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-11_1.PDB 3.77494 -8.10000 -0.63000 -4.83000 -7.15000 -1.49000 7.63000 -9.26000 0.27000 6.04000 2.70000 0.00000 0.00000 0.00000 0.00000 0.53000 0.00000 -0.34000 0.00000 -1.03000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_2.PDB 4.84230 -7.84000 -0.64000 -3.12000 -7.97000 -2.01000 8.70000 -10.17000 0.50000 5.32000 3.04000 0.00000 0.00000 0.00000 0.13000 0.70000 0.00000 -0.54000 0.00000 -1.08000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_3.PDB 3.81824 -8.29000 -0.63000 -3.02000 -7.01000 -1.07000 6.69000 -9.60000 0.22000 4.74000 2.48000 0.00000 0.00000 0.00000 0.00000 0.64000 0.00000 -0.32000 0.00000 -0.78000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_4.PDB 4.24013 -10.27000 -2.26000 -4.80000 -7.66000 -1.89000 8.59000 -9.49000 0.44000 5.93000 3.37000 0.00000 0.00000 0.00000 0.01000 0.79000 0.00000 -1.24000 0.00000 -1.27000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_5.PDB 5.55061 -9.33000 -2.72000 -5.35000 -8.45000 -2.77000 11.32000 -9.46000 0.56000 6.86000 3.81000 0.00000 0.00000 0.00000 0.17000 0.73000 0.00000 -1.62000 0.00000 -1.67000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_6.PDB 4.13103 -7.93000 -0.64000 -4.03000 -8.33000 -2.64000 9.08000 -10.56000 0.76000 6.50000 3.32000 0.00000 0.00000 0.00000 0.18000 0.79000 0.00000 -0.45000 0.00000 -1.13000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_7.PDB 5.03367 -8.65000 -2.18000 -6.35000 -8.36000 -2.26000 10.27000 -9.90000 0.71000 7.84000 3.79000 0.00000 0.00000 0.00000 0.25000 0.86000 0.00000 -1.24000 0.00000 -1.22000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_8.PDB 3.43166 -8.36000 -0.64000 -4.80000 -6.99000 -1.24000 7.32000 -9.10000 0.18000 5.68000 2.75000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.65000 0.00000 -0.88000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_9.PDB 4.75150 -9.59000 -2.36000 -6.27000 -8.87000 -2.23000 10.77000 -10.58000 0.71000 7.92000 3.86000 0.00000 0.00000 0.00000 0.20000 0.89000 0.00000 -1.69000 0.00000 -1.06000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_10.PDB 3.75373 -7.82000 -0.62000 -2.15000 -6.57000 -0.55000 6.05000 -8.91000 0.23000 3.70000 1.72000 0.00000 0.00000 0.00000 0.00000 0.60000 0.00000 -0.34000 0.00000 -0.38000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_11.PDB 4.03981 -8.59000 -0.63000 -4.84000 -7.00000 -1.43000 7.37000 -9.09000 0.16000 5.81000 2.87000 0.00000 0.00000 0.00000 0.00000 0.57000 0.00000 -0.80000 0.00000 -1.02000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_12.PDB 5.48765 -6.97000 -0.63000 -4.11000 -7.95000 -1.40000 8.84000 -10.00000 0.63000 6.11000 2.99000 0.00000 0.00000 0.00000 0.24000 0.71000 0.00000 -1.11000 0.00000 -0.58000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_13.PDB 4.41178 -8.25000 -1.53000 -5.63000 -8.25000 -2.16000 9.53000 -10.17000 0.61000 7.35000 3.88000 0.00000 0.00000 0.00000 0.16000 0.87000 0.00000 -0.96000 0.00000 -1.08000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_14.PDB 4.33519 -9.96000 -2.34000 -5.15000 -7.89000 -1.79000 9.03000 -9.69000 0.52000 6.33000 3.50000 0.00000 0.00000 0.00000 0.02000 0.63000 0.00000 -1.44000 0.00000 -1.07000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_15.PDB 4.62964 -8.89000 -2.04000 -5.32000 -8.83000 -2.40000 10.64000 -10.61000 0.55000 7.37000 3.91000 0.00000 0.00000 0.00000 0.17000 0.87000 0.00000 -1.18000 0.00000 -1.14000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_16.PDB 3.85175 -8.65000 -0.63000 -4.76000 -6.97000 -1.37000 7.16000 -9.32000 0.29000 5.77000 2.85000 0.00000 0.00000 0.00000 0.02000 0.74000 0.00000 -0.71000 0.00000 -0.98000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_17.PDB 4.47818 -7.54000 -1.12000 -5.18000 -7.40000 -2.17000 9.63000 -8.98000 0.33000 6.58000 3.12000 0.00000 0.00000 0.00000 0.13000 0.58000 0.00000 -1.02000 0.00000 -1.47000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_18.PDB 4.20407 -7.11000 -1.11000 -4.02000 -8.44000 -3.07000 10.99000 -9.64000 0.51000 6.43000 3.49000 0.00000 0.00000 0.00000 0.18000 0.97000 0.00000 -0.49000 0.00000 -1.94000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_19.PDB 4.39461 -7.87000 -0.64000 -3.91000 -8.52000 -2.80000 9.52000 -10.58000 0.64000 6.41000 3.44000 0.00000 0.00000 0.00000 0.26000 1.20000 0.00000 -0.38000 0.00000 -1.30000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_20.PDB 3.85734 -8.04000 -0.64000 -4.74000 -6.77000 -1.13000 7.02000 -9.04000 0.26000 5.60000 2.69000 0.00000 0.00000 0.00000 0.01000 0.37000 0.00000 -0.50000 0.00000 -0.78000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_21.PDB 4.39940 -9.91000 -2.11000 -6.26000 -7.72000 -1.88000 9.06000 -9.33000 0.39000 7.08000 3.48000 0.00000 0.00000 0.00000 0.04000 0.71000 0.00000 -1.48000 0.00000 -1.17000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_22.PDB 5.12550 -7.58000 -0.64000 -4.56000 -7.54000 -2.32000 9.50000 -9.00000 0.43000 5.60000 3.03000 0.00000 0.00000 0.00000 0.13000 0.67000 0.00000 -0.80000 0.00000 -1.41000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_23.PDB 4.65090 -7.86000 -0.63000 -3.82000 -8.36000 -2.55000 9.12000 -10.51000 0.49000 6.56000 3.32000 0.00000 0.00000 0.00000 0.24000 0.88000 0.00000 -0.60000 0.00000 -1.12000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_24.PDB 5.04270 -9.22000 -2.23000 -5.61000 -8.56000 -2.40000 10.16000 -10.20000 1.00000 7.34000 3.83000 0.00000 0.00000 0.00000 0.25000 0.88000 0.00000 -1.61000 0.00000 -1.19000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_25.PDB 3.79276 -7.65000 -0.63000 -2.21000 -6.85000 -0.50000 6.17000 -9.50000 0.55000 4.01000 1.83000 0.00000 0.00000 0.00000 0.00000 0.62000 0.00000 -0.21000 0.00000 -0.31000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_26.PDB 4.06305 -8.43000 -0.63000 -4.74000 -7.19000 -1.30000 7.18000 -9.60000 0.45000 5.96000 2.86000 0.00000 0.00000 0.00000 0.01000 0.56000 0.00000 -0.51000 0.00000 -0.92000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_27.PDB 3.67949 -8.49000 -0.64000 -3.90000 -6.90000 -0.91000 6.71000 -9.16000 0.25000 5.05000 2.17000 0.00000 0.00000 0.00000 0.01000 0.78000 0.00000 -0.55000 0.00000 -0.62000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_28.PDB 4.02833 -8.50000 -2.84000 -5.26000 -8.86000 -2.39000 11.54000 -9.94000 0.42000 7.29000 3.84000 0.00000 0.00000 0.00000 0.17000 0.97000 0.00000 -1.15000 0.00000 -1.32000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_29.PDB 5.30106 -6.55000 -0.64000 -3.20000 -8.31000 -1.86000 8.76000 -10.65000 1.13000 5.86000 3.20000 0.00000 0.00000 0.00000 0.27000 0.95000 0.00000 -0.44000 0.00000 -0.66000 0.00000 2.38000 63.00000 BEM1-D1_JO8-QCF-11_30.PDB 5.51646 -6.86000 -0.64000 -2.30000 -7.78000 -1.47000 8.14000 -10.08000 0.76000 4.69000 2.95000 0.00000 0.00000 0.00000 0.28000 0.82000 0.00000 -0.77000 0.00000 -0.65000 0.00000 2.38000 63.00000