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-23_1.PDB 4.02495 -6.08000 -1.43000 -3.72000 -6.42000 -0.96000 6.99000 -8.72000 0.97000 5.48000 2.61000 0.00000 0.00000 0.00000 0.05000 0.58000 0.00000 -0.28000 0.00000 -0.65000 0.00000 2.38000 67.00000 BOI2_1YCS-23_2.PDB 3.32273 -6.91000 -1.50000 -3.11000 -6.44000 -1.00000 6.00000 -9.13000 1.34000 4.46000 3.05000 0.00000 0.00000 0.00000 0.13000 0.62000 0.00000 -0.09000 0.00000 -0.63000 0.00000 2.38000 67.00000 BOI2_1YCS-23_3.PDB 6.22967 -6.36000 -1.40000 -3.72000 -6.22000 -0.80000 6.54000 -8.56000 0.59000 5.22000 2.70000 0.00000 0.00000 0.00000 0.05000 0.58000 0.00000 -0.23000 0.00000 -0.52000 0.00000 2.38000 67.00000 BOI2_1YCS-23_4.PDB 5.15939 -5.50000 -1.39000 -3.85000 -6.29000 -0.89000 6.51000 -8.64000 1.58000 5.46000 3.14000 0.00000 0.00000 0.00000 0.02000 0.55000 0.00000 -0.53000 0.00000 -0.61000 0.00000 2.38000 67.00000 BOI2_1YCS-23_5.PDB 7.70747 -6.60000 -1.37000 -3.48000 -6.81000 -1.13000 7.06000 -9.56000 0.81000 6.02000 3.24000 0.00000 0.00000 0.00000 0.14000 0.57000 0.00000 -0.70000 0.00000 -0.82000 0.00000 2.38000 67.00000 BOI2_1YCS-23_6.PDB 5.13556 -6.48000 -1.40000 -3.58000 -6.41000 -0.88000 6.68000 -8.87000 0.61000 5.34000 2.82000 0.00000 0.00000 0.00000 0.05000 0.59000 0.00000 -0.22000 0.00000 -0.62000 0.00000 2.38000 67.00000 BOI2_1YCS-23_7.PDB 4.41225 -5.90000 -1.48000 -5.55000 -6.68000 -1.00000 8.92000 -8.70000 1.38000 5.82000 3.03000 0.00000 0.00000 0.00000 0.04000 0.72000 0.00000 -0.83000 0.00000 -0.85000 0.00000 2.38000 67.00000 BOI2_1YCS-23_8.PDB 3.28045 -5.75000 -2.22000 -3.66000 -5.62000 -1.04000 6.24000 -7.57000 1.15000 4.51000 3.04000 0.00000 0.00000 0.00000 0.16000 0.53000 0.00000 -0.08000 0.00000 -0.66000 0.00000 2.38000 67.00000 BOI2_1YCS-23_9.PDB 4.71324 -6.63000 -1.40000 -3.01000 -5.83000 -0.95000 5.43000 -8.15000 0.73000 4.27000 2.87000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.08000 0.00000 -0.57000 0.00000 2.38000 67.00000 BOI2_1YCS-23_10.PDB 4.82085 -7.02000 -1.44000 -2.92000 -5.92000 -0.37000 5.18000 -8.55000 0.57000 4.02000 3.03000 0.00000 0.00000 0.00000 0.04000 0.59000 0.00000 -0.37000 0.00000 -0.29000 0.00000 2.38000 67.00000 BOI2_1YCS-23_11.PDB 5.27555 -7.16000 -1.38000 -2.97000 -6.20000 -1.02000 5.76000 -8.86000 0.67000 4.61000 2.83000 0.00000 0.00000 0.00000 0.10000 0.57000 0.00000 -0.08000 0.00000 -0.62000 0.00000 2.38000 67.00000 BOI2_1YCS-23_12.PDB 3.74933 -4.71000 -1.44000 -1.38000 -6.09000 -0.04000 5.83000 -8.73000 0.93000 3.47000 2.95000 0.00000 0.00000 0.00000 0.06000 0.51000 0.00000 -0.23000 0.00000 -0.04000 0.00000 2.38000 67.00000 BOI2_1YCS-23_13.PDB 7.58540 -5.47000 -1.42000 -3.85000 -6.81000 -1.04000 6.80000 -9.60000 2.16000 6.09000 3.50000 0.00000 0.00000 0.00000 0.09000 0.64000 0.00000 -0.63000 0.00000 -0.75000 0.00000 2.38000 67.00000 BOI2_1YCS-23_14.PDB 4.14128 -5.53000 -1.48000 -2.62000 -6.87000 -1.06000 6.71000 -9.50000 2.70000 4.44000 2.91000 0.00000 0.00000 0.00000 0.16000 0.78000 0.00000 -0.24000 0.00000 -0.67000 0.00000 2.38000 67.00000 BOI2_1YCS-23_15.PDB 5.14155 -6.18000 -1.44000 -5.52000 -6.66000 -0.86000 8.55000 -8.80000 1.57000 5.65000 2.58000 0.00000 0.00000 0.00000 0.05000 0.69000 0.00000 -0.68000 0.00000 -0.62000 0.00000 2.38000 67.00000 BOI2_1YCS-23_16.PDB 3.98477 -4.57000 -1.48000 -4.00000 -6.77000 -0.76000 7.34000 -9.31000 2.69000 5.49000 2.88000 0.00000 0.00000 0.00000 0.12000 0.52000 0.00000 -0.29000 0.00000 -0.48000 0.00000 2.38000 67.00000 BOI2_1YCS-23_17.PDB 6.40594 -6.17000 -1.45000 -3.97000 -6.69000 -0.86000 7.28000 -9.19000 0.87000 5.73000 2.93000 0.00000 0.00000 0.00000 0.06000 0.54000 0.00000 -0.26000 0.00000 -0.61000 0.00000 2.38000 67.00000 BOI2_1YCS-23_18.PDB 5.20796 -6.40000 -1.34000 -2.98000 -6.20000 -0.71000 5.80000 -8.99000 0.54000 5.41000 3.03000 0.00000 0.00000 0.00000 0.07000 0.65000 0.00000 -0.49000 0.00000 -0.53000 0.00000 2.38000 67.00000 BOI2_1YCS-23_19.PDB 5.10506 -5.95000 -1.47000 -5.35000 -7.25000 -0.93000 8.31000 -10.22000 3.09000 6.43000 3.05000 0.00000 0.00000 0.00000 0.18000 0.66000 0.00000 -1.08000 0.00000 -0.72000 0.00000 2.38000 67.00000 BOI2_1YCS-23_20.PDB 4.91047 -6.18000 -1.29000 -2.95000 -6.48000 -1.39000 7.34000 -8.59000 0.85000 5.18000 2.77000 0.00000 0.00000 0.00000 0.05000 0.67000 0.00000 -0.61000 0.00000 -1.06000 0.00000 2.38000 67.00000 BOI2_1YCS-23_21.PDB 7.27525 -5.58000 -1.37000 -3.51000 -6.50000 -1.09000 6.95000 -8.88000 1.35000 5.26000 3.50000 0.00000 0.00000 0.00000 0.09000 0.57000 0.00000 -0.65000 0.00000 -0.73000 0.00000 2.38000 67.00000 BOI2_1YCS-23_22.PDB 4.37368 -5.59000 -1.92000 -3.38000 -7.15000 -0.93000 9.18000 -10.11000 1.61000 6.05000 2.30000 0.00000 0.00000 0.00000 0.18000 0.80000 0.00000 -0.68000 0.00000 -0.72000 0.00000 2.38000 67.00000 BOI2_1YCS-23_23.PDB 2.69979 -4.35000 -1.44000 -1.39000 -6.19000 0.06000 5.06000 -9.14000 2.97000 2.85000 2.68000 0.00000 0.00000 0.00000 0.07000 0.63000 0.00000 -0.00000 0.00000 0.13000 0.00000 2.38000 67.00000 BOI2_1YCS-23_24.PDB 4.36153 -5.55000 -1.64000 -3.05000 -6.76000 -1.02000 5.96000 -9.56000 2.92000 4.81000 3.22000 0.00000 0.00000 0.00000 0.29000 0.71000 0.00000 -0.14000 0.00000 -0.58000 0.00000 2.38000 67.00000 BOI2_1YCS-23_25.PDB 4.84712 -5.72000 -1.43000 -3.63000 -6.16000 -0.44000 6.33000 -8.62000 1.34000 4.45000 3.18000 0.00000 0.00000 0.00000 0.05000 0.74000 0.00000 -0.82000 0.00000 0.04000 0.00000 2.38000 67.00000 BOI2_1YCS-23_26.PDB 3.08895 -7.13000 -1.53000 -4.82000 -6.73000 -0.78000 7.34000 -9.34000 1.50000 4.89000 3.22000 0.00000 0.00000 0.00000 0.13000 0.86000 0.00000 -0.49000 0.00000 -0.51000 0.00000 2.38000 67.00000 BOI2_1YCS-23_27.PDB 3.68401 -5.46000 -1.49000 -3.12000 -6.35000 -0.88000 5.99000 -8.97000 2.58000 4.27000 3.02000 0.00000 0.00000 0.00000 0.11000 0.60000 0.00000 -0.11000 0.00000 -0.52000 0.00000 2.38000 67.00000 BOI2_1YCS-23_28.PDB 3.11410 -5.98000 -1.49000 -4.84000 -6.14000 -0.73000 7.19000 -8.56000 1.71000 4.49000 3.12000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -0.29000 0.00000 -0.49000 0.00000 2.38000 67.00000 BOI2_1YCS-23_29.PDB 5.59577 -7.43000 -1.39000 -4.66000 -6.55000 -0.72000 6.73000 -9.40000 1.04000 5.28000 3.05000 0.00000 0.00000 0.00000 0.17000 0.63000 0.00000 -0.54000 0.00000 -0.44000 0.00000 2.38000 67.00000 BOI2_1YCS-23_30.PDB 3.32398 -5.21000 -1.46000 -3.63000 -6.87000 -1.20000 7.19000 -9.45000 2.58000 5.62000 3.29000 0.00000 0.00000 0.00000 0.18000 0.61000 0.00000 -0.64000 0.00000 -0.81000 0.00000 2.38000 67.00000