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-23_1.PDB 4.22361 -8.79000 -1.49000 -1.57000 -7.28000 -1.57000 5.30000 -10.36000 1.59000 5.42000 3.04000 0.00000 0.00000 0.00000 0.07000 0.98000 0.00000 -0.42000 0.00000 -1.53000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_2.PDB 3.59734 -9.16000 -1.50000 -1.54000 -7.35000 -1.69000 5.21000 -10.46000 1.42000 5.78000 2.88000 0.00000 0.00000 0.00000 0.06000 0.87000 0.00000 -0.42000 0.00000 -1.57000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_3.PDB 3.83538 -8.62000 -1.51000 -1.54000 -7.05000 -1.23000 4.86000 -10.07000 1.15000 5.13000 2.92000 0.00000 0.00000 0.00000 0.06000 0.88000 0.00000 -0.24000 0.00000 -1.08000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_4.PDB 4.18739 -9.16000 -1.50000 -1.45000 -7.31000 -0.84000 4.48000 -10.90000 1.57000 4.92000 3.03000 0.00000 0.00000 0.00000 0.09000 1.02000 0.00000 -0.23000 0.00000 -1.02000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_5.PDB 3.93513 -9.94000 -1.51000 -2.37000 -6.59000 -2.14000 5.19000 -9.06000 0.40000 5.45000 2.81000 0.00000 0.00000 0.00000 0.04000 0.99000 0.00000 -0.27000 0.00000 -1.87000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_6.PDB 3.55310 -8.47000 -1.51000 -1.47000 -6.99000 -0.71000 4.41000 -10.45000 1.50000 4.67000 3.02000 0.00000 0.00000 0.00000 0.07000 0.96000 0.00000 -0.16000 0.00000 -0.85000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_7.PDB 4.34566 -9.51000 -1.55000 -1.53000 -7.05000 -0.38000 4.45000 -10.48000 0.37000 4.70000 2.76000 0.00000 0.00000 0.00000 0.06000 1.01000 0.00000 -0.35000 0.00000 -0.51000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_8.PDB 3.72403 -10.78000 -1.46000 -5.32000 -6.93000 -2.40000 5.94000 -9.41000 0.45000 8.11000 2.70000 0.00000 0.00000 0.00000 0.05000 0.79000 0.00000 -0.56000 0.00000 -1.94000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_9.PDB 4.06575 -8.42000 -1.51000 -1.49000 -7.06000 -0.56000 4.36000 -10.58000 1.43000 4.86000 3.01000 0.00000 0.00000 0.00000 0.07000 0.92000 0.00000 -0.31000 0.00000 -0.63000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_10.PDB 3.13180 -9.49000 -1.56000 -1.51000 -6.99000 -0.40000 4.28000 -10.48000 0.46000 4.59000 2.75000 0.00000 0.00000 0.00000 0.06000 0.91000 0.00000 -0.14000 0.00000 -0.53000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_11.PDB 3.58734 -9.07000 -1.51000 -3.04000 -6.93000 -2.07000 5.74000 -9.51000 0.99000 6.46000 2.96000 0.00000 0.00000 0.00000 0.04000 0.84000 0.00000 -0.56000 0.00000 -1.65000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_12.PDB 3.33254 -8.25000 -1.50000 -1.47000 -6.89000 -0.39000 4.36000 -10.34000 1.05000 4.49000 3.01000 0.00000 0.00000 0.00000 0.06000 0.86000 0.00000 -0.16000 0.00000 -0.47000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_13.PDB 4.60318 -10.11000 -1.52000 -4.13000 -6.72000 -2.24000 5.83000 -9.01000 0.62000 6.24000 2.67000 0.00000 0.00000 0.00000 0.08000 0.95000 0.00000 -0.28000 0.00000 -1.66000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_14.PDB 3.88953 -10.29000 -1.52000 -4.06000 -6.74000 -2.04000 6.07000 -8.98000 0.46000 6.14000 2.43000 0.00000 0.00000 0.00000 0.06000 0.87000 0.00000 -0.69000 0.00000 -1.42000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_15.PDB 4.33075 -9.06000 -0.64000 -3.24000 -6.58000 -2.20000 5.49000 -9.12000 1.33000 5.36000 2.18000 0.00000 0.00000 0.00000 0.08000 0.75000 0.00000 -0.20000 0.00000 -1.51000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_16.PDB 4.14285 -9.05000 -1.53000 -2.15000 -7.44000 -2.02000 5.57000 -10.30000 1.47000 6.09000 3.02000 0.00000 0.00000 0.00000 0.08000 1.02000 0.00000 -0.15000 0.00000 -1.69000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_17.PDB 3.38276 -9.00000 -1.53000 -2.37000 -7.39000 -1.84000 5.71000 -10.21000 1.76000 6.02000 2.81000 0.00000 0.00000 0.00000 0.07000 0.88000 0.00000 -0.57000 0.00000 -1.46000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_18.PDB 3.94907 -8.59000 -1.54000 -2.36000 -7.71000 -1.94000 6.23000 -10.53000 1.63000 6.24000 3.08000 0.00000 0.00000 0.00000 0.07000 0.90000 0.00000 -0.35000 0.00000 -1.42000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_19.PDB 3.77980 -8.39000 -1.48000 -1.51000 -6.93000 -1.24000 4.82000 -9.91000 1.52000 4.94000 2.88000 0.00000 0.00000 0.00000 0.08000 0.98000 0.00000 -0.39000 0.00000 -1.16000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_20.PDB 4.06676 -10.11000 -1.51000 -1.50000 -6.64000 -0.93000 3.97000 -10.06000 0.65000 4.36000 2.90000 0.00000 0.00000 0.00000 0.03000 1.03000 0.00000 -0.26000 0.00000 -1.12000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_21.PDB 3.61300 -9.55000 -1.57000 -1.54000 -6.67000 -1.00000 4.24000 -10.04000 1.18000 4.34000 2.93000 0.00000 0.00000 0.00000 0.06000 1.11000 0.00000 -0.30000 0.00000 -1.19000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_22.PDB 3.49357 -8.35000 -1.49000 -1.55000 -7.07000 -1.12000 5.12000 -10.07000 1.40000 5.02000 2.69000 0.00000 0.00000 0.00000 0.08000 0.91000 0.00000 -0.39000 0.00000 -0.98000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_23.PDB 3.49221 -8.32000 -2.07000 -2.92000 -7.60000 -1.43000 6.39000 -10.31000 1.48000 6.30000 3.03000 0.00000 0.00000 0.00000 0.07000 0.90000 0.00000 -0.31000 0.00000 -0.95000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_24.PDB 4.32123 -9.84000 -1.51000 -1.91000 -6.72000 -0.80000 4.27000 -10.16000 0.33000 4.97000 2.71000 0.00000 0.00000 0.00000 0.05000 0.86000 0.00000 -0.19000 0.00000 -0.89000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_25.PDB 4.20276 -9.56000 -1.49000 -1.83000 -6.59000 -0.69000 3.98000 -9.99000 0.46000 4.65000 2.89000 0.00000 0.00000 0.00000 0.05000 0.91000 0.00000 -0.24000 0.00000 -0.74000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_26.PDB 3.54438 -9.81000 -2.21000 -3.06000 -6.83000 -0.77000 4.53000 -10.16000 0.61000 5.88000 3.02000 0.00000 0.00000 0.00000 0.05000 0.92000 0.00000 -0.08000 0.00000 -0.78000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_27.PDB 3.67500 -9.98000 -1.43000 -1.77000 -6.47000 -0.84000 3.95000 -9.85000 0.23000 4.63000 2.67000 0.00000 0.00000 0.00000 0.05000 0.83000 0.00000 -0.20000 0.00000 -0.94000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_28.PDB 4.58967 -9.64000 -1.52000 -3.27000 -6.62000 -1.03000 4.50000 -9.73000 1.51000 5.05000 2.71000 0.00000 0.00000 0.00000 0.07000 1.04000 0.00000 -0.31000 0.00000 -1.01000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_29.PDB 4.38217 -9.77000 -1.46000 -3.31000 -5.90000 -1.69000 4.90000 -8.25000 0.53000 4.60000 2.56000 0.00000 0.00000 0.00000 0.06000 0.90000 0.00000 -0.34000 0.00000 -1.47000 0.00000 2.38000 65.00000 BEM1-D2_1GCQ-23_30.PDB 3.48844 -9.87000 -1.47000 -3.21000 -6.47000 -0.87000 4.67000 -9.49000 0.37000 4.91000 2.70000 0.00000 0.00000 0.00000 0.06000 0.94000 0.00000 -0.24000 0.00000 -0.83000 0.00000 2.38000 65.00000