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-9_1.PDB 24.89000 -43.37000 -20.34000 -70.48000 -0.26000 90.66000 -88.92000 17.04000 39.69000 97.51000 0.00000 0.00000 1.21000 5.71000 25.12000 0.00000 -3.24000 0.00000 -0.32000 0.00000 0.00000 66.00000 SHO1_1QCF-9_2.PDB 25.50000 -42.59000 -19.56000 -71.36000 -0.23000 91.08000 -90.13000 18.75000 39.54000 96.52000 0.00000 0.00000 1.21000 5.57000 25.09000 0.00000 -3.10000 0.00000 -0.19000 0.00000 0.00000 66.00000 SHO1_1QCF-9_3.PDB 27.49000 -43.26000 -20.20000 -70.02000 -0.46000 90.15000 -88.22000 19.06000 39.82000 97.18000 0.00000 0.00000 1.21000 5.61000 25.10000 0.00000 -2.91000 0.00000 -0.47000 0.00000 0.00000 66.00000 SHO1_1QCF-9_4.PDB 27.30000 -42.48000 -19.35000 -69.57000 -0.17000 89.28000 -87.91000 18.40000 38.57000 96.97000 0.00000 0.00000 1.21000 5.58000 24.94000 0.00000 -3.03000 0.00000 -0.20000 0.00000 0.00000 66.00000 SHO1_1QCF-9_5.PDB 18.40000 -43.44000 -19.04000 -71.16000 -0.60000 90.47000 -89.91000 15.81000 38.58000 94.48000 0.00000 0.00000 1.21000 5.36000 24.99000 0.00000 -2.95000 0.00000 -0.42000 0.00000 0.00000 66.00000 SHO1_1QCF-9_6.PDB 22.93000 -43.15000 -18.74000 -69.93000 -0.58000 89.33000 -88.31000 15.86000 38.39000 97.21000 0.00000 0.00000 1.21000 5.34000 24.87000 0.00000 -3.22000 0.00000 -0.48000 0.00000 0.00000 66.00000 SHO1_1QCF-9_7.PDB 25.23000 -44.00000 -19.67000 -70.90000 -0.71000 90.97000 -89.22000 18.13000 40.07000 97.81000 0.00000 0.00000 1.21000 5.31000 24.96000 0.00000 -3.09000 0.00000 -0.66000 0.00000 0.00000 66.00000 SHO1_1QCF-9_8.PDB 21.28000 -43.95000 -19.51000 -71.11000 -0.70000 91.42000 -89.23000 15.84000 39.07000 96.30000 0.00000 0.00000 1.21000 5.38000 25.06000 0.00000 -3.02000 0.00000 -0.43000 0.00000 0.00000 66.00000 SHO1_1QCF-9_9.PDB 25.44000 -43.96000 -19.54000 -70.98000 -0.73000 91.48000 -89.41000 17.95000 39.89000 97.84000 0.00000 0.00000 1.21000 5.52000 24.86000 0.00000 -3.18000 0.00000 -0.65000 0.00000 0.00000 66.00000 SHO1_1QCF-9_10.PDB 23.11000 -43.11000 -18.68000 -69.54000 -0.66000 89.30000 -87.33000 15.31000 38.18000 96.75000 0.00000 0.00000 1.21000 5.43000 24.94000 0.00000 -3.31000 0.00000 -0.45000 0.00000 0.00000 66.00000 SHO1_1QCF-9_11.PDB 26.84000 -44.01000 -21.04000 -70.46000 -0.38000 91.56000 -88.73000 19.07000 40.03000 97.36000 0.00000 0.00000 1.21000 5.59000 25.03000 0.00000 -2.95000 0.00000 -0.42000 0.00000 0.00000 66.00000 SHO1_1QCF-9_12.PDB 25.73000 -41.61000 -18.64000 -69.89000 -0.15000 89.30000 -88.69000 16.95000 37.84000 96.92000 0.00000 0.00000 1.21000 5.74000 25.03000 0.00000 -3.05000 0.00000 -0.19000 0.00000 0.00000 66.00000 SHO1_1QCF-9_13.PDB 26.51000 -44.41000 -21.32000 -71.55000 -1.18000 92.97000 -89.71000 18.95000 41.79000 98.13000 0.00000 0.00000 1.21000 5.48000 24.96000 0.00000 -3.21000 0.00000 -0.64000 0.00000 0.00000 66.00000 SHO1_1QCF-9_14.PDB 25.02000 -43.99000 -19.50000 -70.16000 -0.66000 89.97000 -88.57000 18.58000 39.44000 97.33000 0.00000 0.00000 1.21000 5.30000 25.06000 0.00000 -3.26000 0.00000 -0.68000 0.00000 0.00000 66.00000 SHO1_1QCF-9_15.PDB 21.05000 -43.89000 -19.50000 -71.01000 -0.76000 91.30000 -89.43000 15.82000 38.99000 96.21000 0.00000 0.00000 1.21000 5.79000 25.11000 0.00000 -3.24000 0.00000 -0.44000 0.00000 0.00000 66.00000 SHO1_1QCF-9_16.PDB 25.77000 -44.11000 -21.04000 -71.01000 -0.22000 91.93000 -89.42000 17.63000 40.22000 97.83000 0.00000 0.00000 1.21000 5.66000 24.96000 0.00000 -2.58000 0.00000 -0.33000 0.00000 0.00000 66.00000 SHO1_1QCF-9_17.PDB 23.94000 -43.10000 -18.69000 -71.34000 -0.57000 90.83000 -90.09000 18.26000 39.12000 96.50000 0.00000 0.00000 1.21000 5.42000 25.01000 0.00000 -3.17000 0.00000 -0.44000 0.00000 0.00000 66.00000 SHO1_1QCF-9_18.PDB 24.43000 -43.17000 -18.82000 -70.69000 -1.27000 90.53000 -89.12000 16.88000 39.19000 97.61000 0.00000 0.00000 1.21000 5.76000 25.08000 0.00000 -3.16000 0.00000 -0.52000 0.00000 0.00000 66.00000 SHO1_1QCF-9_19.PDB 25.89000 -41.85000 -18.66000 -69.60000 -0.34000 88.84000 -88.26000 17.67000 38.23000 96.43000 0.00000 0.00000 1.21000 5.48000 24.83000 0.00000 -2.87000 0.00000 -0.37000 0.00000 0.00000 66.00000 SHO1_1QCF-9_20.PDB 21.21000 -43.90000 -19.50000 -70.41000 -0.68000 90.11000 -89.05000 18.03000 38.77000 94.91000 0.00000 0.00000 1.21000 5.35000 24.94000 0.00000 -3.20000 0.00000 -0.42000 0.00000 0.00000 66.00000 SHO1_1QCF-9_21.PDB 23.91000 -44.03000 -19.64000 -71.13000 -0.71000 90.66000 -89.82000 18.10000 39.99000 97.88000 0.00000 0.00000 1.21000 5.37000 25.01000 0.00000 -3.31000 0.00000 -0.66000 0.00000 0.00000 66.00000 SHO1_1QCF-9_22.PDB 25.48000 -43.93000 -19.53000 -69.62000 -0.73000 90.48000 -87.52000 17.66000 38.23000 96.95000 0.00000 0.00000 1.21000 5.66000 24.90000 0.00000 -2.96000 0.00000 -0.44000 0.00000 0.00000 66.00000 SHO1_1QCF-9_23.PDB 20.78000 -43.82000 -19.49000 -71.39000 -0.61000 91.30000 -90.10000 15.88000 39.25000 96.59000 0.00000 0.00000 1.21000 5.45000 25.05000 0.00000 -3.07000 0.00000 -0.41000 0.00000 0.00000 66.00000 SHO1_1QCF-9_24.PDB 24.42000 -41.05000 -18.01000 -70.31000 -0.03000 88.56000 -89.53000 17.87000 37.54000 95.37000 0.00000 0.00000 1.21000 5.62000 24.88000 0.00000 -2.86000 0.00000 0.05000 0.00000 0.00000 66.00000 SHO1_1QCF-9_25.PDB 25.75000 -41.57000 -18.47000 -68.71000 -0.07000 88.12000 -87.19000 16.12000 37.10000 96.43000 0.00000 0.00000 1.21000 5.45000 24.85000 0.00000 -2.72000 0.00000 0.05000 0.00000 0.00000 66.00000 SHO1_1QCF-9_26.PDB 24.39000 -41.86000 -18.75000 -70.00000 -0.33000 88.81000 -88.43000 16.52000 38.10000 96.70000 0.00000 0.00000 1.21000 5.59000 25.10000 0.00000 -2.98000 0.00000 -0.21000 0.00000 0.00000 66.00000 SHO1_1QCF-9_27.PDB 22.08000 -41.90000 -18.93000 -71.11000 -0.20000 89.31000 -90.10000 17.93000 38.83000 94.53000 0.00000 0.00000 1.21000 5.54000 25.05000 0.00000 -2.85000 0.00000 -0.18000 0.00000 0.00000 66.00000 SHO1_1QCF-9_28.PDB 21.83000 -41.62000 -18.57000 -70.44000 -0.01000 89.03000 -89.53000 16.43000 38.12000 94.70000 0.00000 0.00000 1.21000 5.33000 25.01000 0.00000 -2.89000 0.00000 0.08000 0.00000 0.00000 66.00000 SHO1_1QCF-9_29.PDB 22.65000 -43.89000 -19.40000 -69.62000 -0.74000 90.22000 -87.60000 15.48000 38.10000 96.85000 0.00000 0.00000 1.21000 5.68000 24.83000 0.00000 -3.21000 0.00000 -0.43000 0.00000 0.00000 66.00000 SHO1_1QCF-9_30.PDB 23.85000 -43.88000 -19.47000 -70.29000 -0.48000 90.66000 -88.49000 16.91000 38.93000 97.64000 0.00000 0.00000 1.21000 5.38000 25.05000 0.00000 -3.75000 0.00000 -0.53000 0.00000 0.00000 66.00000