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 BOI1_1YCS-23_1.PDB 4.16299 -6.41000 -0.71000 -2.37000 -7.12000 -0.07000 5.02000 -10.55000 3.52000 4.13000 2.20000 0.00000 0.00000 0.00000 0.02000 0.50000 0.00000 -0.43000 0.00000 -0.04000 0.00000 2.38000 67.00000 BOI1_1YCS-23_2.PDB 3.97259 -7.43000 -0.72000 -2.36000 -7.03000 -0.06000 5.21000 -9.96000 1.25000 4.13000 2.38000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.30000 0.00000 -0.04000 0.00000 2.38000 67.00000 BOI1_1YCS-23_3.PDB 4.17283 -7.65000 -0.74000 -2.43000 -6.82000 -0.08000 5.05000 -9.93000 1.41000 3.86000 2.33000 0.00000 0.00000 0.00000 0.09000 0.41000 0.00000 -0.34000 0.00000 -0.06000 0.00000 2.38000 67.00000 BOI1_1YCS-23_4.PDB 4.28665 -7.49000 -0.74000 -0.63000 -7.48000 -0.07000 5.27000 -11.08000 1.54000 3.52000 2.46000 0.00000 0.00000 0.00000 0.08000 0.54000 0.00000 -0.30000 0.00000 -0.06000 0.00000 2.38000 67.00000 BOI1_1YCS-23_5.PDB 3.64652 -7.25000 -0.73000 -0.85000 -8.37000 -0.09000 5.53000 -12.07000 2.59000 4.01000 2.94000 0.00000 0.00000 0.00000 0.08000 0.69000 0.00000 -0.23000 0.00000 -0.07000 0.00000 2.38000 67.00000 BOI1_1YCS-23_6.PDB 4.10577 -6.87000 -0.73000 -0.63000 -7.36000 -0.07000 5.12000 -10.84000 2.00000 3.40000 2.35000 0.00000 0.00000 0.00000 0.13000 0.55000 0.00000 -0.19000 0.00000 -0.05000 0.00000 2.38000 67.00000 BOI1_1YCS-23_7.PDB 4.58456 -6.14000 -1.38000 -3.04000 -6.66000 -0.08000 5.48000 -9.32000 2.11000 4.37000 2.73000 0.00000 0.00000 0.00000 0.02000 0.39000 0.00000 -0.34000 0.00000 -0.04000 0.00000 2.38000 67.00000 BOI1_1YCS-23_8.PDB 4.33364 -6.87000 -0.74000 -2.36000 -6.60000 -0.08000 5.04000 -9.35000 1.58000 3.79000 2.11000 0.00000 0.00000 0.00000 0.06000 0.49000 0.00000 -0.27000 0.00000 -0.06000 0.00000 2.38000 67.00000 BOI1_1YCS-23_9.PDB 4.10689 -5.58000 -0.74000 -0.65000 -6.96000 -0.06000 5.02000 -10.15000 2.60000 3.53000 2.07000 0.00000 0.00000 0.00000 0.06000 0.46000 0.00000 -0.26000 0.00000 -0.05000 0.00000 2.38000 67.00000 BOI1_1YCS-23_10.PDB 4.57540 -6.57000 -1.41000 -3.07000 -6.87000 -0.07000 5.68000 -9.57000 1.83000 4.41000 2.73000 0.00000 0.00000 0.00000 0.10000 0.55000 0.00000 -0.27000 0.00000 -0.04000 0.00000 2.38000 67.00000 BOI1_1YCS-23_11.PDB 4.25359 -6.58000 -0.74000 -0.67000 -7.02000 -0.08000 5.28000 -9.91000 1.27000 3.26000 2.27000 0.00000 0.00000 0.00000 0.07000 0.53000 0.00000 -0.24000 0.00000 -0.07000 0.00000 2.38000 67.00000 BOI1_1YCS-23_12.PDB 4.74317 -5.96000 -0.71000 -0.61000 -6.40000 -0.06000 5.10000 -9.12000 0.95000 2.88000 2.17000 0.00000 0.00000 0.00000 0.24000 0.43000 0.00000 -0.35000 0.00000 -0.05000 0.00000 2.38000 67.00000 BOI1_1YCS-23_13.PDB 4.48946 -7.04000 -0.76000 -2.39000 -7.28000 -0.09000 5.23000 -10.42000 1.52000 4.22000 3.18000 0.00000 0.00000 0.00000 0.12000 0.69000 0.00000 -0.31000 0.00000 -0.07000 0.00000 2.38000 67.00000 BOI1_1YCS-23_14.PDB 4.02093 -7.46000 -0.72000 -2.40000 -7.20000 -0.08000 5.30000 -9.98000 1.23000 4.14000 2.54000 0.00000 0.00000 0.00000 0.06000 0.70000 0.00000 -0.29000 0.00000 -0.06000 0.00000 2.38000 67.00000 BOI1_1YCS-23_15.PDB 3.58723 -6.40000 -0.73000 -0.63000 -8.02000 -0.04000 5.62000 -11.45000 2.91000 3.82000 2.43000 0.00000 0.00000 0.00000 0.06000 0.67000 0.00000 -0.35000 0.00000 -0.02000 0.00000 2.38000 67.00000 BOI1_1YCS-23_16.PDB 4.21852 -6.66000 -0.73000 -2.39000 -7.07000 -0.06000 5.16000 -10.01000 2.29000 4.02000 2.37000 0.00000 0.00000 0.00000 0.12000 0.71000 0.00000 -0.30000 0.00000 -0.04000 0.00000 2.38000 67.00000 BOI1_1YCS-23_17.PDB 3.83033 -7.28000 -0.74000 -0.63000 -7.78000 -0.08000 5.55000 -10.86000 1.22000 3.67000 2.72000 0.00000 0.00000 0.00000 0.07000 0.69000 0.00000 -0.34000 0.00000 -0.07000 0.00000 2.38000 67.00000 BOI1_1YCS-23_18.PDB 4.32525 -6.27000 -0.73000 -0.63000 -7.46000 -0.08000 5.50000 -10.47000 1.80000 3.42000 2.64000 0.00000 0.00000 0.00000 0.11000 0.68000 0.00000 -0.31000 0.00000 -0.07000 0.00000 2.38000 67.00000 BOI1_1YCS-23_19.PDB 4.21321 -6.62000 -1.42000 -3.07000 -6.99000 -0.08000 5.80000 -9.20000 1.17000 4.53000 2.96000 0.00000 0.00000 0.00000 0.06000 0.76000 0.00000 -0.32000 0.00000 -0.06000 0.00000 2.38000 67.00000 BOI1_1YCS-23_20.PDB 3.75543 -6.07000 -1.45000 -3.07000 -7.13000 -0.04000 5.72000 -9.81000 2.49000 4.71000 2.86000 0.00000 0.00000 0.00000 0.04000 0.68000 0.00000 -0.40000 0.00000 0.01000 0.00000 2.38000 67.00000 BOI1_1YCS-23_21.PDB 4.79858 -5.22000 -0.76000 -2.39000 -7.00000 -0.09000 6.02000 -9.33000 2.39000 3.84000 2.41000 0.00000 0.00000 0.00000 0.10000 0.62000 0.00000 -0.36000 0.00000 -0.05000 0.00000 2.38000 67.00000 BOI1_1YCS-23_22.PDB 4.82098 -5.95000 -0.73000 -0.63000 -7.29000 -0.07000 5.46000 -10.30000 2.57000 3.44000 2.12000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.50000 0.00000 -0.05000 0.00000 2.38000 67.00000 BOI1_1YCS-23_23.PDB 3.73817 -6.05000 -0.73000 -0.67000 -7.38000 -0.01000 5.57000 -10.16000 1.53000 3.44000 2.70000 0.00000 0.00000 0.00000 0.06000 0.65000 0.00000 -0.43000 0.00000 0.03000 0.00000 2.38000 67.00000 BOI1_1YCS-23_24.PDB 5.30666 -5.87000 -1.88000 -1.84000 -7.93000 -0.10000 6.80000 -10.57000 2.49000 4.85000 2.54000 0.00000 0.00000 0.00000 0.13000 0.80000 0.00000 -0.31000 0.00000 -0.05000 0.00000 2.38000 67.00000 BOI1_1YCS-23_25.PDB 3.89817 -6.93000 -0.74000 -2.39000 -7.13000 -0.07000 5.22000 -10.46000 2.41000 4.15000 2.46000 0.00000 0.00000 0.00000 0.08000 0.57000 0.00000 -0.34000 0.00000 -0.10000 0.00000 2.38000 67.00000 BOI1_1YCS-23_26.PDB 3.71309 -7.17000 -0.74000 -1.58000 -7.20000 -0.09000 5.20000 -10.54000 1.49000 4.01000 2.40000 0.00000 0.00000 0.00000 0.26000 0.61000 0.00000 -0.36000 0.00000 -0.02000 0.00000 2.38000 67.00000 BOI1_1YCS-23_27.PDB 3.99536 -7.44000 -0.74000 -2.36000 -7.24000 -0.08000 5.43000 -10.24000 1.31000 4.17000 2.54000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.29000 0.00000 -0.01000 0.00000 2.38000 67.00000 BOI1_1YCS-23_28.PDB 3.70238 -6.64000 -0.69000 -2.35000 -6.83000 -0.05000 5.28000 -9.85000 1.31000 3.84000 3.01000 0.00000 0.00000 0.00000 0.09000 0.50000 0.00000 -0.45000 0.00000 0.06000 0.00000 2.38000 67.00000 BOI1_1YCS-23_29.PDB 3.32683 -7.83000 -0.74000 -0.65000 -7.52000 -0.28000 5.19000 -11.10000 1.21000 4.14000 2.50000 0.00000 0.00000 0.00000 0.05000 0.51000 0.00000 -0.26000 0.00000 -0.38000 0.00000 2.38000 67.00000 BOI1_1YCS-23_30.PDB 3.79618 -7.49000 -0.74000 -0.63000 -7.77000 -0.04000 5.32000 -11.39000 1.61000 4.06000 2.27000 0.00000 0.00000 0.00000 0.05000 0.64000 0.00000 -0.22000 0.00000 -0.01000 0.00000 2.38000 67.00000