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-12_1.PDB 4.17998 -9.42000 -1.99000 -2.04000 -6.89000 -1.55000 6.57000 -9.43000 0.19000 4.73000 1.86000 0.00000 0.00000 0.00000 0.13000 0.95000 0.00000 -0.10000 0.00000 -0.89000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_2.PDB 4.87021 -10.59000 -2.86000 -2.91000 -6.83000 -1.70000 6.93000 -9.23000 0.24000 5.22000 1.47000 0.00000 0.00000 0.00000 0.15000 0.94000 0.00000 -0.08000 0.00000 -0.98000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_3.PDB 5.41107 -10.26000 -2.69000 -2.85000 -6.98000 -1.61000 6.82000 -9.44000 0.51000 5.34000 1.54000 0.00000 0.00000 0.00000 0.16000 0.93000 0.00000 -0.12000 0.00000 -0.92000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_4.PDB 4.42025 -9.93000 -2.83000 -2.91000 -7.11000 -1.51000 7.43000 -9.58000 0.39000 5.30000 1.76000 0.00000 0.00000 0.00000 0.12000 0.95000 0.00000 -0.11000 0.00000 -0.89000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_5.PDB 5.45955 -9.45000 -2.73000 -2.94000 -6.42000 -1.67000 6.76000 -8.45000 0.46000 4.80000 1.50000 0.00000 0.00000 0.00000 0.18000 0.74000 0.00000 -0.04000 0.00000 -0.91000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_6.PDB 4.51774 -8.87000 -2.91000 -2.96000 -7.04000 -1.53000 7.42000 -9.47000 0.99000 5.31000 2.09000 0.00000 0.00000 0.00000 0.13000 0.93000 0.00000 -0.07000 0.00000 -0.83000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_7.PDB 4.26783 -10.17000 -2.84000 -2.92000 -7.06000 -1.61000 7.25000 -9.52000 0.13000 5.36000 2.10000 0.00000 0.00000 0.00000 0.14000 0.92000 0.00000 -0.21000 0.00000 -0.99000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_8.PDB 5.57146 -9.85000 -2.05000 -3.71000 -6.03000 -1.50000 6.11000 -8.00000 0.21000 4.71000 1.48000 0.00000 0.00000 0.00000 0.13000 0.59000 0.00000 -0.30000 0.00000 -0.91000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_9.PDB 4.43173 -9.86000 -2.88000 -2.97000 -6.97000 -1.43000 7.23000 -9.42000 0.24000 5.45000 1.73000 0.00000 0.00000 0.00000 0.15000 0.94000 0.00000 -0.10000 0.00000 -0.90000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_10.PDB 4.37609 -8.84000 -2.71000 -2.81000 -6.34000 -1.39000 6.73000 -8.42000 0.18000 4.88000 1.91000 0.00000 0.00000 0.00000 0.14000 0.71000 0.00000 -0.10000 0.00000 -0.91000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_11.PDB 4.57964 -9.47000 -2.03000 -3.41000 -6.32000 -1.55000 6.26000 -8.45000 0.21000 4.78000 1.91000 0.00000 0.00000 0.00000 0.14000 0.73000 0.00000 -0.05000 0.00000 -0.97000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_12.PDB 4.97416 -9.87000 -1.69000 -3.29000 -6.35000 -1.95000 6.34000 -8.26000 0.62000 5.49000 0.76000 0.00000 0.00000 0.00000 0.10000 0.81000 0.00000 -0.66000 0.00000 -0.98000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_13.PDB 4.40413 -9.91000 -2.86000 -2.93000 -7.03000 -1.65000 7.26000 -9.48000 0.17000 5.48000 2.06000 0.00000 0.00000 0.00000 0.14000 0.92000 0.00000 -0.07000 0.00000 -0.99000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_14.PDB 5.66878 -11.03000 -2.00000 -4.00000 -6.05000 -1.63000 5.94000 -8.02000 0.35000 4.50000 1.11000 0.00000 0.00000 0.00000 0.11000 0.62000 0.00000 -0.29000 0.00000 -1.05000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_15.PDB 4.42235 -9.30000 -1.88000 -1.99000 -6.53000 -1.69000 6.10000 -8.77000 0.43000 4.28000 1.85000 0.00000 0.00000 0.00000 0.15000 0.76000 0.00000 -0.31000 0.00000 -0.96000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_16.PDB 5.94367 -9.11000 -2.11000 -3.73000 -5.86000 -1.33000 6.14000 -7.72000 0.16000 4.70000 1.60000 0.00000 0.00000 0.00000 0.09000 0.56000 0.00000 -0.22000 0.00000 -0.83000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_17.PDB 4.39907 -10.78000 -2.69000 -4.33000 -6.95000 -2.16000 7.31000 -9.15000 0.58000 6.63000 1.51000 0.00000 0.00000 0.00000 0.11000 1.06000 0.00000 -0.53000 0.00000 -1.12000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_18.PDB 4.54534 -9.77000 -2.02000 -3.65000 -5.82000 -1.52000 5.90000 -7.73000 0.16000 3.64000 2.24000 0.00000 0.00000 0.00000 0.11000 0.68000 0.00000 -0.00000 0.00000 -1.08000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_19.PDB 4.33831 -9.23000 -2.67000 -4.19000 -6.77000 -1.85000 7.45000 -8.94000 0.25000 6.64000 1.89000 0.00000 0.00000 0.00000 0.16000 1.00000 0.00000 -0.16000 0.00000 -1.03000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_20.PDB 4.32651 -9.68000 -2.93000 -4.42000 -6.72000 -1.45000 7.16000 -9.04000 0.15000 6.54000 1.89000 0.00000 0.00000 0.00000 0.14000 1.01000 0.00000 -0.12000 0.00000 -0.88000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_21.PDB 4.50195 -9.12000 -2.08000 -2.85000 -6.99000 -2.26000 7.75000 -9.01000 0.17000 5.36000 1.81000 0.00000 0.00000 0.00000 0.16000 0.97000 0.00000 -0.13000 0.00000 -1.06000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_22.PDB 4.61763 -9.63000 -1.94000 -5.01000 -6.00000 -1.44000 6.08000 -7.93000 0.22000 5.55000 1.60000 0.00000 0.00000 0.00000 0.17000 0.58000 0.00000 -0.05000 0.00000 -0.88000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_23.PDB 5.38312 -9.16000 -1.21000 -3.63000 -6.45000 -2.27000 6.77000 -8.24000 0.42000 4.84000 1.73000 0.00000 0.00000 0.00000 0.11000 0.60000 0.00000 -0.08000 0.00000 -1.15000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_24.PDB 4.08253 -8.06000 -2.72000 -2.74000 -5.72000 -1.03000 6.28000 -7.65000 0.15000 4.49000 1.42000 0.00000 0.00000 0.00000 0.13000 0.92000 0.00000 -0.03000 0.00000 -0.66000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_25.PDB 5.63504 -8.03000 -2.88000 -3.07000 -6.15000 -1.21000 6.63000 -8.10000 0.69000 4.80000 2.06000 0.00000 0.00000 0.00000 0.13000 0.73000 0.00000 -0.11000 0.00000 -0.82000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_26.PDB 4.38381 -9.26000 -2.69000 -4.18000 -6.71000 -1.65000 7.18000 -8.96000 0.24000 6.46000 1.86000 0.00000 0.00000 0.00000 0.16000 0.90000 0.00000 -0.05000 0.00000 -0.91000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_27.PDB 4.46964 -9.10000 -2.69000 -4.23000 -6.30000 -1.91000 7.05000 -8.16000 0.20000 6.16000 1.75000 0.00000 0.00000 0.00000 0.18000 0.77000 0.00000 -0.05000 0.00000 -1.09000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_28.PDB 4.36123 -10.15000 -2.86000 -2.92000 -6.88000 -1.63000 6.97000 -9.34000 0.26000 5.32000 1.87000 0.00000 0.00000 0.00000 0.15000 0.91000 0.00000 -0.14000 0.00000 -0.94000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_29.PDB 4.60264 -9.50000 -2.05000 -3.60000 -6.09000 -1.91000 6.11000 -8.09000 0.21000 5.59000 1.66000 0.00000 0.00000 0.00000 0.11000 0.75000 0.00000 -0.27000 0.00000 -1.17000 0.00000 2.38000 66.00000 BEM1-D2_1GCQ-12_30.PDB 4.82460 -9.71000 -2.85000 -2.89000 -6.67000 -1.72000 7.10000 -8.92000 0.56000 5.22000 1.46000 0.00000 0.00000 0.00000 0.16000 0.94000 0.00000 -0.10000 0.00000 -1.06000 0.00000 2.38000 66.00000