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 1AOT2_1.PDB 17.74341 -4.56000 -0.69000 -5.43000 -6.80000 -4.05000 10.70000 -7.59000 3.06000 7.90000 3.97000 0.00000 0.00000 0.00000 0.28000 1.00000 0.00000 -1.51000 0.00000 -4.40000 0.00000 2.38000 117.00000 1AOT2_2.PDB 11.10573 -4.84000 -0.01000 -2.86000 -5.92000 -2.18000 8.13000 -7.02000 0.93000 4.91000 3.34000 0.00000 0.00000 0.00000 0.27000 1.13000 0.00000 -1.48000 0.00000 -2.94000 0.00000 2.38000 117.00000 1AOT2_3.PDB 12.34024 -6.05000 -0.71000 -5.46000 -6.75000 -4.14000 10.41000 -7.66000 1.77000 7.88000 3.68000 0.00000 0.00000 0.00000 1.02000 1.16000 0.00000 -1.62000 0.00000 -4.46000 0.00000 2.38000 117.00000 1AOT2_4.PDB 12.85902 -4.51000 -0.82000 -3.90000 -6.77000 -4.40000 10.94000 -7.56000 1.62000 7.82000 3.81000 0.00000 0.00000 0.00000 0.29000 0.89000 0.00000 -0.81000 0.00000 -4.74000 0.00000 2.38000 117.00000 1AOT2_5.PDB 16.13734 -4.90000 0.00000 -4.56000 -6.71000 -3.58000 10.01000 -7.70000 2.83000 6.55000 3.22000 0.00000 0.00000 0.00000 0.34000 1.08000 0.00000 -1.21000 0.00000 -4.08000 0.00000 2.38000 117.00000 1AOT2_6.PDB 14.69634 -6.38000 -0.79000 -5.84000 -6.61000 -4.02000 9.55000 -7.62000 0.88000 9.35000 4.02000 0.00000 0.00000 0.00000 0.45000 1.21000 0.00000 -1.15000 0.00000 -4.59000 0.00000 2.38000 117.00000 1AOT2_7.PDB 11.27760 -6.35000 -0.83000 -3.85000 -7.16000 -3.77000 10.09000 -7.99000 0.83000 7.93000 3.79000 0.00000 0.00000 0.00000 0.30000 1.16000 0.00000 -1.23000 0.00000 -4.47000 0.00000 2.38000 117.00000 1AOT2_8.PDB 18.91913 -6.82000 0.00000 -4.67000 -6.50000 -4.12000 9.67000 -7.57000 2.46000 6.46000 3.19000 0.00000 0.00000 0.00000 0.30000 1.00000 0.00000 -1.46000 0.00000 -4.59000 0.00000 2.38000 117.00000 1AOT2_9.PDB 12.20910 -6.32000 -0.78000 -5.23000 -6.01000 -3.23000 8.02000 -7.23000 0.62000 8.09000 4.06000 0.00000 0.00000 0.00000 0.36000 1.08000 0.00000 -1.35000 0.00000 -3.64000 0.00000 2.38000 117.00000 1AOT2_10.PDB 13.20493 -4.22000 -0.01000 -4.13000 -6.38000 -3.65000 9.74000 -7.50000 2.12000 7.01000 3.56000 0.00000 0.00000 0.00000 0.37000 1.02000 0.00000 -1.21000 0.00000 -4.14000 0.00000 2.38000 117.00000 1AOT2_11.PDB 18.64814 -7.66000 -0.72000 -4.32000 -6.25000 -5.12000 9.94000 -7.03000 0.89000 8.01000 3.49000 0.00000 0.00000 0.00000 0.46000 0.63000 0.00000 -1.72000 0.00000 -5.30000 0.00000 2.38000 117.00000 1AOT2_12.PDB 18.08926 -9.21000 -0.89000 -6.45000 -7.24000 -4.99000 11.49000 -7.92000 1.05000 8.80000 3.69000 0.00000 0.00000 0.00000 0.16000 1.07000 0.00000 -1.62000 0.00000 -5.30000 0.00000 2.38000 117.00000 1AOT2_13.PDB 12.40059 -6.59000 0.00000 -4.99000 -6.47000 -3.68000 9.62000 -7.52000 0.56000 7.01000 3.49000 0.00000 0.00000 0.00000 0.62000 1.23000 0.00000 -1.20000 0.00000 -4.03000 0.00000 2.38000 117.00000 1AOT2_14.PDB 19.53263 -6.41000 -0.71000 -6.05000 -7.34000 -4.29000 9.98000 -8.33000 3.23000 9.26000 4.22000 0.00000 0.00000 0.00000 0.27000 1.25000 0.00000 -1.47000 0.00000 -5.17000 0.00000 2.38000 117.00000 1AOT2_15.PDB 11.91046 -5.73000 0.00000 -4.26000 -6.70000 -4.09000 9.85000 -7.81000 2.24000 7.05000 3.46000 0.00000 0.00000 0.00000 0.60000 1.42000 0.00000 -1.55000 0.00000 -4.51000 0.00000 2.38000 117.00000 1AOT2_16.PDB 16.89993 -7.20000 -0.88000 -4.97000 -6.99000 -4.52000 10.02000 -7.82000 1.53000 9.06000 3.56000 0.00000 0.00000 0.00000 0.49000 1.05000 0.00000 -1.66000 0.00000 -5.02000 0.00000 2.38000 117.00000 1AOT2_17.PDB 11.43722 -3.84000 -0.85000 -5.77000 -6.78000 -3.68000 10.47000 -7.72000 3.21000 8.30000 3.98000 0.00000 0.00000 0.00000 0.32000 1.05000 0.00000 -1.25000 0.00000 -4.07000 0.00000 2.38000 117.00000 1AOT2_18.PDB 20.26882 -7.96000 -0.83000 -5.40000 -7.38000 -5.79000 11.53000 -7.93000 2.58000 7.68000 3.08000 0.00000 0.00000 0.00000 0.83000 1.08000 0.00000 -1.13000 0.00000 -5.20000 0.00000 2.38000 117.00000 1AOT2_19.PDB 17.22314 -7.32000 -0.87000 -6.30000 -7.01000 -4.10000 9.97000 -7.78000 2.25000 8.82000 3.61000 0.00000 0.00000 0.00000 0.30000 1.09000 0.00000 -1.37000 0.00000 -4.85000 0.00000 2.38000 117.00000 1AOT2_20.PDB 12.04055 -7.03000 -0.69000 -6.48000 -6.94000 -4.67000 11.02000 -7.62000 1.91000 8.67000 3.91000 0.00000 0.00000 0.00000 0.28000 1.06000 0.00000 -1.50000 0.00000 -4.91000 0.00000 2.38000 117.00000 1AOT2_21.PDB 12.54447 -6.35000 -0.01000 -4.55000 -6.42000 -4.28000 10.27000 -7.29000 0.88000 6.89000 3.44000 0.00000 0.00000 0.00000 0.42000 1.13000 0.00000 -1.16000 0.00000 -4.55000 0.00000 2.38000 117.00000 1AOT2_22.PDB 18.07168 -7.69000 -0.31000 -4.09000 -6.60000 -3.98000 9.24000 -7.73000 0.73000 7.02000 3.33000 0.00000 0.00000 0.00000 0.50000 1.21000 0.00000 -1.22000 0.00000 -4.59000 0.00000 2.38000 117.00000 1AOT2_23.PDB 18.02902 -6.20000 -0.70000 -5.01000 -6.97000 -4.42000 10.44000 -7.89000 1.96000 7.95000 4.23000 0.00000 0.00000 0.00000 0.28000 1.28000 0.00000 -1.45000 0.00000 -4.62000 0.00000 2.38000 117.00000 1AOT2_24.PDB 11.77480 -6.82000 -0.01000 -4.58000 -6.55000 -4.62000 11.05000 -7.29000 0.54000 7.17000 3.59000 0.00000 0.00000 0.00000 0.28000 1.22000 0.00000 -1.71000 0.00000 -4.70000 0.00000 2.38000 117.00000 1AOT2_25.PDB 21.57286 -7.41000 -0.28000 -5.28000 -7.18000 -4.79000 10.51000 -7.97000 2.83000 8.46000 3.67000 0.00000 0.00000 0.00000 0.33000 1.06000 0.00000 -2.23000 0.00000 -5.49000 0.00000 2.38000 117.00000 1AOT2_26.PDB 26.20902 -7.09000 -0.88000 -5.96000 -6.89000 -4.27000 11.18000 -7.74000 0.80000 8.47000 4.03000 0.00000 0.00000 0.00000 0.39000 1.10000 0.00000 -1.45000 0.00000 -4.77000 0.00000 2.38000 117.00000 1AOT2_27.PDB 22.64941 -6.97000 -0.83000 -3.96000 -7.10000 -3.86000 9.96000 -7.92000 1.95000 7.34000 3.65000 0.00000 0.00000 0.00000 0.39000 1.05000 0.00000 -2.06000 0.00000 -4.52000 0.00000 2.38000 117.00000 1AOT2_28.PDB 18.01159 -6.83000 -0.81000 -6.30000 -7.18000 -4.47000 11.39000 -7.69000 1.27000 9.30000 3.92000 0.00000 0.00000 0.00000 0.45000 1.25000 0.00000 -1.63000 0.00000 -5.08000 0.00000 2.38000 117.00000 1AOT2_29.PDB 19.25453 -4.78000 -0.87000 -4.59000 -7.00000 -4.51000 10.41000 -7.95000 3.20000 8.95000 4.14000 0.00000 0.00000 0.00000 0.38000 1.10000 0.00000 -1.93000 0.00000 -5.01000 0.00000 2.38000 117.00000 1AOT2_30.PDB 12.26178 -6.74000 -0.01000 -5.35000 -6.29000 -3.53000 8.93000 -7.31000 1.43000 7.03000 3.51000 0.00000 0.00000 0.00000 0.28000 1.09000 0.00000 -1.48000 0.00000 -3.95000 0.00000 2.38000 117.00000