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 SHO1_1QCF-26_1.PDB 8.22823 -9.63000 -1.19000 -6.09000 -7.94000 -0.12000 8.02000 -9.95000 1.31000 4.23000 2.90000 0.00000 0.00000 0.00000 0.03000 0.39000 0.00000 -0.62000 0.00000 -0.19000 0.00000 2.38000 67.00000 SHO1_1QCF-26_2.PDB 8.30132 -8.28000 -1.18000 -6.20000 -7.55000 -0.10000 7.88000 -9.44000 1.21000 4.05000 3.60000 0.00000 0.00000 0.00000 0.03000 0.37000 0.00000 -0.42000 0.00000 -0.16000 0.00000 2.38000 67.00000 SHO1_1QCF-26_3.PDB 8.38813 -9.69000 -1.27000 -6.08000 -8.00000 -0.22000 8.31000 -10.09000 1.29000 4.23000 2.88000 0.00000 0.00000 0.00000 0.03000 0.50000 0.00000 -0.48000 0.00000 -0.29000 0.00000 2.38000 67.00000 SHO1_1QCF-26_4.PDB 8.78159 -8.73000 -2.10000 -5.44000 -8.25000 -0.71000 9.02000 -9.70000 1.29000 5.17000 3.05000 0.00000 0.00000 0.00000 0.20000 0.37000 0.00000 -0.43000 0.00000 -0.82000 0.00000 2.38000 67.00000 SHO1_1QCF-26_5.PDB 8.25752 -8.33000 -1.10000 -5.80000 -7.69000 -0.06000 7.76000 -9.72000 1.37000 4.00000 3.49000 0.00000 0.00000 0.00000 0.02000 0.44000 0.00000 -0.46000 0.00000 -0.14000 0.00000 2.38000 67.00000 SHO1_1QCF-26_6.PDB 8.23184 -9.39000 -1.10000 -6.15000 -7.56000 -0.09000 7.59000 -9.51000 1.25000 4.11000 2.71000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.49000 0.00000 -0.16000 0.00000 2.38000 67.00000 SHO1_1QCF-26_7.PDB 8.31728 -6.16000 -1.11000 -3.61000 -7.02000 -0.35000 7.95000 -8.64000 1.29000 2.91000 3.41000 0.00000 0.00000 0.00000 0.02000 0.38000 0.00000 -0.51000 0.00000 -0.50000 0.00000 2.38000 67.00000 SHO1_1QCF-26_8.PDB 8.24179 -8.10000 -1.17000 -6.06000 -7.82000 -0.18000 8.54000 -9.78000 1.24000 4.11000 3.63000 0.00000 0.00000 0.00000 0.03000 0.42000 0.00000 -0.39000 0.00000 -0.26000 0.00000 2.38000 67.00000 SHO1_1QCF-26_9.PDB 8.37862 -7.55000 -1.08000 -4.45000 -7.67000 -0.18000 8.22000 -9.50000 1.30000 3.82000 2.79000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -0.58000 0.00000 -0.26000 0.00000 2.38000 67.00000 SHO1_1QCF-26_10.PDB 8.10047 -8.03000 -1.18000 -4.45000 -7.33000 -0.52000 7.94000 -9.00000 1.31000 3.55000 3.05000 0.00000 0.00000 0.00000 0.03000 0.47000 0.00000 -0.72000 0.00000 -0.72000 0.00000 2.38000 67.00000 SHO1_1QCF-26_11.PDB 8.18666 -7.44000 -1.13000 -5.28000 -7.56000 -0.12000 7.94000 -9.50000 1.17000 3.64000 4.18000 0.00000 0.00000 0.00000 0.02000 0.38000 0.00000 -0.62000 0.00000 -0.17000 0.00000 2.38000 67.00000 SHO1_1QCF-26_12.PDB 8.24004 -8.29000 -1.15000 -5.85000 -7.57000 -0.14000 8.02000 -9.45000 1.24000 3.89000 3.26000 0.00000 0.00000 0.00000 0.02000 0.43000 0.00000 -0.34000 0.00000 -0.21000 0.00000 2.38000 67.00000 SHO1_1QCF-26_13.PDB 8.17325 -9.38000 -1.18000 -6.27000 -7.40000 -0.15000 7.64000 -9.41000 1.30000 3.93000 2.89000 0.00000 0.00000 0.00000 0.01000 0.35000 0.00000 -0.49000 0.00000 -0.24000 0.00000 2.38000 67.00000 SHO1_1QCF-26_14.PDB 8.91217 -6.98000 -1.18000 -4.03000 -7.40000 -0.36000 8.04000 -9.00000 1.32000 3.40000 3.36000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.65000 0.00000 -0.50000 0.00000 2.38000 67.00000 SHO1_1QCF-26_15.PDB 8.20523 -8.27000 -1.17000 -6.25000 -7.45000 -0.11000 7.91000 -9.19000 1.26000 4.06000 3.56000 0.00000 0.00000 0.00000 0.03000 0.37000 0.00000 -0.76000 0.00000 -0.16000 0.00000 2.38000 67.00000 SHO1_1QCF-26_16.PDB 8.50652 -8.00000 -1.20000 -4.55000 -7.80000 -0.17000 8.01000 -9.83000 1.28000 3.78000 3.30000 0.00000 0.00000 0.00000 0.06000 0.47000 0.00000 -0.66000 0.00000 -0.22000 0.00000 2.38000 67.00000 SHO1_1QCF-26_17.PDB 8.37902 -4.81000 -1.11000 -2.73000 -6.70000 -0.37000 7.57000 -8.26000 1.22000 2.58000 3.79000 0.00000 0.00000 0.00000 0.02000 0.34000 0.00000 -0.31000 0.00000 -0.52000 0.00000 2.38000 67.00000 SHO1_1QCF-26_18.PDB 8.94830 -9.31000 -2.12000 -5.23000 -8.44000 -0.77000 9.29000 -9.88000 1.34000 5.03000 2.83000 0.00000 0.00000 0.00000 0.21000 0.46000 0.00000 -0.72000 0.00000 -0.85000 0.00000 2.38000 67.00000 SHO1_1QCF-26_19.PDB 8.46280 -7.64000 -1.11000 -4.47000 -7.53000 -0.25000 7.94000 -9.04000 1.30000 3.85000 2.66000 0.00000 0.00000 0.00000 0.04000 0.37000 0.00000 -0.64000 0.00000 -0.37000 0.00000 2.38000 67.00000 SHO1_1QCF-26_20.PDB 8.21833 -9.74000 -1.18000 -6.09000 -7.92000 -0.27000 8.49000 -9.89000 1.30000 4.28000 2.48000 0.00000 0.00000 0.00000 0.04000 0.48000 0.00000 -0.63000 0.00000 -0.35000 0.00000 2.38000 67.00000 SHO1_1QCF-26_21.PDB 8.23635 -7.62000 -1.09000 -5.91000 -7.12000 -0.12000 7.65000 -9.05000 1.24000 3.63000 3.62000 0.00000 0.00000 0.00000 0.01000 0.31000 0.00000 -0.29000 0.00000 -0.18000 0.00000 2.38000 67.00000 SHO1_1QCF-26_22.PDB 8.73062 -6.28000 -1.24000 -4.50000 -7.14000 -0.26000 7.80000 -8.71000 1.23000 3.50000 4.04000 0.00000 0.00000 0.00000 0.02000 0.30000 0.00000 -0.64000 0.00000 -0.38000 0.00000 2.38000 67.00000 SHO1_1QCF-26_23.PDB 8.35820 -8.39000 -1.18000 -4.55000 -7.91000 -0.16000 8.06000 -9.89000 1.27000 3.88000 2.78000 0.00000 0.00000 0.00000 0.05000 0.45000 0.00000 -0.50000 0.00000 -0.24000 0.00000 2.38000 67.00000 SHO1_1QCF-26_24.PDB 8.37285 -7.64000 -1.18000 -5.86000 -7.76000 -0.15000 8.63000 -9.64000 1.18000 4.03000 3.61000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.34000 0.00000 -0.21000 0.00000 2.38000 67.00000 SHO1_1QCF-26_25.PDB 8.22465 -9.90000 -1.18000 -5.91000 -7.51000 -0.24000 8.09000 -9.46000 1.42000 3.71000 2.12000 0.00000 0.00000 0.00000 0.02000 0.49000 0.00000 -0.69000 0.00000 -0.27000 0.00000 2.38000 67.00000 SHO1_1QCF-26_26.PDB 8.39840 -8.78000 -1.20000 -6.21000 -7.91000 -0.08000 8.08000 -9.77000 1.27000 4.27000 3.43000 0.00000 0.00000 0.00000 0.03000 0.42000 0.00000 -0.56000 0.00000 -0.15000 0.00000 2.38000 67.00000 SHO1_1QCF-26_27.PDB 8.34924 -6.53000 -1.12000 -4.33000 -7.19000 -0.26000 7.92000 -8.76000 1.33000 3.44000 3.07000 0.00000 0.00000 0.00000 0.03000 0.42000 0.00000 -0.28000 0.00000 -0.39000 0.00000 2.38000 67.00000 SHO1_1QCF-26_28.PDB 8.37161 -7.74000 -1.19000 -4.40000 -7.29000 -0.17000 7.81000 -8.97000 1.37000 3.33000 2.67000 0.00000 0.00000 0.00000 0.02000 0.36000 0.00000 -0.60000 0.00000 -0.30000 0.00000 2.38000 67.00000 SHO1_1QCF-26_29.PDB 8.40275 -6.29000 -1.19000 -4.46000 -7.34000 -0.31000 8.37000 -8.77000 1.21000 3.53000 3.39000 0.00000 0.00000 0.00000 0.02000 0.41000 0.00000 -0.32000 0.00000 -0.43000 0.00000 2.38000 67.00000 SHO1_1QCF-26_30.PDB 8.38570 -8.82000 -1.13000 -6.12000 -7.96000 -0.31000 8.73000 -9.66000 1.32000 4.35000 2.82000 0.00000 0.00000 0.00000 0.03000 0.40000 0.00000 -0.52000 0.00000 -0.35000 0.00000 2.38000 67.00000