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-29_1.PDB 4.22632 -18.26000 -2.32000 -5.77000 -10.56000 -2.38000 8.17000 -14.37000 1.41000 7.53000 2.10000 0.00000 0.00000 0.00000 0.15000 0.96000 0.00000 -0.97000 0.00000 -1.26000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_2.PDB 3.93121 -17.16000 -2.14000 -5.84000 -10.79000 -3.21000 9.08000 -14.48000 1.60000 8.53000 2.64000 0.00000 0.00000 0.00000 0.10000 0.98000 0.00000 -0.76000 0.00000 -1.89000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_3.PDB 3.52715 -19.24000 -2.32000 -5.97000 -10.82000 -3.62000 9.82000 -14.06000 1.77000 7.29000 1.53000 0.00000 0.00000 0.00000 0.14000 1.11000 0.00000 -1.11000 0.00000 -1.88000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_4.PDB 3.69844 -18.32000 -2.33000 -6.52000 -10.46000 -2.59000 8.74000 -13.99000 1.46000 7.74000 2.06000 0.00000 0.00000 0.00000 0.17000 0.91000 0.00000 -0.95000 0.00000 -1.65000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_5.PDB 4.70546 -15.80000 -0.67000 -3.18000 -10.45000 -3.38000 8.12000 -13.98000 1.56000 6.52000 1.68000 0.00000 0.00000 0.00000 0.10000 1.01000 0.00000 -0.48000 0.00000 -1.64000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_6.PDB 3.63296 -15.67000 -1.54000 -4.45000 -10.24000 -2.41000 7.90000 -14.06000 1.90000 7.80000 1.95000 0.00000 0.00000 0.00000 0.07000 0.88000 0.00000 -1.03000 0.00000 -1.55000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_7.PDB 3.07354 -18.77000 -2.32000 -6.65000 -10.74000 -3.37000 9.49000 -14.10000 1.47000 8.36000 2.07000 0.00000 0.00000 0.00000 0.08000 1.15000 0.00000 -1.20000 0.00000 -1.87000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_8.PDB 4.89482 -16.17000 -0.66000 -3.35000 -10.71000 -3.56000 8.68000 -14.21000 1.81000 6.57000 1.55000 0.00000 0.00000 0.00000 0.09000 1.02000 0.00000 -0.77000 0.00000 -1.60000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_9.PDB 3.33997 -19.16000 -2.32000 -6.68000 -10.88000 -4.03000 10.04000 -14.10000 1.48000 8.92000 1.99000 0.00000 0.00000 0.00000 0.12000 1.18000 0.00000 -1.28000 0.00000 -2.42000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_10.PDB 6.27415 -17.15000 -2.33000 -4.23000 -10.02000 -2.70000 8.13000 -13.77000 1.45000 6.64000 1.86000 0.00000 0.00000 0.00000 0.08000 0.96000 0.00000 -0.57000 0.00000 -1.68000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_11.PDB 3.47725 -19.73000 -2.35000 -6.80000 -11.25000 -3.66000 10.08000 -14.72000 1.65000 8.65000 1.95000 0.00000 0.00000 0.00000 0.12000 1.20000 0.00000 -1.26000 0.00000 -2.14000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_12.PDB 5.59161 -17.61000 -2.30000 -4.27000 -10.60000 -2.37000 8.21000 -14.53000 1.68000 6.83000 1.70000 0.00000 0.00000 0.00000 0.10000 0.95000 0.00000 -0.58000 0.00000 -1.48000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_13.PDB 4.15028 -16.40000 -2.30000 -4.14000 -9.92000 -2.45000 8.15000 -13.54000 1.28000 6.24000 2.03000 0.00000 0.00000 0.00000 0.08000 0.91000 0.00000 -0.78000 0.00000 -1.06000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_14.PDB 3.38584 -14.82000 -1.54000 -4.88000 -10.57000 -1.91000 8.34000 -14.27000 1.31000 7.67000 2.36000 0.00000 0.00000 0.00000 0.08000 0.79000 0.00000 -0.43000 0.00000 -0.98000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_15.PDB 3.47117 -18.50000 -2.34000 -6.75000 -10.76000 -3.41000 9.77000 -13.91000 1.63000 8.32000 2.24000 0.00000 0.00000 0.00000 0.17000 1.09000 0.00000 -1.51000 0.00000 -1.95000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_16.PDB 3.50325 -16.63000 -2.27000 -4.12000 -10.25000 -2.53000 8.52000 -13.77000 1.26000 6.68000 1.84000 0.00000 0.00000 0.00000 0.05000 0.90000 0.00000 -0.71000 0.00000 -1.33000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_17.PDB 3.34160 -18.27000 -2.33000 -6.33000 -10.39000 -3.08000 9.24000 -13.59000 1.31000 7.90000 2.02000 0.00000 0.00000 0.00000 0.11000 1.13000 0.00000 -1.35000 0.00000 -1.78000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_18.PDB 3.83739 -16.21000 -2.38000 -4.32000 -10.44000 -2.80000 8.80000 -13.82000 1.55000 6.53000 2.69000 0.00000 0.00000 0.00000 0.11000 0.97000 0.00000 -0.72000 0.00000 -1.40000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_19.PDB 4.31757 -16.55000 -2.29000 -4.23000 -10.73000 -2.12000 8.58000 -14.66000 1.89000 6.81000 2.06000 0.00000 0.00000 0.00000 0.08000 0.96000 0.00000 -0.74000 0.00000 -1.19000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_20.PDB 3.57538 -15.86000 -2.32000 -5.56000 -10.51000 -3.05000 9.12000 -14.09000 1.47000 8.08000 3.42000 0.00000 0.00000 0.00000 0.09000 0.95000 0.00000 -0.96000 0.00000 -1.54000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_21.PDB 4.28351 -16.57000 -2.32000 -4.21000 -10.44000 -2.74000 8.81000 -14.02000 1.64000 6.62000 1.90000 0.00000 0.00000 0.00000 0.08000 0.95000 0.00000 -0.68000 0.00000 -1.22000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_22.PDB 4.16466 -15.66000 -1.52000 -4.57000 -10.24000 -2.26000 7.86000 -14.07000 1.66000 7.79000 2.19000 0.00000 0.00000 0.00000 0.10000 0.89000 0.00000 -1.21000 0.00000 -1.39000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_23.PDB 3.65962 -17.11000 -2.36000 -5.76000 -10.18000 -2.18000 8.16000 -13.72000 1.44000 7.04000 2.20000 0.00000 0.00000 0.00000 0.20000 0.96000 0.00000 -0.80000 0.00000 -1.15000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_24.PDB 4.13318 -18.06000 -2.30000 -6.85000 -10.70000 -3.35000 9.27000 -14.24000 1.50000 8.88000 2.83000 0.00000 0.00000 0.00000 0.20000 1.01000 0.00000 -1.20000 0.00000 -2.10000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_25.PDB 4.92399 -17.61000 -2.32000 -4.28000 -10.28000 -2.99000 8.53000 -13.70000 1.62000 6.42000 1.76000 0.00000 0.00000 0.00000 0.03000 1.06000 0.00000 -0.70000 0.00000 -1.68000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_26.PDB 3.99124 -16.98000 -2.31000 -4.28000 -10.42000 -2.65000 8.17000 -14.11000 1.51000 6.89000 2.12000 0.00000 0.00000 0.00000 0.41000 1.06000 0.00000 -0.88000 0.00000 -1.45000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_27.PDB 3.16398 -17.64000 -2.33000 -5.96000 -10.33000 -2.48000 8.73000 -13.90000 1.26000 7.84000 1.72000 0.00000 0.00000 0.00000 0.07000 1.00000 0.00000 -0.98000 0.00000 -1.28000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_28.PDB 4.50375 -15.35000 -0.63000 -3.34000 -10.37000 -3.23000 8.13000 -14.02000 2.07000 6.37000 1.39000 0.00000 0.00000 0.00000 0.05000 0.99000 0.00000 -0.26000 0.00000 -1.53000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_29.PDB 3.06116 -15.55000 -0.65000 -5.31000 -10.32000 -3.58000 8.49000 -13.91000 1.55000 8.06000 1.98000 0.00000 0.00000 0.00000 0.03000 0.90000 0.00000 -0.28000 0.00000 -1.61000 0.00000 2.38000 68.00000 BEM1-D2_1GCQ-29_30.PDB 5.99443 -16.76000 -2.28000 -4.23000 -10.48000 -2.46000 8.43000 -14.00000 1.78000 6.52000 1.79000 0.00000 0.00000 0.00000 0.18000 1.02000 0.00000 -0.73000 0.00000 -1.29000 0.00000 2.38000 68.00000