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-17_1.PDB 3.85666 -9.55000 -0.68000 -2.37000 -9.97000 -1.87000 9.63000 -13.32000 2.31000 5.44000 2.93000 0.00000 0.00000 0.00000 0.13000 0.76000 0.00000 -0.81000 0.00000 -0.97000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_2.PDB 4.67502 -10.62000 -0.55000 -3.34000 -9.01000 -0.80000 7.71000 -12.55000 1.36000 5.11000 2.77000 0.00000 0.00000 0.00000 0.03000 0.66000 0.00000 -0.87000 0.00000 -0.46000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_3.PDB 4.77754 -12.33000 -0.62000 -4.17000 -9.88000 -2.04000 9.50000 -13.13000 1.58000 5.42000 2.86000 0.00000 0.00000 0.00000 0.12000 0.80000 0.00000 -0.94000 0.00000 -1.03000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_4.PDB 4.74148 -9.61000 -1.35000 -2.58000 -10.04000 -1.58000 9.36000 -13.19000 2.49000 5.65000 3.06000 0.00000 0.00000 0.00000 0.05000 0.68000 0.00000 -0.40000 0.00000 -1.07000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_5.PDB 5.41369 -10.34000 -0.60000 -4.82000 -9.37000 -2.15000 9.38000 -12.20000 1.48000 6.53000 2.79000 0.00000 0.00000 0.00000 0.28000 0.60000 0.00000 -0.29000 0.00000 -1.37000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_6.PDB 5.92706 -12.62000 -1.32000 -3.79000 -10.49000 -2.58000 10.55000 -13.34000 1.61000 6.43000 2.74000 0.00000 0.00000 0.00000 0.08000 0.78000 0.00000 -1.11000 0.00000 -1.40000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_7.PDB 4.65954 -9.89000 -0.64000 -3.33000 -9.49000 -2.14000 9.42000 -12.39000 1.69000 5.92000 2.80000 0.00000 0.00000 0.00000 0.24000 0.67000 0.00000 -0.55000 0.00000 -1.43000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_8.PDB 3.89102 -9.86000 -0.63000 -2.55000 -10.01000 -1.80000 9.74000 -13.22000 1.58000 5.43000 2.93000 0.00000 0.00000 0.00000 0.05000 0.64000 0.00000 -0.37000 0.00000 -1.02000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_9.PDB 4.99028 -13.73000 -1.39000 -5.09000 -10.55000 -2.62000 10.48000 -13.42000 1.46000 6.34000 3.40000 0.00000 0.00000 0.00000 0.09000 0.81000 0.00000 -0.93000 0.00000 -1.50000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_10.PDB 4.43966 -8.74000 -0.71000 -1.50000 -10.17000 -1.80000 9.48000 -13.82000 3.16000 5.09000 2.69000 0.00000 0.00000 0.00000 0.05000 0.70000 0.00000 -0.22000 0.00000 -0.99000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_11.PDB 4.47004 -8.83000 -0.67000 -3.41000 -10.07000 -2.73000 10.19000 -12.89000 3.90000 6.07000 3.04000 0.00000 0.00000 0.00000 0.03000 0.63000 0.00000 -0.59000 0.00000 -1.69000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_12.PDB 4.24801 -11.73000 -0.65000 -4.21000 -9.97000 -1.97000 9.51000 -13.11000 1.50000 6.17000 2.93000 0.00000 0.00000 0.00000 0.10000 0.74000 0.00000 -1.04000 0.00000 -0.98000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_13.PDB 6.24626 -13.77000 -2.30000 -5.76000 -10.53000 -2.53000 11.27000 -13.37000 1.47000 7.35000 2.84000 0.00000 0.00000 0.00000 0.10000 0.80000 0.00000 -0.92000 0.00000 -1.38000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_14.PDB 3.57185 -7.73000 -0.63000 -0.64000 -9.74000 -0.84000 8.39000 -13.70000 2.56000 4.58000 3.05000 0.00000 0.00000 0.00000 0.03000 0.66000 0.00000 -0.23000 0.00000 -0.57000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_15.PDB 6.12895 -10.98000 -1.43000 -4.65000 -10.05000 -2.06000 10.51000 -13.12000 1.60000 6.50000 3.12000 0.00000 0.00000 0.00000 0.29000 0.65000 0.00000 -0.47000 0.00000 -1.24000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_16.PDB 4.88307 -9.07000 -0.48000 -1.29000 -9.53000 -1.47000 8.40000 -13.04000 1.55000 5.13000 2.76000 0.00000 0.00000 0.00000 0.06000 0.70000 0.00000 -0.25000 0.00000 -0.88000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_17.PDB 4.70674 -7.80000 -0.57000 -1.48000 -9.35000 -1.15000 8.75000 -12.64000 1.55000 4.93000 3.29000 0.00000 0.00000 0.00000 0.05000 0.65000 0.00000 -0.45000 0.00000 -0.74000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_18.PDB 3.22855 -10.06000 -0.57000 -3.25000 -9.22000 -0.64000 7.78000 -12.89000 2.24000 4.69000 2.93000 0.00000 0.00000 0.00000 0.04000 0.58000 0.00000 -0.69000 0.00000 -0.51000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_19.PDB 6.62662 -11.01000 -1.25000 -5.71000 -9.64000 -2.16000 10.27000 -12.22000 1.49000 7.93000 2.87000 0.00000 0.00000 0.00000 0.06000 0.55000 0.00000 -1.09000 0.00000 -1.58000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_20.PDB 3.81925 -6.66000 -0.63000 -1.69000 -8.64000 -0.65000 7.92000 -11.81000 2.45000 4.29000 2.88000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.44000 0.00000 -0.38000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_21.PDB 5.07976 -11.08000 -1.35000 -3.62000 -10.17000 -2.76000 10.58000 -12.55000 1.52000 6.15000 2.91000 0.00000 0.00000 0.00000 0.07000 0.68000 0.00000 -0.24000 0.00000 -1.61000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_22.PDB 5.37462 -7.95000 -1.40000 -1.40000 -10.20000 -1.17000 9.93000 -13.53000 2.60000 4.86000 3.58000 0.00000 0.00000 0.00000 0.04000 0.51000 0.00000 -0.50000 0.00000 -0.77000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_23.PDB 3.74719 -7.56000 -0.60000 -1.92000 -8.58000 -0.71000 7.83000 -11.78000 1.70000 4.41000 2.83000 0.00000 0.00000 0.00000 0.01000 0.63000 0.00000 -0.30000 0.00000 -0.44000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_24.PDB 6.48482 -10.60000 -1.37000 -1.90000 -10.65000 -2.26000 10.46000 -13.65000 1.79000 5.94000 3.06000 0.00000 0.00000 0.00000 0.16000 0.85000 0.00000 -0.85000 0.00000 -1.33000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_25.PDB 5.00398 -12.57000 -1.42000 -5.07000 -10.50000 -3.58000 11.62000 -12.74000 2.71000 6.88000 2.85000 0.00000 0.00000 0.00000 0.11000 0.72000 0.00000 -1.19000 0.00000 -2.23000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_26.PDB 5.65907 -11.80000 -1.35000 -2.48000 -10.60000 -2.72000 10.86000 -13.29000 1.40000 5.86000 2.80000 0.00000 0.00000 0.00000 0.07000 0.79000 0.00000 -0.84000 0.00000 -1.52000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_27.PDB 4.41803 -9.52000 -0.45000 -2.16000 -8.83000 -1.57000 7.49000 -11.89000 1.84000 4.74000 2.81000 0.00000 0.00000 0.00000 0.05000 0.66000 0.00000 -0.46000 0.00000 -1.08000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_28.PDB 5.44773 -10.80000 -1.31000 -2.58000 -10.78000 -2.46000 10.43000 -13.83000 1.78000 7.06000 2.86000 0.00000 0.00000 0.00000 0.09000 0.84000 0.00000 -0.69000 0.00000 -1.37000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_29.PDB 3.86774 -8.93000 -0.64000 -3.33000 -8.54000 -0.59000 7.58000 -11.74000 2.32000 4.07000 2.86000 0.00000 0.00000 0.00000 0.01000 0.57000 0.00000 -0.62000 0.00000 -0.30000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-17_30.PDB 5.76583 -11.19000 -2.09000 -5.82000 -9.25000 -1.73000 9.55000 -11.91000 1.22000 7.50000 2.84000 0.00000 0.00000 0.00000 0.05000 0.56000 0.00000 -0.24000 0.00000 -1.32000 0.00000 2.38000 67.00000