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-D1_JO8-QCF-26_1.PDB 3.38739 -6.72000 -0.92000 -3.44000 -6.91000 -0.71000 7.08000 -9.10000 1.25000 4.55000 2.65000 0.00000 0.00000 0.00000 0.05000 0.18000 0.00000 -0.61000 0.00000 -0.60000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_2.PDB 3.42625 -7.20000 -1.14000 -3.50000 -6.66000 -0.89000 7.08000 -8.65000 1.14000 4.32000 2.36000 0.00000 0.00000 0.00000 0.04000 0.24000 0.00000 -0.51000 0.00000 -0.80000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_3.PDB 3.71980 -6.25000 -0.62000 -3.13000 -6.82000 -0.72000 7.10000 -8.92000 1.19000 4.53000 2.34000 0.00000 0.00000 0.00000 0.04000 0.21000 0.00000 -0.62000 0.00000 -0.62000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_4.PDB 3.51695 -6.38000 -0.62000 -3.15000 -7.13000 -0.66000 7.54000 -9.42000 1.16000 4.59000 2.56000 0.00000 0.00000 0.00000 0.04000 0.20000 0.00000 -0.73000 0.00000 -0.58000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_5.PDB 3.58701 -6.86000 -0.99000 -3.53000 -6.54000 -0.64000 6.71000 -8.62000 1.18000 4.37000 2.31000 0.00000 0.00000 0.00000 0.05000 0.24000 0.00000 -0.62000 0.00000 -0.52000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_6.PDB 3.61952 -7.22000 -1.11000 -3.58000 -7.03000 -0.76000 7.50000 -9.20000 1.08000 4.59000 2.61000 0.00000 0.00000 0.00000 0.05000 0.23000 0.00000 -0.69000 0.00000 -0.68000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_7.PDB 3.41132 -6.86000 -0.87000 -2.53000 -6.45000 -0.28000 5.84000 -8.75000 1.36000 3.19000 2.04000 0.00000 0.00000 0.00000 0.02000 0.23000 0.00000 -0.23000 0.00000 -0.20000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_8.PDB 4.28850 -6.79000 -0.99000 -3.50000 -7.05000 -0.64000 7.19000 -9.31000 1.37000 4.60000 2.50000 0.00000 0.00000 0.00000 0.06000 0.17000 0.00000 -0.50000 0.00000 -0.51000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_9.PDB 3.45914 -6.75000 -0.88000 -2.48000 -6.55000 -0.50000 6.17000 -8.81000 1.53000 3.32000 2.13000 0.00000 0.00000 0.00000 0.02000 0.30000 0.00000 -0.25000 0.00000 -0.43000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_10.PDB 3.69944 -7.21000 -0.67000 -3.09000 -6.97000 -0.80000 7.23000 -9.11000 0.35000 4.52000 2.53000 0.00000 0.00000 0.00000 0.03000 0.18000 0.00000 -0.56000 0.00000 -0.68000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_11.PDB 3.62218 -7.59000 -1.12000 -2.77000 -7.25000 -0.39000 6.60000 -9.76000 1.26000 3.76000 2.86000 0.00000 0.00000 0.00000 0.01000 0.27000 0.00000 -0.50000 0.00000 -0.28000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_12.PDB 3.61691 -6.84000 -1.11000 -3.66000 -6.86000 -0.79000 7.08000 -8.97000 1.10000 4.65000 3.10000 0.00000 0.00000 0.00000 0.04000 0.16000 0.00000 -0.76000 0.00000 -0.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_13.PDB 3.39612 -7.50000 -1.00000 -2.61000 -6.62000 -0.47000 6.10000 -8.95000 1.29000 3.30000 2.19000 0.00000 0.00000 0.00000 0.02000 0.28000 0.00000 -0.34000 0.00000 -0.40000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_14.PDB 3.57082 -6.60000 -0.68000 -3.15000 -6.77000 -0.85000 7.22000 -8.80000 0.47000 4.46000 2.79000 0.00000 0.00000 0.00000 0.03000 0.09000 0.00000 -0.55000 0.00000 -0.76000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_15.PDB 3.70908 -6.03000 -0.45000 -2.77000 -6.59000 -0.76000 6.72000 -8.61000 0.72000 4.34000 2.13000 0.00000 0.00000 0.00000 0.06000 0.24000 0.00000 -0.19000 0.00000 -0.63000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_16.PDB 3.39475 -7.44000 -1.14000 -2.79000 -6.69000 -0.36000 6.23000 -8.94000 1.21000 3.41000 2.24000 0.00000 0.00000 0.00000 0.02000 0.25000 0.00000 -0.39000 0.00000 -0.24000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_17.PDB 3.65067 -7.64000 -1.15000 -3.48000 -7.07000 -0.70000 7.30000 -9.29000 1.07000 4.43000 2.48000 0.00000 0.00000 0.00000 0.05000 0.15000 0.00000 -0.66000 0.00000 -0.62000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_18.PDB 3.47216 -7.33000 -0.92000 -2.58000 -7.11000 -0.30000 6.56000 -9.63000 1.35000 3.60000 2.31000 0.00000 0.00000 0.00000 0.02000 0.16000 0.00000 -0.43000 0.00000 -0.19000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_19.PDB 3.21757 -7.64000 -0.92000 -2.59000 -6.92000 -0.36000 6.37000 -9.40000 1.33000 3.40000 2.17000 0.00000 0.00000 0.00000 0.02000 0.18000 0.00000 -0.43000 0.00000 -0.31000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_20.PDB 3.92677 -6.02000 -1.01000 -3.41000 -6.39000 -0.83000 6.96000 -8.28000 1.38000 4.40000 2.65000 0.00000 0.00000 0.00000 0.05000 0.21000 0.00000 -0.79000 0.00000 -0.75000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_21.PDB 4.43675 -6.32000 -1.06000 -3.46000 -7.20000 -0.94000 7.84000 -9.29000 1.15000 5.01000 3.07000 0.00000 0.00000 0.00000 0.06000 0.23000 0.00000 -0.68000 0.00000 -0.82000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_22.PDB 3.45817 -7.84000 -1.09000 -2.76000 -6.75000 -0.35000 6.32000 -9.07000 1.10000 3.33000 1.96000 0.00000 0.00000 0.00000 0.02000 0.25000 0.00000 -0.26000 0.00000 -0.29000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_23.PDB 3.68255 -7.59000 -1.10000 -3.66000 -6.68000 -0.82000 7.13000 -8.63000 1.07000 4.53000 2.17000 0.00000 0.00000 0.00000 0.06000 0.31000 0.00000 -0.94000 0.00000 -0.73000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_24.PDB 4.38754 -6.57000 -1.05000 -3.56000 -7.42000 -0.72000 7.82000 -9.68000 1.09000 5.03000 3.13000 0.00000 0.00000 0.00000 0.05000 0.18000 0.00000 -0.65000 0.00000 -0.60000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_25.PDB 2.69529 -7.83000 -0.66000 -2.31000 -6.71000 -0.34000 5.81000 -9.06000 0.38000 3.79000 1.79000 0.00000 0.00000 0.00000 0.03000 0.22000 0.00000 -0.31000 0.00000 -0.25000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_26.PDB 4.02641 -6.45000 -0.59000 -3.14000 -6.79000 -0.93000 7.34000 -8.71000 0.33000 4.69000 2.23000 0.00000 0.00000 0.00000 0.08000 0.25000 0.00000 -0.16000 0.00000 -0.80000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_27.PDB 3.58197 -6.84000 -1.08000 -3.62000 -7.24000 -0.81000 7.58000 -9.39000 1.25000 4.84000 2.82000 0.00000 0.00000 0.00000 0.07000 0.24000 0.00000 -0.58000 0.00000 -0.67000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_28.PDB 3.28057 -7.79000 -1.07000 -2.74000 -6.92000 -0.38000 6.40000 -9.34000 1.08000 3.45000 2.31000 0.00000 0.00000 0.00000 0.01000 0.19000 0.00000 -0.29000 0.00000 -0.32000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_29.PDB 3.55450 -7.23000 -1.00000 -2.67000 -7.22000 -0.27000 6.75000 -9.67000 1.45000 3.71000 2.36000 0.00000 0.00000 0.00000 0.01000 0.19000 0.00000 -0.54000 0.00000 -0.16000 0.00000 2.38000 65.00000 BEM1-D1_JO8-QCF-26_30.PDB 3.27433 -6.69000 -1.09000 -3.59000 -7.04000 -0.85000 7.47000 -9.16000 1.18000 4.81000 2.85000 0.00000 0.00000 0.00000 0.06000 0.29000 0.00000 -0.57000 0.00000 -0.77000 0.00000 2.38000 65.00000