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-12_1.PDB 4.66947 -7.86000 -0.67000 -0.72000 -8.63000 0.06000 6.47000 -12.25000 0.90000 4.11000 2.88000 0.00000 0.00000 0.00000 0.36000 0.95000 0.00000 -0.24000 0.00000 -0.12000 0.00000 2.38000 68.00000 BOI1_1YCS-12_2.PDB 4.71285 -7.64000 -0.69000 -0.74000 -8.76000 -0.09000 6.65000 -12.25000 0.97000 4.07000 3.37000 0.00000 0.00000 0.00000 0.58000 1.06000 0.00000 -0.55000 0.00000 -0.22000 0.00000 2.38000 68.00000 BOI1_1YCS-12_3.PDB 4.32984 -7.50000 -0.69000 -0.73000 -8.69000 0.03000 6.43000 -12.25000 0.89000 3.90000 3.38000 0.00000 0.00000 0.00000 0.65000 1.07000 0.00000 -0.32000 0.00000 -0.10000 0.00000 2.38000 68.00000 BOI1_1YCS-12_4.PDB 4.52187 -8.22000 -0.68000 -0.72000 -8.71000 0.05000 6.49000 -12.40000 0.82000 4.09000 2.88000 0.00000 0.00000 0.00000 0.39000 0.93000 0.00000 -0.36000 0.00000 -0.07000 0.00000 2.38000 68.00000 BOI1_1YCS-12_5.PDB 4.42551 -7.27000 -0.69000 -0.74000 -8.63000 -0.17000 6.83000 -12.06000 1.02000 3.95000 3.44000 0.00000 0.00000 0.00000 0.51000 1.08000 0.00000 -0.44000 0.00000 -0.28000 0.00000 2.38000 68.00000 BOI1_1YCS-12_6.PDB 5.26688 -7.25000 -0.68000 -0.73000 -8.41000 0.07000 6.22000 -11.89000 0.88000 3.79000 3.39000 0.00000 0.00000 0.00000 0.45000 1.11000 0.00000 -0.23000 0.00000 -0.09000 0.00000 2.38000 68.00000 BOI1_1YCS-12_7.PDB 4.50708 -7.92000 -0.67000 -0.72000 -8.79000 -0.04000 6.62000 -12.45000 0.80000 4.20000 2.93000 0.00000 0.00000 0.00000 0.56000 0.95000 0.00000 -0.22000 0.00000 -0.14000 0.00000 2.38000 68.00000 BOI1_1YCS-12_8.PDB 4.28547 -6.22000 -0.63000 -0.69000 -8.28000 0.08000 6.03000 -11.78000 1.37000 3.93000 3.79000 0.00000 0.00000 0.00000 0.36000 0.97000 0.00000 -0.25000 0.00000 -0.14000 0.00000 2.38000 68.00000 BOI1_1YCS-12_9.PDB 6.07251 -7.97000 -0.75000 -0.82000 -8.63000 -0.06000 6.34000 -12.31000 0.87000 3.99000 3.44000 0.00000 0.00000 0.00000 0.58000 1.11000 0.00000 -0.46000 0.00000 -0.16000 0.00000 2.38000 68.00000 BOI1_1YCS-12_10.PDB 4.28709 -5.32000 -0.68000 -0.71000 -7.45000 -0.55000 6.31000 -9.47000 0.65000 3.88000 3.46000 0.00000 0.00000 0.00000 0.17000 0.73000 0.00000 -0.49000 0.00000 -0.45000 0.00000 2.38000 68.00000 BOI1_1YCS-12_11.PDB 4.10192 -6.39000 -0.67000 -2.41000 -7.67000 -1.61000 6.98000 -9.42000 1.80000 4.15000 3.41000 0.00000 0.00000 0.00000 0.27000 0.88000 0.00000 -0.62000 0.00000 -0.60000 0.00000 2.38000 68.00000 BOI1_1YCS-12_12.PDB 3.95351 -5.75000 -0.68000 -1.56000 -7.37000 -1.06000 6.51000 -9.29000 0.74000 4.06000 3.49000 0.00000 0.00000 0.00000 0.16000 0.82000 0.00000 -0.31000 0.00000 -0.45000 0.00000 2.38000 68.00000 BOI1_1YCS-12_13.PDB 3.41689 -6.33000 -0.66000 -1.62000 -7.96000 -1.43000 7.23000 -9.75000 0.52000 4.13000 3.59000 0.00000 0.00000 0.00000 0.31000 0.91000 0.00000 -0.26000 0.00000 -0.44000 0.00000 2.38000 68.00000 BOI1_1YCS-12_14.PDB 4.13163 -6.50000 -0.66000 -1.64000 -7.90000 -1.40000 7.02000 -9.76000 0.48000 4.22000 3.59000 0.00000 0.00000 0.00000 0.25000 0.89000 0.00000 -0.27000 0.00000 -0.42000 0.00000 2.38000 68.00000 BOI1_1YCS-12_15.PDB 3.40115 -4.90000 -0.65000 -0.67000 -7.88000 -0.77000 6.77000 -10.12000 1.76000 3.90000 3.20000 0.00000 0.00000 0.00000 0.25000 1.06000 0.00000 -0.19000 0.00000 -0.51000 0.00000 2.38000 68.00000 BOI1_1YCS-12_16.PDB 3.73483 -5.68000 -0.67000 -1.60000 -7.79000 -1.07000 6.81000 -9.91000 1.48000 4.29000 3.58000 0.00000 0.00000 0.00000 0.16000 0.82000 0.00000 -0.43000 0.00000 -0.52000 0.00000 2.38000 68.00000 BOI1_1YCS-12_17.PDB 3.78828 -5.77000 -0.65000 -1.46000 -7.97000 -1.03000 6.96000 -9.96000 1.00000 4.28000 3.55000 0.00000 0.00000 0.00000 0.28000 0.85000 0.00000 -0.36000 0.00000 -0.41000 0.00000 2.38000 68.00000 BOI1_1YCS-12_18.PDB 3.73623 -6.84000 -0.74000 -1.71000 -7.80000 -1.31000 6.77000 -9.76000 0.46000 4.20000 3.56000 0.00000 0.00000 0.00000 0.23000 0.85000 0.00000 -0.30000 0.00000 -0.43000 0.00000 2.38000 68.00000 BOI1_1YCS-12_19.PDB 6.03510 -6.75000 -0.76000 -0.83000 -8.18000 0.03000 6.15000 -11.72000 1.12000 3.88000 3.21000 0.00000 0.00000 0.00000 0.47000 0.93000 0.00000 -0.07000 0.00000 -0.03000 0.00000 2.38000 68.00000 BOI1_1YCS-12_20.PDB 4.48771 -7.76000 -0.77000 -0.84000 -8.40000 0.10000 6.46000 -11.76000 0.74000 3.68000 2.69000 0.00000 0.00000 0.00000 0.52000 1.07000 0.00000 -0.22000 0.00000 0.03000 0.00000 2.38000 68.00000 BOI1_1YCS-12_21.PDB 3.77468 -7.08000 -0.71000 -0.71000 -7.35000 0.07000 5.10000 -10.56000 0.55000 3.35000 3.52000 0.00000 0.00000 0.00000 0.20000 0.54000 0.00000 -0.40000 0.00000 -0.13000 0.00000 2.38000 68.00000 BOI1_1YCS-12_22.PDB 5.47705 -6.01000 -0.62000 -0.66000 -8.41000 0.02000 6.28000 -12.03000 1.78000 3.91000 3.25000 0.00000 0.00000 0.00000 0.58000 1.07000 0.00000 -0.12000 0.00000 -0.01000 0.00000 2.38000 68.00000 BOI1_1YCS-12_23.PDB 3.88190 -7.32000 -0.67000 -0.72000 -7.82000 0.04000 5.88000 -11.30000 0.88000 3.63000 2.86000 0.00000 0.00000 0.00000 0.32000 0.41000 0.00000 -0.29000 0.00000 -0.14000 0.00000 2.38000 68.00000 BOI1_1YCS-12_24.PDB 4.08674 -6.79000 -0.69000 -0.72000 -8.26000 0.11000 6.29000 -11.85000 1.31000 3.89000 3.28000 0.00000 0.00000 0.00000 0.26000 0.55000 0.00000 -0.23000 0.00000 -0.17000 0.00000 2.38000 68.00000 BOI1_1YCS-12_25.PDB 4.99104 -6.93000 -0.69000 -0.71000 -8.25000 0.06000 6.33000 -11.83000 0.97000 3.85000 3.27000 0.00000 0.00000 0.00000 0.42000 0.57000 0.00000 -0.21000 0.00000 -0.14000 0.00000 2.38000 68.00000 BOI1_1YCS-12_26.PDB 4.11105 -7.21000 -0.66000 -0.71000 -7.75000 0.14000 5.83000 -11.21000 0.80000 3.57000 2.85000 0.00000 0.00000 0.00000 0.29000 0.37000 0.00000 -0.29000 0.00000 -0.08000 0.00000 2.38000 68.00000 BOI1_1YCS-12_27.PDB 4.14790 -7.98000 -0.65000 -0.70000 -8.68000 0.03000 6.51000 -12.30000 0.91000 4.01000 2.78000 0.00000 0.00000 0.00000 0.37000 1.04000 0.00000 -0.32000 0.00000 0.05000 0.00000 2.38000 68.00000 BOI1_1YCS-12_28.PDB 5.00889 -6.67000 -0.72000 -0.77000 -7.57000 0.00000 6.06000 -10.85000 0.85000 3.43000 2.77000 0.00000 0.00000 0.00000 0.49000 0.38000 0.00000 -0.22000 0.00000 -0.15000 0.00000 2.38000 68.00000 BOI1_1YCS-12_29.PDB 4.18337 -8.19000 -0.65000 -0.69000 -8.73000 0.10000 6.42000 -12.41000 0.91000 3.98000 2.79000 0.00000 0.00000 0.00000 0.36000 1.09000 0.00000 -0.35000 0.00000 0.08000 0.00000 2.38000 68.00000 BOI1_1YCS-12_30.PDB 4.67641 -7.75000 -0.71000 -0.77000 -8.79000 0.03000 6.75000 -12.35000 1.09000 4.03000 2.74000 0.00000 0.00000 0.00000 0.44000 1.10000 0.00000 -0.25000 0.00000 0.03000 0.00000 2.38000 68.00000