 0.00000 0.00000 0.00000 0.08000 0.90000 0.00000 -0.37000 0.00000 -0.41000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_22.PDB 3.35858 -10.85000 -0.63000 -2.23000 -9.81000 -0.95000 8.47000 -13.95000 1.00000 4.63000 3.47000 0.00000 0.00000 0.00000 0.05000 0.74000 0.00000 -0.35000 0.00000 -0.54000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_23.PDB 4.33771 -10.10000 -0.60000 -2.16000 -8.95000 -0.73000 7.65000 -12.74000 0.87000 3.65000 3.52000 0.00000 0.00000 0.00000 0.10000 0.98000 0.00000 -0.37000 0.00000 -0.34000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_24.PDB 3.79781 -11.84000 -0.60000 -2.28000 -9.22000 -0.83000 7.39000 -13.50000 0.74000 4.07000 3.12000 0.00000 0.00000 0.00000 0.06000 0.59000 0.00000 -0.33000 0.00000 -0.45000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_25.PDB 3.87796 -9.05000 -0.61000 -2.19000 -9.58000 -0.63000 7.35000 -14.12000 4.38000 3.87000 3.11000 0.00000 0.00000 0.00000 0.03000 0.58000 0.00000 -0.29000 0.00000 -0.36000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_26.PDB 3.73574 -11.00000 -0.60000 -2.09000 -9.38000 -0.98000 7.76000 -13.63000 1.19000 4.21000 3.40000 0.00000 0.00000 0.00000 0.06000 0.60000 0.00000 -0.36000 0.00000 -0.59000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_27.PDB 3.75607 -9.99000 -0.61000 -2.40000 -9.42000 -1.01000 8.62000 -13.26000 0.86000 4.38000 3.43000 0.00000 0.00000 0.00000 0.15000 0.95000 0.00000 -0.31000 0.00000 -0.42000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_28.PDB 4.13287 -10.03000 -0.57000 -2.20000 -9.36000 -1.04000 8.43000 -13.27000 0.82000 4.27000 3.59000 0.00000 0.00000 0.00000 0.16000 0.89000 0.00000 -0.36000 0.00000 -0.50000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_29.PDB 4.14411 -8.79000 -0.61000 -0.61000 -9.18000 -1.05000 8.16000 -13.03000 0.77000 3.38000 3.94000 0.00000 0.00000 0.00000 0.22000 0.82000 0.00000 -0.38000 0.00000 -0.41000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-20_30.PDB 4.15629 -10.48000 -0.63000 -0.63000 -9.98000 -0.77000 8.30000 -14.46000 0.87000 3.72000 3.66000 0.00000 0.00000 0.00000 0.07000 0.83000 0.00000 -0.34000 0.00000 -0.29000 0.00000 2.38000 67.00000