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-19_1.PDB 4.76390 -8.49000 -1.60000 -1.50000 -8.88000 -1.03000 7.90000 -12.30000 0.31000 5.32000 4.58000 0.00000 0.00000 0.00000 0.03000 1.37000 0.00000 -0.47000 0.00000 -0.84000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_2.PDB 4.52590 -9.35000 -1.49000 -2.15000 -10.05000 -1.59000 9.58000 -13.65000 0.49000 5.89000 5.05000 0.00000 0.00000 0.00000 0.06000 1.38000 0.00000 -0.38000 0.00000 -1.12000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_3.PDB 4.45447 -9.25000 -1.62000 -1.51000 -10.02000 -1.08000 9.58000 -13.29000 0.51000 5.55000 3.81000 0.00000 0.00000 0.00000 0.06000 1.48000 0.00000 -0.33000 0.00000 -0.90000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_4.PDB 5.63173 -10.95000 -2.25000 -3.75000 -10.43000 -2.36000 10.37000 -13.61000 1.33000 6.71000 4.87000 0.00000 0.00000 0.00000 0.06000 1.48000 0.00000 -0.25000 0.00000 -1.64000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_5.PDB 5.94786 -12.30000 -2.31000 -4.55000 -11.77000 -3.17000 12.64000 -15.08000 1.94000 8.02000 4.19000 0.00000 0.00000 0.00000 0.11000 1.63000 0.00000 -0.31000 0.00000 -2.00000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_6.PDB 5.27897 -9.28000 -1.81000 -2.43000 -9.63000 -1.36000 10.00000 -12.85000 0.54000 5.59000 3.99000 0.00000 0.00000 0.00000 0.06000 1.36000 0.00000 -0.42000 0.00000 -0.95000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_7.PDB 4.96455 -10.03000 -1.66000 -3.18000 -10.06000 -1.97000 9.90000 -13.47000 0.63000 6.46000 4.90000 0.00000 0.00000 0.00000 0.07000 1.47000 0.00000 -0.46000 0.00000 -1.21000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_8.PDB 4.40122 -8.40000 -1.41000 -1.37000 -9.29000 -1.32000 8.65000 -12.57000 0.41000 5.46000 4.62000 0.00000 0.00000 0.00000 0.06000 1.52000 0.00000 -0.66000 0.00000 -0.97000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_9.PDB 5.19600 -11.23000 -1.99000 -3.69000 -10.52000 -2.19000 10.64000 -13.61000 0.39000 7.24000 4.43000 0.00000 0.00000 0.00000 0.08000 1.52000 0.00000 -0.52000 0.00000 -1.51000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_10.PDB 4.56805 -9.59000 -1.62000 -1.64000 -10.31000 -1.17000 9.76000 -13.56000 0.61000 5.74000 3.82000 0.00000 0.00000 0.00000 0.08000 1.59000 0.00000 -0.55000 0.00000 -0.74000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_11.PDB 5.18505 -9.22000 -2.04000 -3.66000 -10.25000 -2.00000 10.31000 -13.44000 1.39000 7.29000 5.12000 0.00000 0.00000 0.00000 0.07000 1.46000 0.00000 -0.80000 0.00000 -1.20000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_12.PDB 5.13471 -10.61000 -2.34000 -3.14000 -10.27000 -1.70000 10.42000 -13.19000 1.30000 5.89000 3.81000 0.00000 0.00000 0.00000 0.08000 1.19000 0.00000 -0.42000 0.00000 -1.06000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_13.PDB 4.87053 -8.98000 -1.50000 -1.83000 -9.58000 -0.81000 7.92000 -13.76000 0.68000 5.86000 4.88000 0.00000 0.00000 0.00000 0.10000 1.44000 0.00000 -0.28000 0.00000 -0.66000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_14.PDB 4.60574 -9.51000 -1.33000 -1.37000 -9.63000 -1.82000 9.14000 -12.81000 0.32000 5.38000 4.58000 0.00000 0.00000 0.00000 0.11000 1.56000 0.00000 -0.78000 0.00000 -1.28000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_15.PDB 5.23125 -9.85000 -1.45000 -1.45000 -10.41000 -1.20000 9.09000 -14.83000 1.20000 5.89000 4.11000 0.00000 0.00000 0.00000 0.26000 1.58000 0.00000 -0.14000 0.00000 -0.92000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_16.PDB 4.87724 -9.86000 -1.61000 -2.14000 -10.38000 -1.55000 10.16000 -14.03000 0.76000 5.96000 4.21000 0.00000 0.00000 0.00000 0.12000 1.40000 0.00000 -0.33000 0.00000 -1.02000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_17.PDB 4.55646 -10.18000 -1.59000 -3.79000 -10.86000 -2.06000 11.15000 -14.62000 0.58000 8.54000 4.82000 0.00000 0.00000 0.00000 0.07000 1.46000 0.00000 -0.95000 0.00000 -1.47000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_18.PDB 4.37774 -8.75000 -1.61000 -2.22000 -9.10000 -0.99000 8.01000 -12.97000 0.31000 6.27000 4.70000 0.00000 0.00000 0.00000 0.06000 1.32000 0.00000 -0.32000 0.00000 -0.89000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_19.PDB 5.87638 -9.24000 -2.35000 -2.56000 -9.37000 -0.75000 8.15000 -13.22000 1.17000 5.82000 4.81000 0.00000 0.00000 0.00000 0.20000 1.43000 0.00000 -0.46000 0.00000 -0.68000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_20.PDB 5.01207 -9.60000 -1.38000 -1.43000 -9.63000 -0.63000 8.22000 -13.77000 0.82000 4.89000 3.87000 0.00000 0.00000 0.00000 0.17000 1.50000 0.00000 -0.18000 0.00000 -0.53000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_21.PDB 4.55756 -9.91000 -1.44000 -1.58000 -9.77000 -1.39000 8.97000 -13.47000 0.59000 5.38000 4.37000 0.00000 0.00000 0.00000 0.08000 1.45000 0.00000 -0.62000 0.00000 -1.03000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_22.PDB 4.66666 -10.89000 -1.60000 -2.18000 -10.73000 -1.65000 10.47000 -13.96000 0.71000 5.69000 3.57000 0.00000 0.00000 0.00000 0.07000 1.57000 0.00000 -0.29000 0.00000 -0.99000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_23.PDB 4.66486 -9.17000 -1.68000 -1.60000 -9.63000 -1.47000 9.17000 -13.51000 0.46000 6.06000 4.82000 0.00000 0.00000 0.00000 0.14000 1.50000 0.00000 -0.64000 0.00000 -1.30000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_24.PDB 4.56148 -9.11000 -1.63000 -2.45000 -10.99000 -2.18000 10.34000 -14.59000 1.68000 7.75000 4.51000 0.00000 0.00000 0.00000 0.15000 1.63000 0.00000 -0.35000 0.00000 -1.35000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_25.PDB 5.10877 -10.90000 -2.29000 -3.88000 -10.60000 -2.12000 10.72000 -13.72000 1.16000 7.23000 4.51000 0.00000 0.00000 0.00000 0.08000 1.50000 0.00000 -0.54000 0.00000 -1.43000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_26.PDB 6.92110 -9.95000 -1.98000 -1.87000 -10.26000 -1.14000 9.32000 -14.37000 1.54000 5.85000 4.02000 0.00000 0.00000 0.00000 0.22000 1.56000 0.00000 -0.35000 0.00000 -0.93000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_27.PDB 5.05801 -10.77000 -1.86000 -2.31000 -11.03000 -2.23000 10.79000 -14.52000 0.66000 6.90000 4.66000 0.00000 0.00000 0.00000 0.08000 1.35000 0.00000 -0.59000 0.00000 -1.33000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_28.PDB 5.38713 -8.82000 -2.06000 -2.03000 -9.84000 -1.33000 9.33000 -13.07000 1.17000 5.75000 4.88000 0.00000 0.00000 0.00000 0.11000 1.50000 0.00000 -0.80000 0.00000 -0.92000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_29.PDB 4.67267 -11.27000 -1.71000 -3.34000 -10.62000 -2.33000 10.92000 -14.02000 0.77000 7.02000 3.85000 0.00000 0.00000 0.00000 0.08000 1.55000 0.00000 -0.35000 0.00000 -1.54000 0.00000 2.38000 67.00000 BEM1-D2_1GCQ-19_30.PDB 5.04688 -8.42000 -1.93000 -2.60000 -9.49000 -1.41000 9.42000 -12.74000 0.53000 6.10000 4.88000 0.00000 0.00000 0.00000 0.04000 1.35000 0.00000 -0.24000 0.00000 -0.99000 0.00000 2.38000 67.00000