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-5_1.PDB 9.61959 -9.47000 -2.33000 -5.27000 -13.29000 -1.78000 12.55000 -18.70000 8.09000 8.02000 3.77000 0.00000 0.00000 0.00000 0.84000 2.00000 0.00000 -0.16000 0.00000 -1.22000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_2.PDB 8.45050 -8.93000 -1.46000 -5.36000 -14.19000 -5.07000 15.85000 -18.70000 6.31000 10.63000 5.07000 0.00000 0.00000 0.00000 1.43000 2.28000 0.00000 -0.79000 0.00000 -2.65000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_3.PDB 7.96685 -12.25000 -1.51000 -6.25000 -13.55000 -2.66000 13.19000 -19.06000 5.02000 9.38000 3.99000 0.00000 0.00000 0.00000 1.48000 2.01000 0.00000 -0.58000 0.00000 -1.71000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_4.PDB 9.84237 -8.87000 -0.75000 -2.45000 -13.75000 -0.58000 11.23000 -20.04000 6.53000 6.26000 3.85000 0.00000 0.00000 0.00000 1.67000 2.36000 0.00000 -0.40000 0.00000 -0.44000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_5.PDB 7.38156 -6.12000 -1.34000 -2.90000 -13.39000 -2.71000 13.27000 -18.78000 8.88000 8.96000 4.04000 0.00000 0.00000 0.00000 0.55000 2.46000 0.00000 -1.07000 0.00000 -1.65000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_6.PDB 9.36875 -8.64000 -3.14000 -5.78000 -14.69000 -1.79000 14.05000 -20.52000 9.84000 9.60000 4.14000 0.00000 0.00000 0.00000 1.10000 2.23000 0.00000 -0.18000 0.00000 -1.26000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_7.PDB 10.30434 -10.44000 -2.36000 -4.59000 -12.67000 -1.29000 11.92000 -17.79000 5.94000 7.08000 3.26000 0.00000 0.00000 0.00000 1.17000 1.84000 0.00000 -0.19000 0.00000 -0.90000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_8.PDB 9.99654 -11.19000 -2.28000 -6.29000 -13.49000 -3.46000 14.40000 -18.33000 5.00000 10.77000 3.62000 0.00000 0.00000 0.00000 1.75000 1.91000 0.00000 -0.81000 0.00000 -2.06000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_9.PDB 8.56099 -10.33000 -2.40000 -3.16000 -12.27000 -1.95000 11.73000 -17.23000 4.47000 7.87000 3.44000 0.00000 0.00000 0.00000 1.15000 2.05000 0.00000 -0.73000 0.00000 -1.26000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_10.PDB 9.65454 -7.96000 -1.50000 -3.90000 -12.93000 -1.35000 12.37000 -18.28000 5.41000 7.52000 4.56000 0.00000 0.00000 0.00000 1.57000 2.12000 0.00000 -0.53000 0.00000 -0.90000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_11.PDB 7.70673 -13.19000 -2.21000 -4.78000 -14.53000 -3.41000 13.11000 -20.11000 6.31000 10.62000 3.75000 0.00000 0.00000 0.00000 0.63000 2.47000 0.00000 -0.63000 0.00000 -1.95000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_12.PDB 8.03386 -11.44000 -1.53000 -3.30000 -13.30000 -0.33000 10.55000 -19.40000 5.03000 6.45000 3.67000 0.00000 0.00000 0.00000 1.20000 2.08000 0.00000 -0.11000 0.00000 -0.37000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_13.PDB 8.00902 -8.87000 -0.75000 -2.47000 -12.14000 -0.63000 9.46000 -17.91000 5.06000 5.60000 4.21000 0.00000 0.00000 0.00000 1.31000 2.21000 0.00000 -0.18000 0.00000 -0.43000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_14.PDB 6.90050 -11.29000 -1.46000 -4.46000 -12.58000 -1.70000 11.17000 -18.36000 4.54000 8.06000 3.77000 0.00000 0.00000 0.00000 1.24000 1.87000 0.00000 -0.51000 0.00000 -0.99000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_15.PDB 7.66599 -7.35000 -0.61000 -3.62000 -12.93000 -1.54000 12.15000 -18.55000 6.05000 8.26000 4.04000 0.00000 0.00000 0.00000 1.23000 2.38000 0.00000 -0.94000 0.00000 -0.89000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_16.PDB 8.44114 -13.36000 -1.54000 -3.79000 -13.62000 -3.64000 13.05000 -18.81000 4.98000 8.09000 3.53000 0.00000 0.00000 0.00000 0.78000 2.22000 0.00000 -0.62000 0.00000 -1.77000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_17.PDB 8.73597 -6.31000 -1.56000 -1.44000 -13.06000 -0.94000 11.45000 -18.63000 7.41000 7.38000 3.68000 0.00000 0.00000 0.00000 0.69000 2.65000 0.00000 -0.44000 0.00000 -0.85000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_18.PDB 8.45568 -4.28000 -2.49000 -4.56000 -14.30000 -1.50000 13.45000 -20.13000 13.31000 8.72000 3.62000 0.00000 0.00000 0.00000 1.16000 2.22000 0.00000 -0.38000 0.00000 -1.19000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_19.PDB 8.94242 -8.60000 -1.51000 -4.12000 -14.70000 -4.73000 14.96000 -19.45000 7.46000 9.53000 5.40000 0.00000 0.00000 0.00000 1.45000 2.42000 0.00000 -0.71000 0.00000 -2.20000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_20.PDB 8.62728 -8.87000 -1.50000 -3.83000 -13.65000 -3.32000 13.76000 -18.34000 5.30000 10.23000 4.15000 0.00000 0.00000 0.00000 0.86000 2.46000 0.00000 -0.55000 0.00000 -2.00000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_21.PDB 9.88961 -8.24000 -0.76000 -2.35000 -13.94000 -0.54000 11.26000 -19.84000 6.65000 6.52000 3.96000 0.00000 0.00000 0.00000 1.66000 2.41000 0.00000 -0.46000 0.00000 -0.39000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_22.PDB 7.14463 9.56000 -1.38000 -3.16000 -13.78000 -1.10000 13.72000 -19.17000 22.76000 7.70000 4.20000 0.00000 0.00000 0.00000 1.23000 2.17000 0.00000 -0.56000 0.00000 -0.90000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_23.PDB 7.58240 7.18000 -1.42000 -3.13000 -13.97000 -0.34000 11.66000 -20.32000 23.05000 7.18000 3.80000 0.00000 0.00000 0.00000 1.35000 2.24000 0.00000 -0.24000 0.00000 -0.46000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_24.PDB 7.06646 -10.42000 -2.20000 -2.87000 -12.52000 -1.15000 10.22000 -18.25000 5.70000 7.90000 3.71000 0.00000 0.00000 0.00000 0.51000 1.99000 0.00000 -0.46000 0.00000 -1.01000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_25.PDB 8.80751 -8.00000 -2.30000 -2.23000 -12.05000 -1.29000 11.34000 -16.72000 5.51000 6.72000 3.16000 0.00000 0.00000 0.00000 1.00000 1.95000 0.00000 -0.36000 0.00000 -0.79000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_26.PDB 9.24366 -10.33000 -2.30000 -4.82000 -12.72000 -1.32000 12.38000 -17.54000 4.75000 7.23000 3.38000 0.00000 0.00000 0.00000 1.72000 1.93000 0.00000 -0.23000 0.00000 -0.85000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_27.PDB 6.99017 -12.94000 -1.97000 -4.69000 -14.40000 -3.82000 13.87000 -19.61000 5.03000 10.23000 3.74000 0.00000 0.00000 0.00000 0.86000 2.21000 0.00000 -0.17000 0.00000 -2.00000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_28.PDB 8.30381 -4.62000 -1.41000 -3.27000 -14.17000 -0.34000 11.04000 -20.65000 13.41000 7.44000 3.37000 0.00000 0.00000 0.00000 0.99000 2.43000 0.00000 -0.55000 0.00000 -0.46000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_29.PDB 8.17336 -7.51000 -0.53000 -6.05000 -12.32000 -3.77000 14.15000 -16.78000 4.82000 9.79000 4.55000 0.00000 0.00000 0.00000 1.47000 2.07000 0.00000 -0.93000 0.00000 -1.91000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-5_30.PDB 9.08744 -5.73000 -1.89000 -5.28000 -12.58000 -2.16000 13.45000 -17.24000 7.95000 8.37000 3.77000 0.00000 0.00000 0.00000 1.74000 2.15000 0.00000 -0.51000 0.00000 -1.34000 0.00000 2.38000 68.00000