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-9_1.PDB 9.60969 -9.85000 -2.15000 -2.09000 -8.50000 -0.16000 6.94000 -11.14000 1.48000 3.83000 2.68000 0.00000 0.00000 0.00000 0.04000 0.39000 0.00000 -0.47000 0.00000 -0.32000 0.00000 2.38000 66.00000 SHO1_1QCF-9_2.PDB 9.05411 -7.39000 -2.22000 -2.15000 -8.55000 -0.12000 7.25000 -11.27000 3.65000 4.02000 2.37000 0.00000 0.00000 0.00000 0.04000 0.35000 0.00000 -0.21000 0.00000 -0.19000 0.00000 2.38000 66.00000 SHO1_1QCF-9_3.PDB 4.48890 -6.91000 -2.05000 -2.00000 -8.26000 -0.35000 6.62000 -10.80000 4.24000 3.96000 2.42000 0.00000 0.00000 0.00000 0.06000 0.32000 0.00000 -0.28000 0.00000 -0.47000 0.00000 2.38000 66.00000 SHO1_1QCF-9_4.PDB 8.94038 -7.28000 -2.10000 -2.01000 -8.37000 -0.10000 7.03000 -11.04000 3.45000 3.80000 2.37000 0.00000 0.00000 0.00000 0.03000 0.28000 0.00000 -0.13000 0.00000 -0.20000 0.00000 2.38000 66.00000 SHO1_1QCF-9_5.PDB 9.18454 -11.71000 -3.05000 -2.98000 -8.50000 -0.41000 7.69000 -11.02000 0.94000 4.18000 2.10000 0.00000 0.00000 0.00000 0.03000 0.41000 0.00000 -0.26000 0.00000 -0.42000 0.00000 2.38000 66.00000 SHO1_1QCF-9_6.PDB 8.76227 -10.19000 -2.18000 -2.06000 -8.58000 -0.41000 6.95000 -11.26000 1.62000 4.08000 2.48000 0.00000 0.00000 0.00000 0.03000 0.32000 0.00000 -0.38000 0.00000 -0.48000 0.00000 2.38000 66.00000 SHO1_1QCF-9_7.PDB 8.97317 -7.63000 -2.23000 -2.14000 -8.92000 -0.52000 7.30000 -11.42000 3.75000 4.68000 2.87000 0.00000 0.00000 0.00000 0.03000 0.32000 0.00000 -0.36000 0.00000 -0.66000 0.00000 2.38000 66.00000 SHO1_1QCF-9_8.PDB 8.95858 -10.81000 -2.96000 -2.83000 -8.84000 -0.53000 8.16000 -11.07000 1.48000 4.21000 2.28000 0.00000 0.00000 0.00000 0.01000 0.40000 0.00000 -0.30000 0.00000 -0.43000 0.00000 2.38000 66.00000 SHO1_1QCF-9_9.PDB 8.89499 -7.68000 -2.19000 -2.05000 -9.12000 -0.45000 7.67000 -11.87000 3.88000 4.47000 2.86000 0.00000 0.00000 0.00000 0.04000 0.33000 0.00000 -0.27000 0.00000 -0.65000 0.00000 2.38000 66.00000 SHO1_1QCF-9_10.PDB 8.49928 -10.11000 -2.14000 -2.01000 -8.69000 -0.49000 7.37000 -10.99000 1.37000 4.00000 2.29000 0.00000 0.00000 0.00000 0.04000 0.33000 0.00000 -0.42000 0.00000 -0.45000 0.00000 2.38000 66.00000 SHO1_1QCF-9_11.PDB 9.01672 -7.24000 -2.80000 -2.78000 -8.33000 -0.27000 7.68000 -10.79000 4.16000 3.98000 2.54000 0.00000 0.00000 0.00000 0.01000 0.31000 0.00000 -0.22000 0.00000 -0.42000 0.00000 2.38000 66.00000 SHO1_1QCF-9_12.PDB 9.32463 -9.55000 -1.28000 -1.23000 -8.10000 -0.05000 6.29000 -11.17000 1.57000 2.80000 2.10000 0.00000 0.00000 0.00000 0.03000 0.29000 0.00000 -0.32000 0.00000 -0.19000 0.00000 2.38000 66.00000 SHO1_1QCF-9_13.PDB 8.87050 -8.37000 -3.21000 -3.15000 -10.20000 -0.73000 9.48000 -12.85000 4.13000 5.89000 3.27000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -0.40000 0.00000 -0.64000 0.00000 2.38000 66.00000 SHO1_1QCF-9_14.PDB 8.77967 -7.72000 -2.18000 -2.09000 -8.49000 -0.51000 6.69000 -11.18000 4.37000 4.16000 2.49000 0.00000 0.00000 0.00000 0.02000 0.32000 0.00000 -0.32000 0.00000 -0.68000 0.00000 2.38000 66.00000 SHO1_1QCF-9_15.PDB 4.65332 -11.08000 -2.90000 -2.83000 -8.95000 -0.47000 8.29000 -11.46000 1.65000 4.13000 2.27000 0.00000 0.00000 0.00000 0.06000 0.38000 0.00000 -0.43000 0.00000 -0.44000 0.00000 2.38000 66.00000 SHO1_1QCF-9_16.PDB 9.36676 -9.83000 -2.94000 -2.89000 -8.83000 -0.19000 7.87000 -11.47000 2.05000 4.27000 2.82000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.23000 0.00000 -0.33000 0.00000 2.38000 66.00000 SHO1_1QCF-9_17.PDB 9.06631 -7.56000 -2.12000 -2.01000 -8.95000 -0.38000 7.63000 -11.65000 3.94000 4.30000 2.39000 0.00000 0.00000 0.00000 0.02000 0.36000 0.00000 -0.29000 0.00000 -0.44000 0.00000 2.38000 66.00000 SHO1_1QCF-9_18.PDB 5.24260 -9.81000 -2.19000 -2.08000 -9.50000 -0.73000 8.14000 -12.32000 2.25000 4.55000 2.96000 0.00000 0.00000 0.00000 0.10000 0.46000 0.00000 -0.48000 0.00000 -0.52000 0.00000 2.38000 66.00000 SHO1_1QCF-9_19.PDB 9.08705 -8.69000 -1.20000 -1.12000 -8.13000 -0.22000 6.14000 -11.08000 2.28000 3.08000 2.22000 0.00000 0.00000 0.00000 0.05000 0.33000 0.00000 -0.33000 0.00000 -0.37000 0.00000 2.38000 66.00000 SHO1_1QCF-9_20.PDB 8.74992 -8.89000 -2.94000 -2.83000 -8.63000 -0.42000 7.65000 -11.32000 3.90000 4.16000 2.21000 0.00000 0.00000 0.00000 0.01000 0.24000 0.00000 -0.28000 0.00000 -0.42000 0.00000 2.38000 66.00000 SHO1_1QCF-9_21.PDB 8.97860 -8.19000 -2.21000 -2.08000 -8.83000 -0.54000 7.02000 -11.50000 3.77000 4.39000 2.79000 0.00000 0.00000 0.00000 0.04000 0.32000 0.00000 -0.39000 0.00000 -0.66000 0.00000 2.38000 66.00000 SHO1_1QCF-9_22.PDB 4.45801 -7.76000 -2.95000 -2.86000 -8.35000 -0.52000 8.19000 -10.58000 3.76000 3.85000 2.40000 0.00000 0.00000 0.00000 0.06000 0.25000 0.00000 -0.33000 0.00000 -0.44000 0.00000 2.38000 66.00000 SHO1_1QCF-9_23.PDB 9.08555 -11.02000 -2.85000 -2.77000 -9.06000 -0.42000 8.06000 -11.87000 1.62000 4.42000 2.56000 0.00000 0.00000 0.00000 0.01000 0.33000 0.00000 -0.30000 0.00000 -0.41000 0.00000 2.38000 66.00000 SHO1_1QCF-9_24.PDB 9.42145 -9.05000 -1.27000 -1.19000 -8.14000 0.08000 6.07000 -11.35000 2.23000 2.82000 1.96000 0.00000 0.00000 0.00000 0.03000 0.33000 0.00000 -0.32000 0.00000 0.05000 0.00000 2.38000 66.00000 SHO1_1QCF-9_25.PDB 3.92259 -9.28000 -1.18000 -1.15000 -7.63000 0.03000 5.85000 -10.58000 1.40000 2.36000 1.87000 0.00000 0.00000 0.00000 0.01000 0.29000 0.00000 -0.31000 0.00000 0.05000 0.00000 2.38000 66.00000 SHO1_1QCF-9_26.PDB 4.32409 -9.93000 -2.03000 -1.98000 -8.34000 -0.09000 6.67000 -10.97000 1.38000 3.61000 2.42000 0.00000 0.00000 0.00000 0.05000 0.35000 0.00000 -0.42000 0.00000 -0.21000 0.00000 2.38000 66.00000 SHO1_1QCF-9_27.PDB 9.14267 -9.16000 -2.07000 -2.02000 -8.50000 -0.09000 6.70000 -11.25000 2.50000 3.91000 2.10000 0.00000 0.00000 0.00000 0.02000 0.35000 0.00000 -0.28000 0.00000 -0.18000 0.00000 2.38000 66.00000 SHO1_1QCF-9_28.PDB 8.82639 -10.08000 -1.24000 -1.18000 -7.98000 0.10000 5.70000 -11.11000 1.25000 2.78000 1.73000 0.00000 0.00000 0.00000 0.02000 0.38000 0.00000 -0.22000 0.00000 0.08000 0.00000 2.38000 66.00000 SHO1_1QCF-9_29.PDB 4.67904 -11.22000 -2.91000 -2.84000 -8.49000 -0.54000 7.98000 -10.89000 1.05000 3.86000 2.32000 0.00000 0.00000 0.00000 0.04000 0.28000 0.00000 -0.37000 0.00000 -0.43000 0.00000 2.38000 66.00000 SHO1_1QCF-9_30.PDB 4.29217 -10.20000 -2.17000 -2.08000 -9.03000 -0.58000 7.71000 -11.67000 2.63000 4.18000 2.24000 0.00000 0.00000 0.00000 0.05000 0.31000 0.00000 -0.94000 0.00000 -0.53000 0.00000 2.38000 66.00000