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-21_1.PDB 5.45136 -4.01000 -1.10000 -2.02000 -6.21000 0.04000 6.60000 -8.56000 2.10000 4.83000 1.11000 0.00000 0.00000 0.00000 0.30000 1.26000 0.00000 -0.65000 0.00000 -0.44000 0.00000 2.38000 70.00000 BOI2_1YCS-21_2.PDB 5.12175 -3.06000 -0.97000 -4.05000 -7.72000 -1.47000 10.19000 -10.50000 4.18000 6.53000 1.49000 0.00000 0.00000 0.00000 1.07000 1.27000 0.00000 -0.95000 0.00000 -0.85000 0.00000 2.38000 70.00000 BOI2_1YCS-21_3.PDB 5.64409 -5.33000 -0.78000 -2.31000 -7.23000 -1.31000 8.04000 -10.01000 2.63000 6.13000 0.95000 0.00000 0.00000 0.00000 0.43000 1.40000 0.00000 -0.57000 0.00000 -1.30000 0.00000 2.38000 70.00000 BOI2_1YCS-21_4.PDB 7.23833 -3.09000 -1.16000 -2.08000 -7.53000 -2.47000 10.89000 -9.76000 2.81000 6.64000 1.22000 0.00000 0.00000 0.00000 0.95000 1.21000 0.00000 -1.01000 0.00000 -1.58000 0.00000 2.38000 70.00000 BOI2_1YCS-21_5.PDB 8.18285 -4.58000 -2.78000 -4.85000 -8.27000 -1.88000 13.28000 -10.20000 2.03000 8.45000 1.65000 0.00000 0.00000 0.00000 0.16000 1.48000 0.00000 -0.94000 0.00000 -1.22000 0.00000 2.38000 70.00000 BOI2_1YCS-21_6.PDB 4.87960 -6.14000 -1.21000 -2.04000 -6.28000 -0.33000 7.01000 -8.38000 0.89000 5.15000 0.86000 0.00000 0.00000 0.00000 0.23000 1.27000 0.00000 -1.25000 0.00000 -0.81000 0.00000 2.38000 70.00000 BOI2_1YCS-21_7.PDB 5.38292 -5.71000 -1.13000 -2.88000 -6.60000 -0.57000 7.50000 -9.07000 1.04000 6.13000 1.50000 0.00000 0.00000 0.00000 0.21000 1.41000 0.00000 -0.93000 0.00000 -0.90000 0.00000 2.38000 70.00000 BOI2_1YCS-21_8.PDB 4.20819 -3.08000 -1.22000 -3.35000 -7.65000 -1.55000 10.73000 -10.26000 2.84000 7.15000 1.51000 0.00000 0.00000 0.00000 0.33000 1.11000 0.00000 -0.60000 0.00000 -1.02000 0.00000 2.38000 70.00000 BOI2_1YCS-21_9.PDB 5.15205 -5.09000 -1.42000 -2.91000 -6.11000 -0.65000 6.93000 -8.21000 1.88000 5.89000 1.23000 0.00000 0.00000 0.00000 0.22000 1.19000 0.00000 -1.02000 0.00000 -0.92000 0.00000 2.38000 70.00000 BOI2_1YCS-21_10.PDB 7.57745 -4.50000 -0.99000 -2.26000 -7.17000 -1.99000 9.65000 -9.42000 3.30000 5.40000 0.96000 0.00000 0.00000 0.00000 0.26000 1.11000 0.00000 -0.87000 0.00000 -1.38000 0.00000 2.38000 70.00000 BOI2_1YCS-21_11.PDB 5.90950 -4.74000 -1.04000 -1.87000 -6.06000 -0.63000 6.23000 -8.48000 2.91000 4.65000 1.04000 0.00000 0.00000 0.00000 0.21000 1.22000 0.00000 -0.81000 0.00000 -0.89000 0.00000 2.38000 70.00000 BOI2_1YCS-21_12.PDB 5.90100 -6.78000 -1.98000 -4.34000 -7.07000 -0.97000 9.08000 -8.75000 0.83000 7.48000 1.03000 0.00000 0.00000 0.00000 0.40000 1.33000 0.00000 -1.41000 0.00000 -1.08000 0.00000 2.38000 70.00000 BOI2_1YCS-21_13.PDB 7.18196 -1.75000 -1.18000 -1.91000 -7.47000 -2.27000 10.35000 -9.88000 4.04000 6.25000 1.20000 0.00000 0.00000 0.00000 1.05000 1.25000 0.00000 -0.50000 0.00000 -1.44000 0.00000 2.38000 70.00000 BOI2_1YCS-21_14.PDB 5.21956 -2.98000 -1.74000 -3.19000 -7.98000 -1.35000 11.67000 -10.31000 2.82000 6.99000 1.40000 0.00000 0.00000 0.00000 0.31000 1.50000 0.00000 -0.90000 0.00000 -0.68000 0.00000 2.38000 70.00000 BOI2_1YCS-21_15.PDB 7.34938 -4.39000 -1.00000 -2.35000 -6.07000 -0.77000 6.22000 -8.78000 1.39000 6.45000 1.69000 0.00000 0.00000 0.00000 0.80000 1.49000 0.00000 -1.03000 0.00000 -0.92000 0.00000 2.38000 70.00000 BOI2_1YCS-21_16.PDB 6.44775 -4.01000 -1.39000 -3.90000 -7.57000 -1.83000 11.00000 -10.03000 2.69000 7.40000 1.52000 0.00000 0.00000 0.00000 0.20000 1.18000 0.00000 -0.96000 0.00000 -1.14000 0.00000 2.38000 70.00000 BOI2_1YCS-21_17.PDB 5.01966 -3.11000 -1.93000 -4.64000 -8.46000 -1.85000 12.63000 -10.79000 3.05000 8.84000 1.78000 0.00000 0.00000 0.00000 0.44000 1.61000 0.00000 -0.98000 0.00000 -1.21000 0.00000 2.38000 70.00000 BOI2_1YCS-21_18.PDB 7.74414 -3.27000 -1.19000 -2.60000 -6.83000 -0.79000 7.98000 -9.62000 1.92000 7.21000 1.52000 0.00000 0.00000 0.00000 0.74000 1.35000 0.00000 -0.71000 0.00000 -0.89000 0.00000 2.38000 70.00000 BOI2_1YCS-21_19.PDB 6.69157 -3.62000 -1.13000 -1.99000 -7.20000 -1.76000 10.21000 -9.48000 2.86000 6.16000 0.87000 0.00000 0.00000 0.00000 0.35000 1.13000 0.00000 -1.27000 0.00000 -1.24000 0.00000 2.38000 70.00000 BOI2_1YCS-21_20.PDB 9.02037 -2.37000 -1.22000 -3.26000 -6.85000 -1.86000 9.70000 -9.10000 4.93000 5.62000 1.11000 0.00000 0.00000 0.00000 0.21000 0.84000 0.00000 -0.50000 0.00000 -1.15000 0.00000 2.38000 70.00000 BOI2_1YCS-21_21.PDB 8.60365 -3.45000 -0.97000 -1.05000 -6.18000 -0.96000 6.84000 -8.39000 1.75000 5.39000 1.06000 0.00000 0.00000 0.00000 0.69000 1.30000 0.00000 -0.60000 0.00000 -1.03000 0.00000 2.38000 70.00000 BOI2_1YCS-21_22.PDB 6.62548 -5.35000 -2.09000 -2.86000 -6.96000 -1.22000 9.40000 -8.60000 1.40000 6.46000 1.31000 0.00000 0.00000 0.00000 0.20000 1.60000 0.00000 -1.05000 0.00000 -1.36000 0.00000 2.38000 70.00000 BOI2_1YCS-21_23.PDB 5.90383 -5.16000 -1.20000 -2.21000 -6.28000 -0.63000 7.76000 -8.23000 1.00000 5.27000 0.72000 0.00000 0.00000 0.00000 0.29000 1.31000 0.00000 -0.75000 0.00000 -0.89000 0.00000 2.38000 70.00000 BOI2_1YCS-21_24.PDB 7.03356 -3.26000 -1.11000 -3.55000 -7.75000 -1.69000 11.26000 -10.01000 2.22000 6.45000 1.40000 0.00000 0.00000 0.00000 1.20000 1.68000 0.00000 -0.64000 0.00000 -1.04000 0.00000 2.38000 70.00000 BOI2_1YCS-21_25.PDB 7.94078 -0.19000 -1.23000 -2.90000 -7.30000 -2.04000 10.83000 -9.75000 4.03000 7.67000 1.72000 0.00000 0.00000 0.00000 0.85000 1.19000 0.00000 -0.78000 0.00000 -1.30000 0.00000 2.38000 70.00000 BOI2_1YCS-21_26.PDB 6.96231 -4.26000 -0.95000 -3.58000 -7.29000 -1.33000 9.97000 -10.13000 1.87000 6.72000 1.77000 0.00000 0.00000 0.00000 0.29000 1.07000 0.00000 -0.76000 0.00000 -0.84000 0.00000 2.38000 70.00000 BOI2_1YCS-21_27.PDB 7.59033 -3.27000 -1.16000 -2.48000 -6.45000 -0.66000 7.21000 -9.19000 1.68000 6.63000 1.54000 0.00000 0.00000 0.00000 0.79000 1.34000 0.00000 -0.42000 0.00000 -0.76000 0.00000 2.38000 70.00000 BOI2_1YCS-21_28.PDB 5.08865 -6.13000 -1.26000 -2.31000 -6.79000 -0.95000 8.13000 -9.06000 1.29000 5.84000 0.92000 0.00000 0.00000 0.00000 0.11000 1.25000 0.00000 -0.88000 0.00000 -1.18000 0.00000 2.38000 70.00000 BOI2_1YCS-21_29.PDB 6.64585 -4.10000 -1.16000 -2.21000 -7.49000 -2.15000 10.21000 -9.76000 3.55000 5.71000 1.07000 0.00000 0.00000 0.00000 0.40000 1.09000 0.00000 -0.83000 0.00000 -1.43000 0.00000 2.38000 70.00000 BOI2_1YCS-21_30.PDB 6.53674 -2.18000 -1.98000 -3.66000 -8.03000 -1.21000 12.15000 -10.40000 2.60000 8.45000 1.73000 0.00000 0.00000 0.00000 0.39000 1.37000 0.00000 -1.18000 0.00000 -1.04000 0.00000 2.38000 70.00000