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-14_1.PDB 4.78402 -13.84000 -2.35000 -5.47000 -10.31000 -2.65000 11.11000 -13.56000 0.97000 8.04000 2.83000 0.00000 0.00000 0.00000 0.09000 1.45000 0.00000 -0.63000 0.00000 -1.91000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_2.PDB 4.97208 -12.39000 -2.34000 -2.44000 -9.56000 -1.60000 8.95000 -12.85000 0.64000 5.62000 2.64000 0.00000 0.00000 0.00000 0.09000 1.42000 0.00000 -0.29000 0.00000 -1.26000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_3.PDB 4.94404 -10.11000 -1.46000 -1.56000 -9.54000 -1.86000 8.96000 -12.85000 1.13000 5.49000 2.91000 0.00000 0.00000 0.00000 0.13000 1.74000 0.00000 -0.28000 0.00000 -1.17000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_4.PDB 5.79736 -11.37000 -2.35000 -2.90000 -10.49000 -2.60000 11.26000 -13.40000 0.79000 7.12000 3.17000 0.00000 0.00000 0.00000 0.12000 1.95000 0.00000 -0.42000 0.00000 -1.66000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_5.PDB 5.54087 -11.75000 -2.34000 -2.42000 -10.01000 -1.61000 9.63000 -13.32000 0.68000 6.06000 3.01000 0.00000 0.00000 0.00000 0.13000 1.88000 0.00000 -0.32000 0.00000 -1.26000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_6.PDB 4.71080 -12.31000 -2.32000 -3.26000 -9.55000 -2.17000 9.65000 -12.46000 0.45000 6.92000 2.51000 0.00000 0.00000 0.00000 0.10000 1.32000 0.00000 -0.41000 0.00000 -1.77000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_7.PDB 4.14654 -11.48000 -1.61000 -1.67000 -9.41000 -1.92000 8.65000 -12.60000 0.42000 5.32000 2.75000 0.00000 0.00000 0.00000 0.07000 1.57000 0.00000 -0.21000 0.00000 -1.26000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_8.PDB 5.08223 -12.11000 -2.23000 -2.35000 -9.85000 -1.82000 9.05000 -13.16000 1.23000 5.61000 2.67000 0.00000 0.00000 0.00000 0.18000 1.28000 0.00000 -0.26000 0.00000 -1.19000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_9.PDB 4.76868 -12.33000 -2.29000 -2.43000 -9.93000 -1.62000 9.32000 -13.37000 0.59000 5.91000 2.74000 0.00000 0.00000 0.00000 0.08000 1.35000 0.00000 -0.40000 0.00000 -0.94000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_10.PDB 5.87861 -12.78000 -2.41000 -5.31000 -10.67000 -3.09000 12.34000 -13.65000 1.38000 7.95000 3.12000 0.00000 0.00000 0.00000 0.13000 1.96000 0.00000 -0.74000 0.00000 -1.82000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_11.PDB 4.35485 -12.42000 -2.24000 -2.34000 -9.69000 -1.74000 9.25000 -12.67000 0.32000 5.78000 2.53000 0.00000 0.00000 0.00000 0.09000 1.47000 0.00000 -0.33000 0.00000 -1.38000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_12.PDB 5.73602 -11.47000 -1.64000 -1.74000 -9.59000 -2.08000 8.79000 -12.76000 0.82000 5.30000 2.63000 0.00000 0.00000 0.00000 0.22000 1.42000 0.00000 -0.19000 0.00000 -1.23000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_13.PDB 4.59066 -11.28000 -1.61000 -1.68000 -9.13000 -1.93000 8.33000 -12.11000 0.39000 5.30000 2.57000 0.00000 0.00000 0.00000 0.11000 1.65000 0.00000 -0.27000 0.00000 -1.23000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_14.PDB 4.76923 -11.59000 -1.62000 -1.71000 -9.79000 -2.07000 8.87000 -13.04000 0.72000 5.63000 2.73000 0.00000 0.00000 0.00000 0.12000 1.75000 0.00000 -0.31000 0.00000 -1.14000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_15.PDB 4.77416 -14.21000 -3.76000 -3.91000 -10.46000 -2.20000 11.45000 -13.11000 0.33000 7.02000 2.63000 0.00000 0.00000 0.00000 0.07000 1.43000 0.00000 -0.48000 0.00000 -1.77000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_16.PDB 4.98059 -11.53000 -2.27000 -2.34000 -9.68000 -1.67000 9.09000 -13.07000 1.21000 5.66000 2.97000 0.00000 0.00000 0.00000 0.11000 1.24000 0.00000 -0.31000 0.00000 -1.23000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_17.PDB 5.50043 -11.27000 -2.23000 -2.36000 -9.42000 -2.11000 9.20000 -12.42000 1.32000 5.50000 3.04000 0.00000 0.00000 0.00000 0.09000 1.38000 0.00000 -0.43000 0.00000 -1.46000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_18.PDB 6.22994 -10.76000 -2.45000 -2.53000 -9.19000 -1.90000 8.99000 -12.45000 2.14000 5.73000 2.94000 0.00000 0.00000 0.00000 0.03000 1.51000 0.00000 -0.79000 0.00000 -1.30000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_19.PDB 4.83578 -11.28000 -1.51000 -1.75000 -9.91000 -1.37000 8.52000 -13.53000 0.75000 6.02000 2.77000 0.00000 0.00000 0.00000 0.08000 1.46000 0.00000 -0.37000 0.00000 -0.97000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_20.PDB 3.99424 -10.54000 -0.77000 -0.86000 -9.23000 -0.22000 6.60000 -13.61000 0.54000 4.71000 2.83000 0.00000 0.00000 0.00000 0.04000 1.79000 0.00000 -0.28000 0.00000 -0.29000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_21.PDB 4.99813 -11.56000 -1.62000 -1.76000 -9.71000 -2.58000 9.36000 -12.68000 0.49000 6.29000 2.63000 0.00000 0.00000 0.00000 0.10000 1.63000 0.00000 -0.42000 0.00000 -1.66000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_22.PDB 4.29996 -11.29000 -0.74000 -0.83000 -9.58000 -0.26000 6.68000 -14.22000 0.41000 4.88000 2.82000 0.00000 0.00000 0.00000 0.07000 1.55000 0.00000 -0.18000 0.00000 -0.34000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_23.PDB 4.24821 -10.59000 -1.59000 -2.53000 -9.75000 -2.32000 9.96000 -12.76000 0.77000 6.65000 2.80000 0.00000 0.00000 0.00000 0.14000 1.67000 0.00000 -0.49000 0.00000 -1.46000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_24.PDB 4.28819 -10.09000 -0.74000 -0.80000 -9.02000 -0.26000 6.48000 -13.37000 0.66000 4.64000 2.89000 0.00000 0.00000 0.00000 0.05000 1.35000 0.00000 -0.28000 0.00000 -0.33000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_25.PDB 5.36109 -11.48000 -3.19000 -4.05000 -9.43000 -2.35000 11.04000 -11.85000 0.48000 7.52000 3.36000 0.00000 0.00000 0.00000 0.09000 1.81000 0.00000 -1.41000 0.00000 -1.69000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_26.PDB 5.53607 -10.62000 -2.53000 -2.60000 -9.50000 -2.19000 9.61000 -11.99000 0.53000 6.45000 3.23000 0.00000 0.00000 0.00000 0.22000 1.87000 0.00000 -0.44000 0.00000 -1.41000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_27.PDB 4.84997 -10.53000 -2.30000 -2.35000 -9.61000 -1.72000 9.50000 -12.47000 1.11000 6.08000 2.79000 0.00000 0.00000 0.00000 0.11000 1.86000 0.00000 -0.30000 0.00000 -1.36000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_28.PDB 4.31215 -10.88000 -1.57000 -4.00000 -10.40000 -3.43000 11.86000 -13.21000 1.16000 7.79000 3.26000 0.00000 0.00000 0.00000 0.10000 2.09000 0.00000 -0.55000 0.00000 -1.91000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_29.PDB 5.68771 -10.69000 -2.14000 -2.21000 -9.99000 -1.99000 9.86000 -13.15000 1.18000 5.96000 3.00000 0.00000 0.00000 0.00000 0.32000 1.76000 0.00000 -0.23000 0.00000 -1.30000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-14_30.PDB 5.40785 -12.14000 -2.39000 -2.48000 -10.33000 -1.81000 9.97000 -13.75000 0.44000 6.56000 3.02000 0.00000 0.00000 0.00000 0.09000 1.73000 0.00000 -0.33000 0.00000 -1.15000 0.00000 2.38000 67.00000