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-28_1.PDB 5.12670 -12.04000 -1.94000 -2.11000 -10.86000 -1.56000 9.36000 -15.05000 2.96000 6.65000 2.14000 0.00000 0.00000 0.00000 0.39000 1.88000 0.00000 -1.01000 0.00000 -1.02000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_2.PDB 5.45601 -12.15000 -2.06000 -2.60000 -10.90000 -1.97000 9.68000 -15.11000 3.23000 6.92000 2.59000 0.00000 0.00000 0.00000 0.43000 2.09000 0.00000 -1.25000 0.00000 -1.10000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_3.PDB 5.27971 -11.91000 -1.98000 -2.40000 -10.83000 -1.68000 9.36000 -15.16000 2.82000 6.79000 2.54000 0.00000 0.00000 0.00000 0.55000 2.02000 0.00000 -0.82000 0.00000 -1.11000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_4.PDB 5.87748 -10.23000 -1.40000 -1.58000 -11.14000 -1.87000 9.57000 -15.17000 4.48000 6.48000 2.11000 0.00000 0.00000 0.00000 0.38000 1.93000 0.00000 -0.91000 0.00000 -1.19000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_5.PDB 5.28013 -10.62000 -1.38000 -2.68000 -10.97000 -2.14000 9.80000 -14.97000 4.13000 7.00000 2.40000 0.00000 0.00000 0.00000 0.27000 1.99000 0.00000 -0.79000 0.00000 -1.30000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_6.PDB 5.40374 -10.20000 -1.41000 -1.59000 -10.66000 -1.59000 9.11000 -14.46000 4.13000 5.92000 1.81000 0.00000 0.00000 0.00000 0.27000 1.92000 0.00000 -0.73000 0.00000 -0.99000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_7.PDB 5.26789 -11.49000 -1.44000 -1.57000 -10.75000 -1.60000 9.17000 -14.93000 2.91000 6.18000 2.17000 0.00000 0.00000 0.00000 0.33000 1.75000 0.00000 -0.93000 0.00000 -1.03000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_8.PDB 5.33525 -14.36000 -1.16000 -1.78000 -11.78000 -1.49000 9.13000 -17.01000 2.82000 6.32000 1.83000 0.00000 0.00000 0.00000 0.46000 1.76000 0.00000 -0.78000 0.00000 -0.91000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_9.PDB 5.33219 -14.28000 -1.19000 -1.79000 -11.54000 -1.58000 9.00000 -16.65000 2.97000 6.21000 1.84000 0.00000 0.00000 0.00000 0.43000 1.89000 0.00000 -1.03000 0.00000 -0.94000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_10.PDB 4.96327 -11.97000 -1.10000 -1.81000 -10.15000 -2.01000 9.37000 -14.15000 1.63000 5.95000 2.01000 0.00000 0.00000 0.00000 0.34000 1.76000 0.00000 -0.90000 0.00000 -1.15000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_11.PDB 7.21573 -11.51000 -1.98000 -2.61000 -10.87000 -1.94000 9.74000 -15.10000 3.35000 7.00000 2.73000 0.00000 0.00000 0.00000 0.55000 2.02000 0.00000 -1.22000 0.00000 -1.18000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_12.PDB 5.13403 -12.48000 -2.07000 -2.57000 -10.99000 -2.12000 9.87000 -15.20000 2.96000 6.95000 2.61000 0.00000 0.00000 0.00000 0.42000 2.12000 0.00000 -1.14000 0.00000 -1.21000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_13.PDB 5.77636 -13.48000 -2.05000 -2.82000 -11.40000 -1.64000 9.60000 -16.01000 2.99000 7.09000 2.64000 0.00000 0.00000 0.00000 0.37000 1.93000 0.00000 -1.17000 0.00000 -1.08000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_14.PDB 5.08780 -11.84000 -2.04000 -2.19000 -11.44000 -1.47000 9.98000 -15.93000 3.02000 7.40000 2.17000 0.00000 0.00000 0.00000 0.53000 1.97000 0.00000 -1.01000 0.00000 -0.84000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_15.PDB 4.48874 -12.92000 -2.02000 -2.66000 -11.40000 -1.66000 9.46000 -15.99000 3.27000 7.19000 2.84000 0.00000 0.00000 0.00000 0.26000 1.87000 0.00000 -1.17000 0.00000 -1.02000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_16.PDB 5.38789 -11.82000 -2.05000 -2.58000 -10.70000 -1.74000 9.40000 -14.81000 2.98000 6.60000 2.54000 0.00000 0.00000 0.00000 0.43000 2.08000 0.00000 -0.80000 0.00000 -1.11000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_17.PDB 4.45282 -12.15000 -2.09000 -2.68000 -10.89000 -1.87000 9.62000 -15.03000 3.28000 6.75000 2.63000 0.00000 0.00000 0.00000 0.27000 2.08000 0.00000 -1.09000 0.00000 -1.06000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_18.PDB 5.70696 -11.16000 -2.01000 -2.54000 -11.23000 -1.44000 10.43000 -15.49000 3.13000 6.78000 2.45000 0.00000 0.00000 0.00000 0.43000 2.14000 0.00000 -0.91000 0.00000 -0.76000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_19.PDB 5.69371 -12.45000 -3.63000 -3.75000 -12.02000 -1.28000 11.48000 -16.27000 3.06000 8.18000 2.94000 0.00000 0.00000 0.00000 0.48000 2.10000 0.00000 -1.01000 0.00000 -0.64000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_20.PDB 5.02238 -13.07000 -1.21000 -1.76000 -11.41000 -1.87000 9.23000 -16.46000 3.33000 6.44000 2.13000 0.00000 0.00000 0.00000 0.58000 1.95000 0.00000 -1.05000 0.00000 -1.01000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_21.PDB 4.59197 -11.14000 -1.24000 -1.41000 -11.07000 -1.67000 8.96000 -15.65000 4.61000 5.91000 2.09000 0.00000 0.00000 0.00000 0.28000 2.04000 0.00000 -0.95000 0.00000 -1.01000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_22.PDB 5.18112 -15.02000 -2.77000 -2.94000 -12.00000 -2.20000 11.05000 -16.58000 3.37000 6.91000 2.12000 0.00000 0.00000 0.00000 0.44000 2.05000 0.00000 -1.11000 0.00000 -1.32000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_23.PDB 5.17536 -11.91000 -2.04000 -2.57000 -10.89000 -1.87000 9.76000 -15.10000 3.09000 6.93000 2.55000 0.00000 0.00000 0.00000 0.43000 2.17000 0.00000 -1.14000 0.00000 -1.06000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_24.PDB 5.57109 -11.16000 -0.61000 -1.18000 -11.02000 -1.80000 8.89000 -15.61000 4.52000 5.43000 1.59000 0.00000 0.00000 0.00000 0.29000 1.87000 0.00000 -0.76000 0.00000 -0.89000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_25.PDB 5.35649 -10.77000 -0.55000 -0.71000 -10.70000 -1.53000 8.36000 -15.10000 4.41000 5.00000 1.33000 0.00000 0.00000 0.00000 0.29000 1.85000 0.00000 -0.65000 0.00000 -0.92000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_26.PDB 5.16884 -11.77000 -1.97000 -2.12000 -10.90000 -1.55000 9.50000 -15.04000 3.03000 6.69000 2.16000 0.00000 0.00000 0.00000 0.39000 2.11000 0.00000 -0.98000 0.00000 -0.97000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_27.PDB 4.88751 -11.93000 -1.11000 -1.93000 -10.58000 -2.15000 9.47000 -14.77000 3.13000 6.01000 2.10000 0.00000 0.00000 0.00000 0.28000 1.95000 0.00000 -1.19000 0.00000 -1.19000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_28.PDB 4.93181 -11.82000 -1.98000 -2.13000 -10.74000 -1.54000 9.48000 -14.72000 2.76000 6.56000 2.41000 0.00000 0.00000 0.00000 0.32000 1.89000 0.00000 -1.33000 0.00000 -0.91000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_29.PDB 5.03152 -11.44000 -1.93000 -2.10000 -10.87000 -1.49000 9.47000 -14.95000 3.20000 6.71000 2.32000 0.00000 0.00000 0.00000 0.27000 2.08000 0.00000 -1.20000 0.00000 -0.86000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-28_30.PDB 5.22571 -10.09000 -1.32000 -1.43000 -10.88000 -1.08000 9.65000 -14.78000 3.28000 6.21000 1.96000 0.00000 0.00000 0.00000 0.21000 1.79000 0.00000 -1.10000 0.00000 -0.80000 0.00000 2.38000 68.00000