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_1ZUK3-28_1.PDB 4.36150 -16.51000 -2.43000 -6.38000 -12.73000 -2.33000 13.67000 -16.31000 0.49000 8.94000 2.67000 0.00000 0.00000 0.00000 0.22000 1.74000 0.00000 -0.54000 0.00000 -1.78000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_2.PDB 3.52466 -15.76000 -2.46000 -5.48000 -12.39000 -1.72000 13.44000 -15.72000 0.33000 8.37000 2.02000 0.00000 0.00000 0.00000 0.10000 1.90000 0.00000 -0.62000 0.00000 -1.61000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_3.PDB 3.72655 -15.70000 -2.40000 -6.12000 -12.11000 -1.66000 13.14000 -15.43000 0.25000 8.30000 2.33000 0.00000 0.00000 0.00000 0.15000 1.51000 0.00000 -0.91000 0.00000 -1.22000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_4.PDB 4.25510 -15.99000 -2.43000 -5.38000 -12.69000 -2.22000 13.80000 -16.02000 0.49000 8.69000 2.20000 0.00000 0.00000 0.00000 0.08000 1.85000 0.00000 -0.71000 0.00000 -1.81000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_5.PDB 3.62829 -15.68000 -2.44000 -5.39000 -12.42000 -1.59000 12.87000 -15.97000 0.49000 8.42000 2.24000 0.00000 0.00000 0.00000 0.12000 1.71000 0.00000 -0.56000 0.00000 -1.46000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_6.PDB 3.55173 -15.26000 -2.33000 -5.39000 -12.50000 -1.79000 13.21000 -16.01000 0.41000 8.30000 2.83000 0.00000 0.00000 0.00000 0.07000 1.76000 0.00000 -0.59000 0.00000 -1.49000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_7.PDB 3.72023 -15.60000 -2.37000 -5.41000 -12.65000 -1.80000 13.49000 -16.16000 0.41000 8.37000 2.32000 0.00000 0.00000 0.00000 0.07000 1.73000 0.00000 -0.45000 0.00000 -1.42000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_8.PDB 4.45128 -16.93000 -1.66000 -5.69000 -12.78000 -2.34000 13.54000 -16.53000 0.48000 8.55000 2.40000 0.00000 0.00000 0.00000 0.15000 1.75000 0.00000 -1.03000 0.00000 -2.00000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_9.PDB 3.84015 -16.25000 -2.46000 -6.03000 -12.04000 -1.55000 12.62000 -15.55000 0.17000 8.43000 2.26000 0.00000 0.00000 0.00000 0.12000 1.47000 0.00000 -1.11000 0.00000 -1.12000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_10.PDB 3.64018 -15.33000 -2.37000 -6.50000 -12.20000 -1.64000 13.37000 -15.48000 0.27000 8.86000 2.24000 0.00000 0.00000 0.00000 0.12000 1.37000 0.00000 -0.74000 0.00000 -1.25000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_11.PDB 3.67251 -15.88000 -1.59000 -4.63000 -12.14000 -1.53000 12.29000 -15.94000 0.37000 6.60000 2.22000 0.00000 0.00000 0.00000 0.09000 1.92000 0.00000 -0.64000 0.00000 -0.99000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_12.PDB 4.35166 -14.74000 -2.43000 -6.82000 -13.03000 -2.70000 15.27000 -16.38000 1.69000 9.48000 2.23000 0.00000 0.00000 0.00000 0.19000 1.95000 0.00000 -0.48000 0.00000 -1.76000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_13.PDB 3.97489 -16.28000 -2.29000 -6.08000 -12.62000 -2.45000 13.72000 -16.11000 0.42000 9.20000 2.73000 0.00000 0.00000 0.00000 0.18000 1.63000 0.00000 -0.72000 0.00000 -2.25000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_14.PDB 4.50545 -15.85000 -2.45000 -6.37000 -12.93000 -2.28000 14.87000 -16.07000 0.51000 9.57000 2.07000 0.00000 0.00000 0.00000 0.16000 1.75000 0.00000 -0.83000 0.00000 -2.10000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_15.PDB 4.14339 -17.79000 -1.57000 -7.28000 -13.03000 -2.46000 14.17000 -16.80000 0.42000 9.02000 2.21000 0.00000 0.00000 0.00000 0.13000 1.77000 0.00000 -0.85000 0.00000 -1.75000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_16.PDB 3.50861 -16.12000 -1.55000 -4.55000 -12.66000 -1.57000 12.77000 -16.78000 0.50000 7.59000 2.46000 0.00000 0.00000 0.00000 0.09000 1.64000 0.00000 -0.91000 0.00000 -1.51000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_17.PDB 4.18520 -18.60000 -3.12000 -7.95000 -12.54000 -4.53000 15.33000 -14.86000 0.51000 10.59000 2.50000 0.00000 0.00000 0.00000 0.22000 1.85000 0.00000 -1.32000 0.00000 -3.43000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_18.PDB 4.15970 -14.74000 -2.33000 -5.37000 -12.49000 -1.82000 13.16000 -16.12000 1.14000 8.18000 2.63000 0.00000 0.00000 0.00000 0.18000 1.92000 0.00000 -0.61000 0.00000 -1.30000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_19.PDB 4.28886 -16.63000 -1.59000 -7.26000 -12.80000 -2.44000 13.84000 -16.60000 0.95000 8.92000 2.73000 0.00000 0.00000 0.00000 0.13000 1.68000 0.00000 -0.71000 0.00000 -1.80000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_20.PDB 3.00264 -15.47000 -1.63000 -5.05000 -11.81000 -1.54000 12.02000 -15.59000 0.50000 7.55000 2.21000 0.00000 0.00000 0.00000 0.09000 1.39000 0.00000 -0.99000 0.00000 -1.23000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_21.PDB 4.03123 -15.63000 -2.39000 -6.01000 -12.20000 -1.75000 13.22000 -15.67000 0.32000 8.50000 2.74000 0.00000 0.00000 0.00000 0.14000 1.67000 0.00000 -1.06000 0.00000 -1.47000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_22.PDB 4.28919 -15.58000 -2.29000 -5.24000 -12.16000 -1.54000 12.35000 -15.73000 0.33000 8.01000 2.75000 0.00000 0.00000 0.00000 0.14000 1.64000 0.00000 -0.83000 0.00000 -1.37000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_23.PDB 4.17070 -15.46000 -2.36000 -5.25000 -13.04000 -3.25000 15.03000 -15.98000 0.32000 9.19000 2.76000 0.00000 0.00000 0.00000 0.13000 1.96000 0.00000 -0.62000 0.00000 -2.39000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_24.PDB 4.36564 -15.27000 -3.16000 -4.79000 -12.93000 -4.12000 15.00000 -15.82000 1.65000 9.54000 2.80000 0.00000 0.00000 0.00000 0.21000 1.81000 0.00000 -0.70000 0.00000 -2.94000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_25.PDB 3.89705 -15.67000 -1.57000 -4.65000 -12.34000 -1.46000 12.26000 -16.26000 0.36000 7.29000 2.28000 0.00000 0.00000 0.00000 0.09000 1.64000 0.00000 -0.45000 0.00000 -1.22000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_26.PDB 4.13565 -16.10000 -1.64000 -4.68000 -12.45000 -1.46000 12.34000 -16.52000 0.43000 7.39000 2.33000 0.00000 0.00000 0.00000 0.13000 1.74000 0.00000 -0.58000 0.00000 -1.38000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_27.PDB 4.25887 -15.41000 -2.41000 -6.36000 -12.82000 -2.54000 14.24000 -16.18000 1.38000 9.38000 2.29000 0.00000 0.00000 0.00000 0.17000 1.63000 0.00000 -0.73000 0.00000 -1.83000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_28.PDB 3.88442 -15.58000 -1.51000 -4.38000 -12.36000 -1.61000 12.56000 -16.25000 0.43000 7.41000 2.35000 0.00000 0.00000 0.00000 0.12000 1.61000 0.00000 -0.97000 0.00000 -1.37000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_29.PDB 4.29982 -15.89000 -2.40000 -6.43000 -13.29000 -2.98000 15.00000 -16.55000 1.58000 9.25000 2.26000 0.00000 0.00000 0.00000 0.20000 1.80000 0.00000 -0.64000 0.00000 -1.89000 0.00000 2.38000 70.00000 BBC1_1ZUK3-28_30.PDB 4.70513 -15.47000 -2.44000 -5.41000 -13.30000 -2.64000 15.11000 -16.75000 0.58000 9.31000 2.22000 0.00000 0.00000 0.00000 0.20000 1.74000 0.00000 -0.45000 0.00000 -1.90000 0.00000 2.38000 70.00000