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-27_1.PDB 10.71316 -4.22000 -2.14000 -3.05000 -8.89000 -1.83000 8.90000 -11.32000 6.29000 6.01000 2.89000 0.00000 0.00000 0.00000 0.74000 1.52000 0.00000 -0.42000 0.00000 -1.40000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_2.PDB 11.03315 -5.99000 -2.32000 -2.94000 -8.90000 -1.66000 8.61000 -11.49000 5.06000 6.26000 2.78000 0.00000 0.00000 0.00000 0.73000 1.61000 0.00000 -0.68000 0.00000 -1.44000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_3.PDB 11.16181 -7.21000 -2.89000 -3.71000 -9.41000 -2.16000 9.48000 -11.91000 6.22000 6.64000 2.20000 0.00000 0.00000 0.00000 0.78000 1.48000 0.00000 -0.62000 0.00000 -1.84000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_4.PDB 11.20353 -7.74000 -2.58000 -3.46000 -9.15000 -2.33000 9.07000 -11.52000 5.34000 6.63000 2.18000 0.00000 0.00000 0.00000 0.64000 1.52000 0.00000 -0.59000 0.00000 -1.95000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_5.PDB 10.37902 -6.72000 -2.87000 -3.67000 -9.15000 -2.21000 9.65000 -11.57000 6.16000 6.54000 2.33000 0.00000 0.00000 0.00000 0.71000 1.48000 0.00000 -0.71000 0.00000 -1.93000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_6.PDB 10.97930 -4.37000 -2.05000 -2.95000 -8.44000 -1.58000 8.34000 -10.91000 5.70000 5.84000 2.77000 0.00000 0.00000 0.00000 0.69000 1.47000 0.00000 -0.45000 0.00000 -1.33000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_7.PDB 10.98553 -6.84000 -1.83000 -2.56000 -8.34000 -1.73000 7.60000 -10.93000 3.86000 5.60000 2.74000 0.00000 0.00000 0.00000 0.68000 1.39000 0.00000 -0.48000 0.00000 -1.45000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_8.PDB 10.64305 -7.15000 -1.12000 -2.53000 -8.77000 -2.00000 7.95000 -11.58000 5.33000 5.29000 2.88000 0.00000 0.00000 0.00000 0.50000 1.42000 0.00000 -1.47000 0.00000 -1.63000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_9.PDB 11.94139 -6.81000 -2.27000 -2.81000 -8.59000 -1.72000 8.37000 -11.09000 4.10000 5.81000 2.73000 0.00000 0.00000 0.00000 0.74000 1.52000 0.00000 -0.58000 0.00000 -1.51000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_10.PDB 10.70750 -6.37000 -1.85000 -2.63000 -8.73000 -2.06000 8.42000 -11.06000 4.87000 5.89000 2.75000 0.00000 0.00000 0.00000 0.54000 1.56000 0.00000 -0.98000 0.00000 -1.54000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_11.PDB 10.80234 -5.87000 -2.15000 -3.04000 -8.89000 -1.89000 8.92000 -11.31000 5.18000 6.05000 2.78000 0.00000 0.00000 0.00000 0.64000 1.63000 0.00000 -0.69000 0.00000 -1.47000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_12.PDB 11.81140 -6.88000 -1.73000 -2.36000 -9.17000 -2.53000 9.11000 -11.38000 5.52000 6.10000 1.89000 0.00000 0.00000 0.00000 0.65000 1.53000 0.00000 -0.96000 0.00000 -2.00000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_13.PDB 12.59547 -7.14000 -1.78000 -4.38000 -9.45000 -2.22000 9.50000 -11.66000 4.87000 6.89000 3.20000 0.00000 0.00000 0.00000 0.66000 1.33000 0.00000 -1.09000 0.00000 -1.67000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_14.PDB 10.32817 -7.05000 -1.87000 -2.55000 -9.02000 -2.12000 8.47000 -11.53000 4.08000 6.25000 2.93000 0.00000 0.00000 0.00000 0.50000 1.43000 0.00000 -0.71000 0.00000 -1.48000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_15.PDB 11.95514 -6.09000 -1.73000 -2.45000 -9.18000 -2.61000 9.00000 -11.54000 5.33000 6.03000 2.89000 0.00000 0.00000 0.00000 0.65000 1.50000 0.00000 -0.59000 0.00000 -1.90000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_16.PDB 10.72169 -7.67000 -1.73000 -2.57000 -9.32000 -2.25000 8.61000 -11.85000 3.92000 6.18000 2.88000 0.00000 0.00000 0.00000 0.75000 1.39000 0.00000 -0.75000 0.00000 -1.55000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_17.PDB 11.10839 -6.04000 -1.75000 -2.52000 -8.90000 -1.96000 8.29000 -11.38000 5.15000 5.95000 2.85000 0.00000 0.00000 0.00000 0.71000 1.61000 0.00000 -1.05000 0.00000 -1.44000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_18.PDB 10.97577 -5.33000 -1.82000 -2.59000 -8.41000 -1.55000 7.71000 -11.02000 5.05000 5.88000 2.68000 0.00000 0.00000 0.00000 0.59000 1.53000 0.00000 -0.60000 0.00000 -1.23000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_19.PDB 10.91833 -4.99000 -1.75000 -2.55000 -9.05000 -1.94000 8.58000 -11.48000 6.05000 6.04000 2.87000 0.00000 0.00000 0.00000 0.62000 1.49000 0.00000 -0.84000 0.00000 -1.52000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_20.PDB 9.55843 -6.41000 -2.25000 -3.06000 -8.76000 -1.71000 8.35000 -11.28000 4.94000 6.18000 2.82000 0.00000 0.00000 0.00000 0.47000 1.37000 0.00000 -0.62000 0.00000 -1.49000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_21.PDB 10.69862 -8.46000 -2.33000 -3.70000 -9.07000 -2.24000 9.34000 -11.41000 3.75000 6.56000 2.16000 0.00000 0.00000 0.00000 0.56000 1.32000 0.00000 -0.29000 0.00000 -1.78000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_22.PDB 11.09315 -7.85000 -2.06000 -3.47000 -9.03000 -1.77000 7.93000 -11.96000 4.23000 6.96000 2.59000 0.00000 0.00000 0.00000 0.52000 1.66000 0.00000 -0.29000 0.00000 -1.49000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_23.PDB 11.22862 -5.52000 -2.24000 -3.91000 -8.43000 -1.31000 8.09000 -10.90000 5.73000 6.03000 2.24000 0.00000 0.00000 0.00000 0.69000 1.37000 0.00000 -0.27000 0.00000 -1.24000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_24.PDB 12.18801 -6.87000 -1.77000 -3.38000 -9.07000 -1.64000 8.58000 -11.47000 4.10000 6.21000 2.89000 0.00000 0.00000 0.00000 0.68000 1.54000 0.00000 -0.81000 0.00000 -1.19000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_25.PDB 11.64483 -7.65000 -2.86000 -3.59000 -8.90000 -1.90000 9.36000 -11.30000 4.14000 6.29000 2.81000 0.00000 0.00000 0.00000 0.78000 1.45000 0.00000 -0.93000 0.00000 -1.54000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_26.PDB 11.42374 -7.00000 -2.20000 -3.13000 -8.90000 -2.64000 9.39000 -11.05000 5.36000 6.14000 2.20000 0.00000 0.00000 0.00000 0.81000 1.44000 0.00000 -1.01000 0.00000 -1.96000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_27.PDB 11.68564 -4.59000 -1.67000 -2.51000 -8.73000 -1.81000 8.23000 -11.29000 5.91000 6.04000 2.82000 0.00000 0.00000 0.00000 0.74000 1.50000 0.00000 -0.67000 0.00000 -1.65000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_28.PDB 11.78801 -6.68000 -1.77000 -2.50000 -8.70000 -1.86000 7.94000 -11.24000 4.04000 6.17000 2.71000 0.00000 0.00000 0.00000 0.67000 1.40000 0.00000 -0.70000 0.00000 -1.43000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_29.PDB 10.63711 -7.32000 -2.97000 -3.75000 -9.38000 -1.88000 9.27000 -12.03000 5.61000 6.76000 2.76000 0.00000 0.00000 0.00000 0.69000 1.55000 0.00000 -0.78000 0.00000 -1.62000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-27_30.PDB 11.85914 -6.05000 -2.23000 -3.02000 -8.50000 -1.65000 8.09000 -11.02000 5.08000 6.04000 2.68000 0.00000 0.00000 0.00000 0.73000 1.33000 0.00000 -0.76000 0.00000 -1.50000 0.00000 2.38000 67.00000