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_1QCF-7_1.PDB 23.34000 -41.54000 -15.81000 -67.96000 -0.68000 86.20000 -86.42000 15.61000 37.36000 94.37000 0.00000 0.00000 1.21000 5.62000 24.84000 0.00000 -3.37000 0.00000 -1.25000 0.00000 0.00000 66.00000 SHO1_1QCF-7_2.PDB 23.47000 -41.58000 -17.75000 -68.17000 -1.12000 87.44000 -86.23000 15.84000 37.62000 95.37000 0.00000 0.00000 1.21000 5.68000 24.89000 0.00000 -3.27000 0.00000 -1.55000 0.00000 0.00000 66.00000 SHO1_1QCF-7_3.PDB 25.50000 -41.41000 -15.67000 -68.30000 -0.88000 87.25000 -86.64000 15.23000 37.85000 95.61000 0.00000 0.00000 1.22000 5.80000 24.84000 0.00000 -3.31000 0.00000 -1.24000 0.00000 0.00000 66.00000 SHO1_1QCF-7_4.PDB 26.64000 -41.63000 -16.64000 -67.96000 -1.05000 87.09000 -86.18000 15.90000 38.31000 96.29000 0.00000 0.00000 1.22000 6.03000 24.91000 0.00000 -3.20000 0.00000 -1.54000 0.00000 0.00000 66.00000 SHO1_1QCF-7_5.PDB 22.48000 -41.55000 -17.01000 -68.27000 -0.51000 86.86000 -86.62000 14.27000 37.84000 94.78000 0.00000 0.00000 1.20000 5.64000 24.78000 0.00000 -3.42000 0.00000 -0.71000 0.00000 0.00000 66.00000 SHO1_1QCF-7_6.PDB 25.42000 -41.30000 -16.29000 -68.52000 -1.02000 88.14000 -86.69000 15.16000 37.89000 95.47000 0.00000 0.00000 1.20000 6.07000 24.84000 0.00000 -3.33000 0.00000 -1.38000 0.00000 0.00000 66.00000 SHO1_1QCF-7_7.PDB 25.34000 -41.54000 -15.94000 -68.62000 -0.83000 87.79000 -86.96000 14.93000 38.15000 95.98000 0.00000 0.00000 1.22000 5.64000 24.96000 0.00000 -3.37000 0.00000 -1.11000 0.00000 0.00000 66.00000 SHO1_1QCF-7_8.PDB 28.18000 -41.50000 -17.05000 -68.45000 -1.87000 89.28000 -86.58000 16.26000 38.89000 96.48000 0.00000 0.00000 1.21000 6.03000 25.01000 0.00000 -2.89000 0.00000 -1.62000 0.00000 0.00000 66.00000 SHO1_1QCF-7_9.PDB 23.66000 -41.34000 -16.44000 -68.67000 -1.12000 88.21000 -86.83000 15.41000 37.95000 94.57000 0.00000 0.00000 1.22000 5.43000 24.90000 0.00000 -3.32000 0.00000 -1.42000 0.00000 0.00000 66.00000 SHO1_1QCF-7_10.PDB 23.99000 -41.52000 -16.54000 -68.76000 -1.13000 88.42000 -86.91000 15.01000 38.03000 95.45000 0.00000 0.00000 1.21000 5.77000 24.88000 0.00000 -3.40000 0.00000 -1.64000 0.00000 0.00000 66.00000 SHO1_1QCF-7_11.PDB 25.66000 -41.58000 -16.52000 -67.93000 -1.07000 86.78000 -86.18000 15.98000 38.27000 95.78000 0.00000 0.00000 1.21000 5.49000 24.97000 0.00000 -3.19000 0.00000 -1.36000 0.00000 0.00000 66.00000 SHO1_1QCF-7_12.PDB 23.87000 -41.57000 -16.58000 -68.34000 -0.69000 87.40000 -86.56000 16.43000 37.65000 93.58000 0.00000 0.00000 1.23000 5.34000 24.86000 0.00000 -3.17000 0.00000 -0.85000 0.00000 0.00000 66.00000 SHO1_1QCF-7_13.PDB 26.61000 -42.37000 -18.86000 -68.15000 -1.18000 87.94000 -86.35000 16.98000 38.47000 97.56000 0.00000 0.00000 1.21000 5.80000 24.85000 0.00000 -2.92000 0.00000 -1.54000 0.00000 0.00000 66.00000 SHO1_1QCF-7_14.PDB 25.11000 -41.51000 -15.77000 -68.10000 -0.70000 87.17000 -86.18000 16.18000 37.25000 94.40000 0.00000 0.00000 1.21000 5.49000 24.89000 0.00000 -3.31000 0.00000 -1.00000 0.00000 0.00000 66.00000 SHO1_1QCF-7_15.PDB 24.78000 -41.53000 -15.78000 -67.80000 -0.42000 86.59000 -85.90000 14.26000 37.56000 94.51000 0.00000 0.00000 1.20000 5.65000 24.89000 0.00000 -2.91000 0.00000 -0.66000 0.00000 0.00000 66.00000 SHO1_1QCF-7_16.PDB 27.00000 -41.63000 -16.71000 -67.57000 -0.90000 86.61000 -85.65000 16.56000 38.28000 95.38000 0.00000 0.00000 1.21000 5.63000 25.00000 0.00000 -3.05000 0.00000 -1.15000 0.00000 0.00000 66.00000 SHO1_1QCF-7_17.PDB 22.96000 -41.34000 -16.46000 -68.58000 -0.74000 87.94000 -86.81000 14.37000 37.87000 94.56000 0.00000 0.00000 1.21000 5.49000 24.91000 0.00000 -3.37000 0.00000 -1.17000 0.00000 0.00000 66.00000 SHO1_1QCF-7_18.PDB 23.05000 -41.48000 -16.39000 -68.00000 -1.03000 87.21000 -86.10000 13.57000 37.78000 94.68000 0.00000 0.00000 1.21000 6.35000 24.74000 0.00000 -3.42000 0.00000 -1.35000 0.00000 0.00000 66.00000 SHO1_1QCF-7_19.PDB 25.87000 -41.35000 -16.43000 -68.25000 -1.06000 88.14000 -86.26000 15.65000 37.80000 95.40000 0.00000 0.00000 1.21000 5.67000 24.85000 0.00000 -3.27000 0.00000 -1.37000 0.00000 0.00000 66.00000 SHO1_1QCF-7_20.PDB 24.34000 -40.82000 -16.54000 -69.37000 -0.91000 87.89000 -88.12000 15.28000 38.48000 95.91000 0.00000 0.00000 1.22000 5.56000 25.11000 0.00000 -3.13000 0.00000 -1.11000 0.00000 0.00000 66.00000 SHO1_1QCF-7_21.PDB 25.46000 -41.56000 -16.61000 -67.78000 -1.17000 87.15000 -85.76000 14.89000 37.84000 95.59000 0.00000 0.00000 1.20000 6.38000 24.72000 0.00000 -3.21000 0.00000 -1.50000 0.00000 0.00000 66.00000 SHO1_1QCF-7_22.PDB 26.80000 -40.75000 -16.34000 -68.87000 -1.07000 87.73000 -87.46000 15.62000 38.41000 97.01000 0.00000 0.00000 1.22000 5.74000 25.15000 0.00000 -3.09000 0.00000 -1.36000 0.00000 0.00000 66.00000 SHO1_1QCF-7_23.PDB 25.66000 -41.77000 -16.88000 -68.19000 -0.82000 87.90000 -86.31000 15.31000 38.30000 95.69000 0.00000 0.00000 1.23000 5.70000 24.92000 0.00000 -3.14000 0.00000 -1.35000 0.00000 0.00000 66.00000 SHO1_1QCF-7_24.PDB 27.05000 -42.33000 -18.62000 -67.66000 -1.14000 88.16000 -85.56000 15.88000 37.98000 97.49000 0.00000 0.00000 1.23000 5.96000 24.93000 0.00000 -2.82000 0.00000 -1.52000 0.00000 0.00000 66.00000 SHO1_1QCF-7_25.PDB 22.05000 -42.46000 -18.09000 -67.88000 -0.72000 86.49000 -86.12000 15.00000 38.65000 94.54000 0.00000 0.00000 1.21000 5.48000 24.80000 0.00000 -3.26000 0.00000 -0.80000 0.00000 0.00000 66.00000 SHO1_1QCF-7_26.PDB 25.86000 -42.42000 -16.67000 -68.71000 -0.66000 88.02000 -86.78000 16.17000 38.40000 95.66000 0.00000 0.00000 1.21000 5.74000 24.95000 0.00000 -3.21000 0.00000 -0.90000 0.00000 0.00000 66.00000 SHO1_1QCF-7_27.PDB 24.98000 -40.70000 -14.97000 -68.08000 -0.49000 86.90000 -86.04000 15.07000 36.82000 93.51000 0.00000 0.00000 1.22000 5.29000 24.90000 0.00000 -2.89000 0.00000 -0.65000 0.00000 0.00000 66.00000 SHO1_1QCF-7_28.PDB 23.83000 -41.62000 -16.92000 -67.55000 -0.61000 86.81000 -85.54000 14.66000 37.55000 94.49000 0.00000 0.00000 1.21000 5.66000 24.78000 0.00000 -3.34000 0.00000 -0.98000 0.00000 0.00000 66.00000 SHO1_1QCF-7_29.PDB 23.94000 -41.56000 -16.26000 -68.79000 -0.79000 87.23000 -87.44000 14.72000 38.36000 95.85000 0.00000 0.00000 1.20000 5.82000 24.83000 0.00000 -3.34000 0.00000 -1.06000 0.00000 0.00000 66.00000 SHO1_1QCF-7_30.PDB 22.57000 -41.58000 -16.58000 -68.20000 -0.86000 87.72000 -86.17000 13.30000 37.76000 94.58000 0.00000 0.00000 1.22000 5.60000 24.82000 0.00000 -3.00000 0.00000 -1.24000 0.00000 0.00000 66.00000