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 BBC1_1ZUK3-3_1.PDB 8.94665 -16.34000 -1.78000 -6.08000 -13.40000 -8.45000 16.66000 -15.04000 0.70000 12.83000 4.96000 0.00000 0.00000 0.00000 0.69000 1.55000 0.00000 -1.46000 0.00000 -5.97000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_2.PDB 9.06128 -15.30000 -1.69000 -5.66000 -13.27000 -7.93000 16.31000 -15.10000 1.52000 12.76000 4.22000 0.00000 0.00000 0.00000 0.73000 1.49000 0.00000 -1.35000 0.00000 -5.83000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_3.PDB 9.19872 -14.58000 -0.94000 -5.04000 -12.85000 -7.42000 15.85000 -14.52000 0.91000 11.36000 4.57000 0.00000 0.00000 0.00000 0.70000 1.51000 0.00000 -1.81000 0.00000 -5.40000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_4.PDB 8.12315 -12.44000 -0.86000 -2.45000 -12.56000 -6.30000 14.11000 -15.08000 0.63000 10.63000 4.73000 0.00000 0.00000 0.00000 0.66000 1.45000 0.00000 -1.12000 0.00000 -4.84000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_5.PDB 8.30543 -11.43000 -0.87000 -1.15000 -10.71000 -4.22000 11.36000 -13.61000 0.41000 6.84000 5.27000 0.00000 0.00000 0.00000 0.57000 1.05000 0.00000 -1.18000 0.00000 -4.13000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_6.PDB 9.42441 -11.43000 -3.30000 -6.87000 -14.28000 -8.45000 18.79000 -15.79000 4.89000 13.99000 6.19000 0.00000 0.00000 0.00000 1.03000 1.95000 0.00000 -1.60000 0.00000 -6.01000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_7.PDB 9.00639 -12.45000 -2.07000 -6.11000 -11.98000 -5.69000 15.13000 -13.93000 0.56000 11.78000 5.04000 0.00000 0.00000 0.00000 0.81000 1.29000 0.00000 -1.32000 0.00000 -4.67000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_8.PDB 9.96604 -15.26000 -1.80000 -4.31000 -12.39000 -7.03000 14.40000 -14.68000 0.60000 10.21000 5.43000 0.00000 0.00000 0.00000 0.75000 1.20000 0.00000 -1.42000 0.00000 -5.01000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_9.PDB 8.73298 -16.58000 -1.01000 -6.73000 -12.86000 -9.63000 17.36000 -14.03000 0.39000 13.69000 3.57000 0.00000 0.00000 0.00000 0.81000 1.55000 0.00000 -1.47000 0.00000 -6.68000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_10.PDB 9.54095 -15.85000 -3.35000 -6.94000 -14.31000 -8.18000 18.67000 -15.90000 0.81000 14.50000 5.31000 0.00000 0.00000 0.00000 0.76000 1.61000 0.00000 -1.34000 0.00000 -5.89000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_11.PDB 8.23573 -14.48000 -0.86000 -8.13000 -12.72000 -7.47000 16.41000 -14.50000 0.86000 13.52000 4.44000 0.00000 0.00000 0.00000 0.69000 1.32000 0.00000 -1.38000 0.00000 -5.36000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_12.PDB 8.38073 -11.96000 -0.83000 -2.04000 -11.96000 -6.19000 13.53000 -14.61000 0.48000 10.07000 4.77000 0.00000 0.00000 0.00000 0.66000 1.16000 0.00000 -1.16000 0.00000 -4.67000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_13.PDB 8.20330 -13.16000 -0.98000 -5.18000 -12.74000 -7.53000 16.25000 -14.70000 0.40000 11.93000 5.21000 0.00000 0.00000 0.00000 0.74000 1.29000 0.00000 -1.15000 0.00000 -5.40000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_14.PDB 7.64064 -11.59000 -0.94000 -6.33000 -11.72000 -5.07000 14.26000 -14.00000 0.27000 10.88000 6.10000 0.00000 0.00000 0.00000 0.57000 1.10000 0.00000 -0.97000 0.00000 -4.65000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_15.PDB 9.30722 -14.55000 -1.81000 -6.36000 -12.96000 -7.28000 16.17000 -14.68000 0.50000 12.47000 5.71000 0.00000 0.00000 0.00000 0.74000 1.25000 0.00000 -1.57000 0.00000 -5.47000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_16.PDB 8.80343 -11.45000 -1.61000 -5.15000 -11.38000 -4.55000 13.37000 -13.76000 0.26000 10.88000 4.94000 0.00000 0.00000 0.00000 0.69000 1.01000 0.00000 -1.06000 0.00000 -4.06000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_17.PDB 8.72618 -11.63000 -1.71000 -4.52000 -10.98000 -4.17000 12.27000 -13.31000 0.39000 9.64000 4.81000 0.00000 0.00000 0.00000 0.62000 0.92000 0.00000 -0.73000 0.00000 -3.93000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_18.PDB 8.48970 -13.02000 -2.16000 -5.79000 -13.34000 -6.35000 16.49000 -14.95000 0.51000 12.71000 5.61000 0.00000 0.00000 0.00000 0.69000 1.64000 0.00000 -1.35000 0.00000 -5.08000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_19.PDB 8.19898 -11.04000 -1.71000 -6.16000 -12.78000 -5.03000 15.38000 -15.35000 1.98000 11.79000 5.22000 0.00000 0.00000 0.00000 0.92000 1.71000 0.00000 -1.07000 0.00000 -4.22000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_20.PDB 8.33700 -13.45000 -0.91000 -6.22000 -12.52000 -6.40000 14.98000 -14.35000 0.60000 12.50000 4.42000 0.00000 0.00000 0.00000 0.71000 1.19000 0.00000 -1.29000 0.00000 -4.95000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_21.PDB 8.19527 -13.59000 -2.38000 -5.15000 -12.94000 -5.96000 16.72000 -14.95000 0.57000 10.49000 5.76000 0.00000 0.00000 0.00000 0.77000 1.39000 0.00000 -1.61000 0.00000 -4.89000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_22.PDB 8.75525 -15.01000 -0.88000 -3.41000 -12.42000 -9.28000 15.54000 -14.06000 0.70000 11.81000 3.84000 0.00000 0.00000 0.00000 0.77000 1.50000 0.00000 -1.45000 0.00000 -6.18000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_23.PDB 8.26213 -15.16000 -1.00000 -4.98000 -12.87000 -8.65000 16.61000 -14.15000 0.48000 12.12000 4.05000 0.00000 0.00000 0.00000 0.75000 1.57000 0.00000 -1.15000 0.00000 -6.37000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_24.PDB 8.12748 -12.31000 -0.86000 -4.69000 -12.07000 -6.03000 14.35000 -14.22000 0.92000 11.25000 4.13000 0.00000 0.00000 0.00000 0.73000 1.20000 0.00000 -1.12000 0.00000 -4.69000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_25.PDB 7.90887 -11.82000 -0.91000 -4.51000 -12.03000 -4.97000 14.03000 -14.63000 0.48000 10.17000 5.08000 0.00000 0.00000 0.00000 0.66000 1.09000 0.00000 -0.88000 0.00000 -4.31000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_26.PDB 9.04715 -15.55000 -0.83000 -5.26000 -12.34000 -9.05000 16.51000 -13.74000 0.51000 11.67000 3.83000 0.00000 0.00000 0.00000 0.86000 1.48000 0.00000 -1.85000 0.00000 -5.86000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_27.PDB 8.19930 -13.00000 -0.97000 -4.52000 -12.51000 -6.76000 15.34000 -14.49000 0.51000 11.53000 4.47000 0.00000 0.00000 0.00000 0.71000 1.13000 0.00000 -1.33000 0.00000 -4.96000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_28.PDB 7.97843 -11.15000 -0.87000 -6.13000 -11.30000 -4.42000 13.19000 -13.53000 0.35000 11.34000 4.62000 0.00000 0.00000 0.00000 0.62000 1.02000 0.00000 -0.92000 0.00000 -4.11000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_29.PDB 7.94363 -10.92000 -0.87000 -4.18000 -10.48000 -4.15000 11.38000 -13.08000 1.12000 9.04000 4.52000 0.00000 0.00000 0.00000 0.65000 0.89000 0.00000 -0.80000 0.00000 -4.06000 0.00000 2.38000 70.00000 BBC1_1ZUK3-3_30.PDB 8.20275 -16.14000 -0.97000 -6.28000 -12.48000 -8.11000 16.22000 -13.77000 0.93000 11.95000 3.44000 0.00000 0.00000 0.00000 0.74000 1.36000 0.00000 -1.37000 0.00000 -6.44000 0.00000 2.38000 70.00000