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 BOI2_1YCS-13_1.PDB 6.57312 -6.61000 -0.13000 -1.84000 -7.82000 -1.41000 7.43000 -11.15000 1.75000 5.26000 2.52000 0.00000 0.00000 0.00000 0.47000 0.65000 0.00000 -0.36000 0.00000 -1.32000 0.00000 2.38000 68.00000 BOI2_1YCS-13_2.PDB 5.76015 -5.43000 -0.10000 -1.82000 -7.35000 -1.79000 7.91000 -10.13000 1.62000 5.18000 2.75000 0.00000 0.00000 0.00000 0.41000 0.63000 0.00000 -0.43000 0.00000 -1.68000 0.00000 2.38000 68.00000 BOI2_1YCS-13_3.PDB 5.04677 -6.60000 -0.10000 -1.79000 -8.69000 -1.23000 7.54000 -12.48000 2.87000 5.70000 2.64000 0.00000 0.00000 0.00000 0.31000 0.54000 0.00000 -0.26000 0.00000 -1.10000 0.00000 2.38000 68.00000 BOI2_1YCS-13_4.PDB 6.85107 -6.82000 -0.10000 -1.80000 -8.20000 -1.76000 8.12000 -11.37000 1.67000 5.60000 2.62000 0.00000 0.00000 0.00000 0.47000 0.60000 0.00000 -0.36000 0.00000 -1.70000 0.00000 2.38000 68.00000 BOI2_1YCS-13_5.PDB 6.02113 -5.30000 -0.10000 -1.81000 -7.33000 -1.01000 7.13000 -10.35000 1.52000 5.02000 2.29000 0.00000 0.00000 0.00000 0.49000 0.57000 0.00000 -0.20000 0.00000 -0.95000 0.00000 2.38000 68.00000 BOI2_1YCS-13_6.PDB 6.20970 -5.41000 -0.10000 -1.80000 -7.89000 -1.28000 8.12000 -11.08000 1.71000 5.37000 2.70000 0.00000 0.00000 0.00000 0.46000 0.66000 0.00000 -0.36000 0.00000 -1.27000 0.00000 2.38000 68.00000 BOI2_1YCS-13_7.PDB 7.40484 -6.01000 -0.10000 -1.81000 -8.44000 -1.26000 8.16000 -11.95000 1.95000 5.61000 2.85000 0.00000 0.00000 0.00000 0.63000 0.83000 0.00000 -0.42000 0.00000 -1.24000 0.00000 2.38000 68.00000 BOI2_1YCS-13_8.PDB 6.35846 -6.13000 -0.10000 -1.73000 -8.01000 -1.65000 8.35000 -11.10000 1.59000 5.42000 2.73000 0.00000 0.00000 0.00000 0.42000 0.68000 0.00000 -0.42000 0.00000 -1.63000 0.00000 2.38000 68.00000 BOI2_1YCS-13_9.PDB 6.07576 -5.51000 -0.10000 -0.84000 -8.00000 -1.29000 7.81000 -11.23000 1.66000 5.27000 2.49000 0.00000 0.00000 0.00000 0.40000 0.71000 0.00000 -0.26000 0.00000 -1.41000 0.00000 2.38000 68.00000 BOI2_1YCS-13_10.PDB 5.65730 -6.76000 -0.10000 -1.81000 -8.03000 -1.98000 8.53000 -10.65000 1.30000 5.40000 2.19000 0.00000 0.00000 0.00000 0.35000 0.92000 0.00000 -0.49000 0.00000 -1.48000 0.00000 2.38000 68.00000 BOI2_1YCS-13_11.PDB 5.82993 -6.50000 -0.10000 -1.80000 -7.87000 -2.31000 8.65000 -10.06000 1.47000 5.60000 2.09000 0.00000 0.00000 0.00000 0.30000 0.88000 0.00000 -0.46000 0.00000 -2.00000 0.00000 2.38000 68.00000 BOI2_1YCS-13_12.PDB 4.78192 -4.72000 -0.05000 -0.78000 -8.42000 -1.02000 7.23000 -12.40000 4.19000 4.93000 2.59000 0.00000 0.00000 0.00000 0.33000 0.75000 0.00000 -0.36000 0.00000 -0.97000 0.00000 2.38000 68.00000 BOI2_1YCS-13_13.PDB 6.89124 -6.02000 -0.12000 -1.83000 -8.12000 -1.33000 7.93000 -11.53000 1.77000 5.55000 2.57000 0.00000 0.00000 0.00000 0.49000 0.63000 0.00000 -0.12000 0.00000 -1.30000 0.00000 2.38000 68.00000 BOI2_1YCS-13_14.PDB 6.03187 -6.60000 -0.10000 -1.79000 -8.61000 -1.36000 8.28000 -12.27000 1.99000 5.92000 2.66000 0.00000 0.00000 0.00000 0.41000 0.87000 0.00000 -0.54000 0.00000 -1.18000 0.00000 2.38000 68.00000 BOI2_1YCS-13_15.PDB 7.47038 -6.01000 -0.10000 -0.83000 -8.64000 -1.26000 8.07000 -12.33000 1.84000 5.28000 2.89000 0.00000 0.00000 0.00000 0.73000 0.76000 0.00000 -0.47000 0.00000 -1.17000 0.00000 2.38000 68.00000 BOI2_1YCS-13_16.PDB 6.37912 -6.52000 -0.19000 -1.90000 -8.23000 -1.55000 7.95000 -11.59000 1.94000 6.04000 2.59000 0.00000 0.00000 0.00000 0.34000 0.72000 0.00000 -0.40000 0.00000 -1.53000 0.00000 2.38000 68.00000 BOI2_1YCS-13_17.PDB 6.33591 -7.03000 -0.10000 -1.80000 -8.08000 -1.38000 7.35000 -11.33000 1.76000 5.37000 2.60000 0.00000 0.00000 0.00000 0.45000 0.77000 0.00000 -0.30000 0.00000 -1.55000 0.00000 2.38000 68.00000 BOI2_1YCS-13_18.PDB 6.23640 -6.56000 -0.10000 -1.80000 -8.37000 -1.70000 8.39000 -11.67000 1.87000 5.73000 2.54000 0.00000 0.00000 0.00000 0.41000 0.70000 0.00000 -0.21000 0.00000 -1.64000 0.00000 2.38000 68.00000 BOI2_1YCS-13_19.PDB 4.78778 -6.89000 -0.13000 -1.77000 -8.25000 -1.93000 8.57000 -10.97000 1.68000 5.52000 2.08000 0.00000 0.00000 0.00000 0.28000 0.73000 0.00000 -0.52000 0.00000 -1.45000 0.00000 2.38000 68.00000 BOI2_1YCS-13_20.PDB 6.06307 -6.56000 -0.10000 -1.73000 -7.99000 -0.88000 7.01000 -11.50000 1.93000 5.13000 2.40000 0.00000 0.00000 0.00000 0.39000 0.83000 0.00000 -0.34000 0.00000 -0.88000 0.00000 2.38000 68.00000 BOI2_1YCS-13_21.PDB 6.56446 -5.93000 -0.10000 -1.80000 -8.19000 -1.50000 8.32000 -11.32000 1.81000 5.92000 2.51000 0.00000 0.00000 0.00000 0.40000 0.72000 0.00000 -0.40000 0.00000 -1.59000 0.00000 2.38000 68.00000 BOI2_1YCS-13_22.PDB 6.68988 -7.10000 -0.19000 -1.90000 -8.57000 -1.40000 7.82000 -12.33000 2.24000 5.77000 2.72000 0.00000 0.00000 0.00000 0.38000 0.78000 0.00000 -0.39000 0.00000 -1.27000 0.00000 2.38000 68.00000 BOI2_1YCS-13_23.PDB 6.60669 -6.60000 -0.13000 -1.84000 -8.28000 -1.28000 7.80000 -11.86000 1.77000 5.34000 2.83000 0.00000 0.00000 0.00000 0.59000 0.83000 0.00000 -0.44000 0.00000 -1.12000 0.00000 2.38000 68.00000 BOI2_1YCS-13_24.PDB 5.12199 -6.58000 -0.10000 -1.82000 -8.42000 -2.47000 9.20000 -10.78000 1.84000 5.98000 2.22000 0.00000 0.00000 0.00000 0.26000 0.88000 0.00000 -0.46000 0.00000 -2.03000 0.00000 2.38000 68.00000 BOI2_1YCS-13_25.PDB 6.69282 -4.37000 -0.12000 -1.80000 -7.68000 -1.01000 7.24000 -10.90000 2.91000 5.07000 2.56000 0.00000 0.00000 0.00000 0.64000 0.74000 0.00000 -0.33000 0.00000 -0.94000 0.00000 2.38000 68.00000 BOI2_1YCS-13_26.PDB 5.16211 -5.23000 -0.10000 -1.82000 -7.60000 -1.42000 7.27000 -10.80000 2.94000 5.12000 2.66000 0.00000 0.00000 0.00000 0.25000 0.56000 0.00000 -0.27000 0.00000 -1.46000 0.00000 2.38000 68.00000 BOI2_1YCS-13_27.PDB 5.83147 -6.24000 -0.10000 -1.80000 -8.08000 -1.12000 7.44000 -11.53000 1.87000 5.22000 2.84000 0.00000 0.00000 0.00000 0.41000 0.82000 0.00000 -0.43000 0.00000 -0.95000 0.00000 2.38000 68.00000 BOI2_1YCS-13_28.PDB 6.52800 -5.38000 -0.06000 -1.76000 -8.21000 -1.65000 8.35000 -11.50000 2.86000 5.57000 2.67000 0.00000 0.00000 0.00000 0.42000 0.73000 0.00000 -0.45000 0.00000 -1.62000 0.00000 2.38000 68.00000 BOI2_1YCS-13_29.PDB 6.20216 -7.28000 -0.10000 -1.81000 -8.18000 -2.45000 8.96000 -11.18000 1.88000 5.59000 2.58000 0.00000 0.00000 0.00000 0.39000 0.80000 0.00000 -0.35000 0.00000 -2.59000 0.00000 2.38000 68.00000 BOI2_1YCS-13_30.PDB 4.83325 -3.55000 -0.06000 -1.77000 -7.32000 -1.83000 8.31000 -9.36000 2.49000 5.17000 1.92000 0.00000 0.00000 0.00000 0.36000 0.70000 0.00000 -0.13000 0.00000 -1.34000 0.00000 2.38000 68.00000