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 2IUI2_1.PDB 3.79083 -21.69000 -6.01000 -5.17000 -15.37000 -4.14000 17.52000 -19.99000 1.40000 8.47000 5.36000 0.00000 0.00000 0.00000 0.10000 1.37000 -0.11000 -1.24000 0.00000 -2.52000 0.00000 2.38000 118.00000 2IUI2_2.PDB 4.45829 -22.98000 -6.01000 -5.28000 -16.16000 -4.75000 18.33000 -21.16000 1.47000 9.07000 5.53000 0.00000 0.00000 0.00000 0.13000 1.53000 -0.16000 -0.72000 0.00000 -3.26000 0.00000 2.38000 118.00000 2IUI2_3.PDB 3.56643 -21.19000 -5.74000 -4.26000 -15.72000 -4.20000 17.18000 -20.46000 1.85000 8.46000 5.18000 0.00000 0.00000 0.00000 0.14000 1.43000 -0.11000 -1.04000 0.00000 -2.48000 0.00000 2.38000 118.00000 2IUI2_4.PDB 4.03693 -19.74000 -5.89000 -3.66000 -15.59000 -4.32000 17.91000 -20.30000 1.40000 8.36000 5.43000 0.00000 0.00000 0.00000 0.19000 1.20000 -0.11000 -0.56000 0.00000 -2.60000 0.00000 2.38000 118.00000 2IUI2_5.PDB 3.48388 -22.24000 -5.78000 -4.24000 -15.74000 -3.81000 17.02000 -20.80000 1.39000 8.06000 5.25000 0.00000 0.00000 0.00000 0.07000 1.31000 -0.10000 -1.36000 0.00000 -2.20000 0.00000 2.38000 118.00000 2IUI2_6.PDB 4.35300 -21.35000 -5.93000 -6.12000 -15.30000 -4.22000 17.51000 -19.95000 1.38000 8.91000 5.30000 0.00000 0.00000 0.00000 0.11000 1.24000 -0.14000 -0.40000 0.00000 -2.50000 0.00000 2.38000 118.00000 2IUI2_7.PDB 4.32167 -22.25000 -5.97000 -5.21000 -15.91000 -4.56000 17.95000 -20.66000 1.48000 9.05000 5.07000 0.00000 0.00000 0.00000 0.10000 1.40000 -0.16000 -0.40000 0.00000 -3.03000 0.00000 2.38000 118.00000 2IUI2_8.PDB 4.39355 -20.38000 -5.40000 -4.82000 -15.89000 -3.91000 18.01000 -20.86000 2.22000 8.01000 5.23000 0.00000 0.00000 0.00000 0.08000 1.34000 -0.10000 -0.90000 0.00000 -2.04000 0.00000 2.38000 118.00000 2IUI2_9.PDB 4.71680 -21.98000 -5.48000 -7.08000 -15.46000 -4.93000 18.72000 -19.66000 1.73000 8.99000 5.45000 0.00000 0.00000 0.00000 0.11000 1.37000 -0.14000 -1.26000 0.00000 -2.96000 0.00000 2.38000 118.00000 2IUI2_10.PDB 3.83134 -18.22000 -6.02000 -4.01000 -14.78000 -3.77000 16.72000 -19.39000 2.87000 7.80000 5.24000 0.00000 0.00000 0.00000 0.19000 1.32000 -0.12000 -0.71000 0.00000 -2.24000 0.00000 2.38000 118.00000 2IUI2_11.PDB 3.75537 -21.53000 -5.40000 -4.85000 -15.90000 -4.08000 17.83000 -20.81000 1.51000 8.80000 5.08000 0.00000 0.00000 0.00000 0.11000 1.37000 -0.11000 -1.31000 0.00000 -2.41000 0.00000 2.38000 118.00000 2IUI2_12.PDB 3.81573 -20.08000 -5.96000 -5.27000 -15.17000 -3.55000 17.52000 -19.81000 1.52000 8.32000 5.37000 0.00000 0.00000 0.00000 0.13000 1.32000 -0.10000 -0.92000 0.00000 -2.17000 0.00000 2.38000 118.00000 2IUI2_13.PDB 4.12786 -22.29000 -5.89000 -5.82000 -15.69000 -4.01000 17.91000 -20.54000 1.48000 9.45000 5.06000 0.00000 0.00000 0.00000 0.09000 1.33000 -0.17000 -1.47000 0.00000 -2.68000 0.00000 2.38000 118.00000 2IUI2_14.PDB 3.52676 -20.97000 -5.72000 -3.65000 -15.74000 -4.14000 17.29000 -20.56000 1.34000 7.79000 5.26000 0.00000 0.00000 0.00000 0.11000 1.40000 -0.10000 -0.48000 0.00000 -2.36000 0.00000 2.38000 118.00000 2IUI2_15.PDB 3.89398 -21.02000 -6.80000 -6.22000 -15.51000 -3.97000 18.58000 -19.94000 1.37000 9.52000 5.44000 0.00000 0.00000 0.00000 0.11000 1.24000 -0.11000 -1.07000 0.00000 -2.42000 0.00000 2.38000 118.00000 2IUI2_16.PDB 3.20439 -15.40000 -4.97000 -1.23000 -12.69000 -0.89000 11.48000 -17.54000 1.48000 5.48000 5.42000 0.00000 0.00000 0.00000 0.12000 1.35000 0.00000 -1.27000 0.00000 -0.79000 0.00000 2.38000 118.00000 2IUI2_17.PDB 4.32896 -22.92000 -5.97000 -6.04000 -16.11000 -5.09000 18.50000 -20.73000 1.39000 9.72000 5.48000 0.00000 0.00000 0.00000 0.09000 1.39000 -0.16000 -0.59000 0.00000 -3.41000 0.00000 2.38000 118.00000 2IUI2_18.PDB 3.68626 -20.24000 -5.99000 -5.80000 -14.63000 -3.57000 16.62000 -19.34000 2.11000 7.95000 5.27000 0.00000 0.00000 0.00000 0.14000 1.36000 -0.11000 -0.89000 0.00000 -2.01000 0.00000 2.38000 118.00000 2IUI2_19.PDB 3.62750 -20.99000 -6.03000 -3.73000 -16.15000 -4.42000 17.62000 -21.21000 2.00000 8.61000 5.54000 0.00000 0.00000 0.00000 0.09000 1.49000 -0.11000 -0.57000 0.00000 -2.65000 0.00000 2.38000 118.00000 2IUI2_20.PDB 3.95940 -20.07000 -6.03000 -4.94000 -15.27000 -3.07000 17.24000 -20.25000 1.46000 8.76000 5.13000 0.00000 0.00000 0.00000 0.13000 1.28000 -0.12000 -1.30000 0.00000 -1.81000 0.00000 2.38000 118.00000 2IUI2_21.PDB 4.22428 -21.36000 -5.83000 -5.21000 -15.46000 -4.14000 17.94000 -20.18000 1.37000 8.91000 4.94000 0.00000 0.00000 0.00000 0.08000 1.20000 -0.16000 -0.81000 0.00000 -2.82000 0.00000 2.38000 118.00000 2IUI2_22.PDB 4.55859 -20.98000 -5.69000 -6.49000 -15.42000 -4.93000 18.54000 -19.48000 1.56000 9.05000 5.29000 0.00000 0.00000 0.00000 0.12000 1.39000 -0.14000 -0.42000 0.00000 -2.96000 0.00000 2.38000 118.00000 2IUI2_23.PDB 3.91834 -20.00000 -5.93000 -2.83000 -15.75000 -3.99000 17.65000 -20.48000 1.42000 8.03000 5.14000 0.00000 0.00000 0.00000 0.16000 1.28000 -0.10000 -1.08000 0.00000 -2.24000 0.00000 2.38000 118.00000 2IUI2_24.PDB 4.63848 -20.34000 -5.67000 -6.51000 -15.48000 -5.08000 19.15000 -19.58000 1.72000 9.18000 5.59000 0.00000 0.00000 0.00000 0.12000 1.33000 -0.14000 -0.61000 0.00000 -3.02000 0.00000 2.38000 118.00000 2IUI2_25.PDB 4.80137 -20.57000 -5.90000 -6.18000 -15.78000 -4.46000 18.81000 -20.32000 1.56000 9.97000 5.36000 0.00000 0.00000 0.00000 0.12000 1.20000 -0.16000 -0.61000 0.00000 -2.97000 0.00000 2.38000 118.00000 2IUI2_26.PDB 3.75675 -24.04000 -5.88000 -5.24000 -15.91000 -4.06000 16.95000 -21.03000 1.42000 8.73000 4.51000 0.00000 0.00000 0.00000 0.12000 1.47000 -0.11000 -1.02000 0.00000 -2.51000 0.00000 2.38000 118.00000 2IUI2_27.PDB 3.54923 -21.98000 -5.68000 -5.95000 -15.74000 -4.14000 17.62000 -20.53000 1.49000 8.62000 5.21000 0.00000 0.00000 0.00000 0.07000 1.31000 -0.10000 -0.61000 0.00000 -2.21000 0.00000 2.38000 118.00000 2IUI2_28.PDB 4.20923 -22.53000 -6.02000 -6.64000 -16.18000 -5.35000 19.84000 -20.88000 1.44000 9.76000 5.43000 0.00000 0.00000 0.00000 0.12000 1.44000 -0.15000 -0.52000 0.00000 -3.40000 0.00000 2.38000 118.00000 2IUI2_29.PDB 3.63082 -22.96000 -6.00000 -5.20000 -16.18000 -4.08000 17.24000 -21.44000 1.60000 8.69000 5.42000 0.00000 0.00000 0.00000 0.14000 1.66000 -0.11000 -0.59000 0.00000 -2.45000 0.00000 2.38000 118.00000 2IUI2_30.PDB 4.19422 -21.98000 -5.88000 -4.50000 -15.49000 -4.34000 17.28000 -20.05000 1.40000 8.07000 4.63000 0.00000 0.00000 0.00000 0.19000 1.26000 -0.11000 -0.53000 0.00000 -2.67000 0.00000 2.38000 118.00000