name total energy Backbone Hbon 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 SHO1_1QKX-9_1.PDB 25.75000 -38.12000 -13.34000 -67.66000 -1.40000 84.43000 -85.79000 18.66000 35.55000 96.15000 0.00000 0.00000 0.00000 2.05000 15.31000 0.00000 -3.53000 0.00000 -1.25000 0.00000 0.00000 65.00000 SHO1_1QKX-9_2.PDB 26.88000 -39.07000 -14.71000 -68.72000 -1.23000 85.87000 -87.22000 20.54000 36.57000 96.96000 0.00000 0.00000 0.00000 2.10000 15.75000 0.00000 -3.38000 0.00000 -0.83000 0.00000 0.00000 65.00000 SHO1_1QKX-9_3.PDB 26.07000 -38.30000 -12.98000 -68.11000 -1.26000 84.34000 -86.82000 20.76000 35.75000 95.12000 0.00000 0.00000 0.00000 1.94000 15.31000 0.00000 -3.32000 0.00000 -1.05000 0.00000 0.00000 65.00000 SHO1_1QKX-9_4.PDB 24.16000 -38.21000 -12.76000 -69.73000 -0.90000 85.75000 -88.66000 20.48000 35.38000 95.39000 0.00000 0.00000 0.00000 1.99000 15.59000 0.00000 -3.78000 0.00000 -0.78000 0.00000 0.00000 65.00000 SHO1_1QKX-9_5.PDB 25.06000 -40.08000 -17.42000 -68.06000 -2.00000 86.92000 -85.48000 20.75000 38.25000 95.75000 0.00000 0.00000 0.00000 1.83000 15.57000 0.00000 -3.79000 0.00000 -1.62000 0.00000 0.00000 65.00000 SHO1_1QKX-9_6.PDB 26.48000 -39.61000 -14.93000 -69.12000 -1.71000 87.07000 -87.20000 19.51000 37.51000 96.92000 0.00000 0.00000 0.00000 2.41000 15.61000 0.00000 -3.18000 0.00000 -1.18000 0.00000 0.00000 65.00000 SHO1_1QKX-9_7.PDB 24.91000 -38.76000 -14.96000 -68.85000 -1.22000 86.15000 -87.04000 20.77000 36.19000 95.41000 0.00000 0.00000 0.00000 1.96000 15.46000 0.00000 -3.53000 0.00000 -1.22000 0.00000 0.00000 65.00000 SHO1_1QKX-9_8.PDB 28.62000 -38.70000 -15.56000 -69.81000 -1.50000 88.66000 -87.64000 20.44000 37.64000 97.68000 0.00000 0.00000 0.00000 2.18000 15.77000 0.00000 -3.68000 0.00000 -1.09000 0.00000 0.00000 65.00000 SHO1_1QKX-9_9.PDB 23.21000 -38.45000 -14.50000 -68.16000 -1.62000 85.90000 -85.97000 19.36000 35.57000 93.82000 0.00000 0.00000 0.00000 1.97000 15.44000 0.00000 -3.56000 0.00000 -1.17000 0.00000 0.00000 65.00000 SHO1_1QKX-9_10.PDB 27.06000 -39.83000 -16.42000 -68.72000 -1.50000 87.70000 -86.96000 20.60000 37.90000 96.80000 0.00000 0.00000 0.00000 1.93000 15.78000 0.00000 -3.27000 0.00000 -1.15000 0.00000 0.00000 65.00000 SHO1_1QKX-9_11.PDB 28.34000 -39.49000 -13.02000 -69.23000 -2.03000 85.97000 -87.73000 21.61000 37.64000 97.43000 0.00000 0.00000 0.00000 1.79000 15.59000 0.00000 -3.05000 0.00000 -1.55000 0.00000 0.00000 65.00000 SHO1_1QKX-9_12.PDB 26.32000 -38.25000 -15.13000 -69.10000 -1.53000 87.10000 -87.23000 20.41000 36.34000 96.29000 0.00000 0.00000 0.00000 1.87000 15.80000 0.00000 -3.40000 0.00000 -1.07000 0.00000 0.00000 65.00000 SHO1_1QKX-9_13.PDB 25.54000 -40.08000 -15.09000 -68.51000 -1.25000 86.07000 -86.78000 21.75000 36.30000 94.88000 0.00000 0.00000 0.00000 2.30000 15.61000 0.00000 -3.34000 0.00000 -0.71000 0.00000 0.00000 65.00000 SHO1_1QKX-9_14.PDB 28.77000 -38.81000 -15.00000 -69.80000 -0.88000 86.98000 -88.23000 22.05000 36.51000 98.24000 0.00000 0.00000 0.00000 2.08000 16.01000 0.00000 -3.57000 0.00000 -0.80000 0.00000 0.00000 65.00000 SHO1_1QKX-9_15.PDB 23.37000 -37.35000 -13.42000 -69.07000 -0.68000 84.81000 -88.01000 19.71000 34.96000 94.55000 0.00000 0.00000 0.00000 2.13000 15.48000 0.00000 -3.61000 0.00000 -0.67000 0.00000 0.00000 65.00000 SHO1_1QKX-9_16.PDB 25.15000 -39.73000 -16.55000 -69.48000 -1.46000 87.19000 -87.80000 21.34000 37.22000 96.90000 0.00000 0.00000 0.00000 2.12000 15.72000 0.00000 -3.68000 0.00000 -0.91000 0.00000 0.00000 65.00000 SHO1_1QKX-9_17.PDB 28.82000 -39.58000 -13.60000 -68.30000 -1.27000 84.63000 -86.93000 21.52000 37.26000 97.35000 0.00000 0.00000 0.00000 2.00000 15.70000 0.00000 -3.33000 0.00000 -0.92000 0.00000 0.00000 65.00000 SHO1_1QKX-9_18.PDB 27.88000 -39.58000 -14.18000 -68.11000 -1.47000 84.72000 -86.47000 21.90000 37.63000 96.18000 0.00000 0.00000 0.00000 2.04000 15.49000 0.00000 -3.60000 0.00000 -1.16000 0.00000 0.00000 65.00000 SHO1_1QKX-9_19.PDB 28.30000 -39.60000 -12.97000 -68.27000 -1.46000 86.13000 -85.97000 19.23000 36.24000 97.48000 0.00000 0.00000 0.00000 2.15000 15.57000 0.00000 -3.43000 0.00000 -1.24000 0.00000 0.00000 65.00000 SHO1_1QKX-9_20.PDB 24.41000 -37.86000 -12.36000 -68.51000 -1.13000 84.62000 -86.69000 18.59000 35.26000 95.06000 0.00000 0.00000 0.00000 1.94000 15.43000 0.00000 -3.43000 0.00000 -1.08000 0.00000 0.00000 65.00000 SHO1_1QKX-9_21.PDB 25.44000 -38.27000 -14.74000 -70.61000 -1.07000 88.26000 -89.02000 19.19000 36.90000 97.24000 0.00000 0.00000 0.00000 1.98000 15.69000 0.00000 -3.41000 0.00000 -1.03000 0.00000 0.00000 65.00000 SHO1_1QKX-9_22.PDB 23.57000 -37.86000 -14.36000 -68.61000 -1.58000 85.61000 -86.53000 18.54000 36.23000 94.89000 0.00000 0.00000 0.00000 1.94000 15.50000 0.00000 -3.39000 0.00000 -1.30000 0.00000 0.00000 65.00000 SHO1_1QKX-9_23.PDB 25.74000 -37.90000 -13.31000 -69.60000 -0.91000 86.03000 -87.89000 18.96000 36.16000 96.69000 0.00000 0.00000 0.00000 1.88000 15.48000 0.00000 -3.45000 0.00000 -0.92000 0.00000 0.00000 65.00000 SHO1_1QKX-9_24.PDB 25.80000 -39.10000 -14.56000 -68.84000 -1.28000 86.41000 -86.96000 20.46000 36.40000 95.79000 0.00000 0.00000 0.00000 2.22000 15.47000 0.00000 -3.65000 0.00000 -1.09000 0.00000 0.00000 65.00000 SHO1_1QKX-9_25.PDB 26.07000 -40.96000 -14.50000 -69.67000 -1.75000 87.29000 -88.21000 21.97000 37.48000 96.27000 0.00000 0.00000 0.00000 2.25000 15.77000 0.00000 -3.11000 0.00000 -0.99000 0.00000 0.00000 65.00000 SHO1_1QKX-9_26.PDB 26.22000 -38.67000 -13.09000 -69.75000 -1.04000 86.14000 -88.45000 21.29000 36.81000 95.41000 0.00000 0.00000 0.00000 1.79000 15.60000 0.00000 -3.41000 0.00000 -0.79000 0.00000 0.00000 65.00000 SHO1_1QKX-9_27.PDB 28.46000 -40.12000 -15.27000 -68.71000 -1.12000 86.65000 -86.55000 21.20000 36.82000 97.88000 0.00000 0.00000 0.00000 2.01000 15.67000 0.00000 -3.63000 0.00000 -0.69000 0.00000 0.00000 65.00000 SHO1_1QKX-9_28.PDB 26.44000 -39.59000 -12.97000 -67.95000 -1.35000 85.34000 -85.77000 19.65000 35.78000 96.00000 0.00000 0.00000 0.00000 1.99000 15.58000 0.00000 -3.68000 0.00000 -1.00000 0.00000 0.00000 65.00000 SHO1_1QKX-9_29.PDB 25.44000 -39.62000 -14.59000 -69.65000 -1.59000 86.81000 -87.99000 21.25000 37.28000 95.71000 0.00000 0.00000 0.00000 1.97000 15.53000 0.00000 -3.24000 0.00000 -0.90000 0.00000 0.00000 65.00000 SHO1_1QKX-9_30.PDB 27.26000 -40.13000 -15.60000 -68.56000 -1.81000 87.03000 -86.02000 20.18000 37.45000 97.74000 0.00000 0.00000 0.00000 2.01000 15.61000 0.00000 -3.45000 0.00000 -1.59000 0.00000 0.00000 65.00000