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-21_1.PDB 6.09529 -8.50000 -1.79000 -2.00000 -8.18000 -1.25000 6.59000 -10.37000 2.37000 6.02000 1.60000 0.00000 0.00000 0.00000 0.38000 1.08000 0.00000 -0.67000 0.00000 -1.20000 0.00000 2.38000 70.00000 BOI1_1YCS-21_2.PDB 5.66501 -7.63000 -1.83000 -2.70000 -7.68000 -0.83000 6.25000 -9.79000 2.83000 5.85000 1.62000 0.00000 0.00000 0.00000 0.20000 0.82000 0.00000 -0.67000 0.00000 -0.88000 0.00000 2.38000 70.00000 BOI1_1YCS-21_3.PDB 5.20302 -6.71000 -1.79000 -2.05000 -8.08000 -0.77000 6.42000 -10.27000 3.28000 5.79000 2.07000 0.00000 0.00000 0.00000 0.21000 1.12000 0.00000 -0.71000 0.00000 -0.80000 0.00000 2.38000 70.00000 BOI1_1YCS-21_4.PDB 5.84682 -8.63000 -1.70000 -3.53000 -8.00000 -0.70000 6.61000 -10.35000 2.21000 5.95000 1.94000 0.00000 0.00000 0.00000 0.27000 0.91000 0.00000 -0.59000 0.00000 -0.75000 0.00000 2.38000 70.00000 BOI1_1YCS-21_5.PDB 6.23022 -9.60000 -1.38000 -2.29000 -7.83000 -1.34000 6.13000 -10.13000 1.56000 5.56000 1.40000 0.00000 0.00000 0.00000 0.79000 0.93000 0.00000 -0.80000 0.00000 -1.26000 0.00000 2.38000 70.00000 BOI1_1YCS-21_6.PDB 5.84029 -8.07000 -1.87000 -2.73000 -8.15000 -0.95000 6.68000 -10.35000 2.86000 6.22000 1.65000 0.00000 0.00000 0.00000 0.22000 0.99000 0.00000 -0.68000 0.00000 -0.98000 0.00000 2.38000 70.00000 BOI1_1YCS-21_7.PDB 4.97578 -7.38000 -0.49000 -0.75000 -7.55000 -0.26000 4.86000 -10.31000 1.78000 4.16000 1.63000 0.00000 0.00000 0.00000 0.27000 0.64000 0.00000 -0.40000 0.00000 -0.33000 0.00000 2.38000 70.00000 BOI1_1YCS-21_8.PDB 6.93690 -8.56000 -2.00000 -3.48000 -7.78000 -0.79000 6.43000 -9.90000 2.05000 6.02000 1.80000 0.00000 0.00000 0.00000 0.83000 0.76000 0.00000 -0.89000 0.00000 -0.85000 0.00000 2.38000 70.00000 BOI1_1YCS-21_9.PDB 6.09808 -9.18000 -1.97000 -3.34000 -7.64000 -0.93000 6.28000 -9.88000 1.43000 5.96000 1.87000 0.00000 0.00000 0.00000 0.85000 0.77000 0.00000 -0.82000 0.00000 -0.99000 0.00000 2.38000 70.00000 BOI1_1YCS-21_10.PDB 5.44370 -7.49000 -1.68000 -2.53000 -7.77000 -0.39000 6.01000 -10.17000 3.12000 5.24000 1.44000 0.00000 0.00000 0.00000 0.19000 0.86000 0.00000 -0.52000 0.00000 -0.44000 0.00000 2.38000 70.00000 BOI1_1YCS-21_11.PDB 7.13401 -7.86000 -2.64000 -2.90000 -8.48000 -0.76000 7.72000 -10.65000 1.99000 6.87000 2.04000 0.00000 0.00000 0.00000 0.24000 0.96000 0.00000 -0.47000 0.00000 -0.82000 0.00000 2.38000 70.00000 BOI1_1YCS-21_12.PDB 5.42052 -8.22000 -1.80000 -2.63000 -7.60000 -0.42000 5.69000 -9.91000 2.84000 5.19000 1.23000 0.00000 0.00000 0.00000 0.21000 0.78000 0.00000 -0.59000 0.00000 -0.44000 0.00000 2.38000 70.00000 BOI1_1YCS-21_13.PDB 5.11551 -8.17000 -1.74000 -2.26000 -7.91000 -0.69000 6.33000 -10.24000 2.50000 5.55000 1.51000 0.00000 0.00000 0.00000 0.33000 0.83000 0.00000 -0.78000 0.00000 -0.77000 0.00000 2.38000 70.00000 BOI1_1YCS-21_14.PDB 5.13083 -7.81000 -1.71000 -2.57000 -7.92000 -0.84000 6.35000 -10.14000 3.04000 5.87000 1.50000 0.00000 0.00000 0.00000 0.20000 0.83000 0.00000 -0.70000 0.00000 -0.89000 0.00000 2.38000 70.00000 BOI1_1YCS-21_15.PDB 6.20997 -8.72000 -1.25000 -2.23000 -8.06000 -0.52000 5.85000 -10.71000 1.35000 5.63000 1.97000 0.00000 0.00000 0.00000 0.71000 0.82000 0.00000 -0.86000 0.00000 -0.60000 0.00000 2.38000 70.00000 BOI1_1YCS-21_16.PDB 5.48119 -7.30000 -0.47000 -0.62000 -7.80000 -0.42000 4.87000 -10.71000 1.81000 4.49000 2.35000 0.00000 0.00000 0.00000 0.20000 0.71000 0.00000 -0.47000 0.00000 -0.55000 0.00000 2.38000 70.00000 BOI1_1YCS-21_17.PDB 5.43996 -8.05000 -1.84000 -2.65000 -7.62000 -0.63000 5.92000 -9.92000 2.65000 5.83000 1.27000 0.00000 0.00000 0.00000 0.20000 0.72000 0.00000 -0.58000 0.00000 -0.67000 0.00000 2.38000 70.00000 BOI1_1YCS-21_18.PDB 6.31058 -8.44000 -2.00000 -3.01000 -7.76000 -0.56000 6.18000 -9.98000 1.36000 5.65000 1.99000 0.00000 0.00000 0.00000 0.83000 0.88000 0.00000 -0.54000 0.00000 -0.60000 0.00000 2.38000 70.00000 BOI1_1YCS-21_19.PDB 5.06185 -7.28000 -1.75000 -1.96000 -8.02000 -0.36000 5.92000 -10.60000 3.00000 5.45000 1.47000 0.00000 0.00000 0.00000 0.36000 0.83000 0.00000 -0.38000 0.00000 -0.41000 0.00000 2.38000 70.00000 BOI1_1YCS-21_20.PDB 6.62040 -9.16000 -1.34000 -2.21000 -7.97000 -1.09000 6.38000 -10.58000 1.52000 5.61000 1.45000 0.00000 0.00000 0.00000 1.01000 0.94000 0.00000 -0.97000 0.00000 -0.99000 0.00000 2.38000 70.00000 BOI1_1YCS-21_21.PDB 6.31875 -9.05000 -1.35000 -2.71000 -7.21000 -0.65000 5.22000 -9.63000 1.53000 4.95000 1.51000 0.00000 0.00000 0.00000 0.80000 0.50000 0.00000 -0.81000 0.00000 -0.69000 0.00000 2.38000 70.00000 BOI1_1YCS-21_22.PDB 5.07098 -7.56000 -2.04000 -2.27000 -8.80000 -1.20000 7.71000 -10.88000 2.04000 7.17000 2.10000 0.00000 0.00000 0.00000 0.24000 1.20000 0.00000 -0.44000 0.00000 -1.19000 0.00000 2.38000 70.00000 BOI1_1YCS-21_23.PDB 6.10612 -9.19000 -2.19000 -3.17000 -8.05000 -0.79000 6.50000 -10.45000 1.49000 6.34000 1.73000 0.00000 0.00000 0.00000 0.84000 0.75000 0.00000 -0.57000 0.00000 -0.86000 0.00000 2.38000 70.00000 BOI1_1YCS-21_24.PDB 6.86667 -5.42000 -1.89000 -3.42000 -6.75000 -1.23000 7.32000 -7.65000 2.40000 5.62000 1.58000 0.00000 0.00000 0.00000 0.30000 1.29000 0.00000 -0.51000 0.00000 -1.18000 0.00000 2.38000 70.00000 BOI1_1YCS-21_25.PDB 6.43358 -8.90000 -0.58000 -1.53000 -7.80000 -0.51000 5.01000 -10.69000 1.31000 4.81000 1.85000 0.00000 0.00000 0.00000 0.70000 0.67000 0.00000 -0.87000 0.00000 -0.59000 0.00000 2.38000 70.00000 BOI1_1YCS-21_26.PDB 6.01677 -7.72000 -0.43000 -1.34000 -7.23000 -0.39000 4.98000 -9.94000 1.60000 3.86000 1.62000 0.00000 0.00000 0.00000 0.79000 0.61000 0.00000 -0.76000 0.00000 -0.47000 0.00000 2.38000 70.00000 BOI1_1YCS-21_27.PDB 5.20956 -7.92000 -1.00000 -1.89000 -8.45000 -0.58000 6.12000 -11.09000 2.59000 5.62000 1.89000 0.00000 0.00000 0.00000 0.19000 1.07000 0.00000 -0.70000 0.00000 -0.64000 0.00000 2.38000 70.00000 BOI1_1YCS-21_28.PDB 5.17079 -7.13000 -0.48000 -0.66000 -7.91000 -0.46000 4.99000 -10.86000 2.12000 4.78000 2.12000 0.00000 0.00000 0.00000 0.19000 0.69000 0.00000 -0.39000 0.00000 -0.56000 0.00000 2.38000 70.00000 BOI1_1YCS-21_29.PDB 6.77743 -9.29000 -1.27000 -2.20000 -7.62000 -1.06000 5.69000 -10.09000 1.47000 5.06000 1.47000 0.00000 0.00000 0.00000 0.83000 0.82000 0.00000 -0.66000 0.00000 -0.92000 0.00000 2.38000 70.00000 BOI1_1YCS-21_30.PDB 4.95694 -7.75000 -1.79000 -2.00000 -8.24000 -0.90000 6.71000 -10.53000 2.19000 6.09000 1.95000 0.00000 0.00000 0.00000 0.33000 1.01000 0.00000 -0.67000 0.00000 -0.89000 0.00000 2.38000 70.00000