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-7_1.PDB 9.37818 -11.42000 -0.71000 -0.58000 -6.79000 -1.00000 4.72000 -9.60000 0.34000 2.79000 1.38000 0.00000 0.00000 0.00000 0.02000 0.17000 0.00000 -0.75000 0.00000 -1.25000 0.00000 2.38000 66.00000 SHO1_1QCF-7_2.PDB 4.87971 -10.59000 -0.76000 -1.28000 -6.95000 -1.27000 5.49000 -9.50000 0.78000 3.14000 1.65000 0.00000 0.00000 0.00000 0.01000 0.18000 0.00000 -0.36000 0.00000 -1.55000 0.00000 2.38000 66.00000 SHO1_1QCF-7_3.PDB 8.81341 -10.01000 -0.76000 -0.61000 -7.09000 -1.07000 5.60000 -9.85000 0.18000 3.36000 1.70000 0.00000 0.00000 0.00000 0.04000 0.29000 0.00000 -0.27000 0.00000 -1.24000 0.00000 2.38000 66.00000 SHO1_1QCF-7_4.PDB 9.53824 -10.28000 -0.78000 -1.38000 -7.04000 -1.26000 5.76000 -9.70000 0.30000 3.87000 1.89000 0.00000 0.00000 0.00000 0.02000 0.29000 0.00000 -0.43000 0.00000 -1.54000 0.00000 2.38000 66.00000 SHO1_1QCF-7_5.PDB 7.87762 -10.70000 -0.74000 -1.80000 -6.88000 -0.61000 4.98000 -9.59000 0.20000 3.36000 1.58000 0.00000 0.00000 0.00000 0.02000 0.19000 0.00000 -0.53000 0.00000 -0.71000 0.00000 2.38000 66.00000 SHO1_1QCF-7_6.PDB 8.98014 -10.29000 -0.66000 -1.28000 -7.19000 -1.14000 5.94000 -9.82000 0.45000 3.38000 1.76000 0.00000 0.00000 0.00000 0.01000 0.16000 0.00000 -0.37000 0.00000 -1.38000 0.00000 2.38000 66.00000 SHO1_1QCF-7_7.PDB 8.39875 -9.63000 -0.82000 -0.82000 -7.41000 -1.02000 6.08000 -10.17000 0.35000 3.63000 2.05000 0.00000 0.00000 0.00000 0.03000 0.31000 0.00000 -0.41000 0.00000 -1.11000 0.00000 2.38000 66.00000 SHO1_1QCF-7_8.PDB 9.50499 -9.04000 -0.65000 -1.79000 -7.60000 -2.01000 8.01000 -10.18000 0.61000 4.45000 2.08000 0.00000 0.00000 0.00000 0.03000 0.38000 0.00000 -0.37000 0.00000 -1.62000 0.00000 2.38000 66.00000 SHO1_1QCF-7_9.PDB 8.69247 -10.81000 -0.71000 -1.45000 -6.91000 -1.22000 5.63000 -9.39000 0.37000 3.27000 1.52000 0.00000 0.00000 0.00000 0.01000 0.17000 0.00000 -0.50000 0.00000 -1.42000 0.00000 2.38000 66.00000 SHO1_1QCF-7_10.PDB 8.96133 -10.97000 -0.76000 -1.41000 -7.07000 -1.33000 5.88000 -9.59000 0.40000 3.42000 1.71000 0.00000 0.00000 0.00000 0.02000 0.18000 0.00000 -0.60000 0.00000 -1.64000 0.00000 2.38000 66.00000 SHO1_1QCF-7_11.PDB 4.10982 -9.29000 -0.72000 -1.26000 -6.77000 -1.16000 5.37000 -9.36000 0.33000 3.68000 2.04000 0.00000 0.00000 0.00000 0.03000 0.29000 0.00000 -0.12000 0.00000 -1.36000 0.00000 2.38000 66.00000 SHO1_1QCF-7_12.PDB 9.28787 -10.54000 -0.76000 -1.39000 -7.17000 -0.74000 5.48000 -9.87000 0.49000 3.32000 1.29000 0.00000 0.00000 0.00000 0.01000 0.15000 0.00000 -0.35000 0.00000 -0.85000 0.00000 2.38000 66.00000 SHO1_1QCF-7_13.PDB 10.84128 -9.48000 -0.65000 -1.20000 -6.90000 -1.27000 5.69000 -9.43000 0.52000 3.85000 1.64000 0.00000 0.00000 0.00000 0.03000 0.33000 0.00000 -0.22000 0.00000 -1.54000 0.00000 2.38000 66.00000 SHO1_1QCF-7_14.PDB 9.31650 -9.66000 -0.68000 -0.58000 -6.87000 -0.76000 5.27000 -9.37000 0.44000 2.77000 1.48000 0.00000 0.00000 0.00000 0.01000 0.15000 0.00000 -0.37000 0.00000 -1.00000 0.00000 2.38000 66.00000 SHO1_1QCF-7_15.PDB 7.86209 -8.56000 -0.71000 -0.56000 -6.89000 -0.52000 5.35000 -9.51000 0.54000 3.14000 1.48000 0.00000 0.00000 0.00000 0.04000 0.28000 0.00000 -0.26000 0.00000 -0.66000 0.00000 2.38000 66.00000 SHO1_1QCF-7_16.PDB 9.46740 -8.59000 -0.75000 -1.44000 -6.88000 -0.96000 5.81000 -9.36000 0.69000 3.85000 1.89000 0.00000 0.00000 0.00000 0.03000 0.35000 0.00000 -0.32000 0.00000 -1.15000 0.00000 2.38000 66.00000 SHO1_1QCF-7_17.PDB 7.82716 -10.23000 -0.66000 -1.41000 -7.08000 -1.01000 5.63000 -9.65000 0.47000 3.27000 1.56000 0.00000 0.00000 0.00000 0.01000 0.17000 0.00000 -0.20000 0.00000 -1.17000 0.00000 2.38000 66.00000 SHO1_1QCF-7_18.PDB 8.16107 -10.16000 -0.72000 -1.22000 -6.73000 -1.18000 5.54000 -9.15000 0.39000 3.17000 1.62000 0.00000 0.00000 0.00000 0.00000 0.17000 0.00000 -0.52000 0.00000 -1.35000 0.00000 2.38000 66.00000 SHO1_1QCF-7_19.PDB 8.94170 -9.76000 -0.63000 -1.34000 -6.84000 -1.15000 5.91000 -9.20000 0.21000 3.20000 1.73000 0.00000 0.00000 0.00000 0.01000 0.14000 0.00000 -0.29000 0.00000 -1.37000 0.00000 2.38000 66.00000 SHO1_1QCF-7_20.PDB 8.82923 -10.27000 -0.75000 -1.29000 -8.25000 -0.96000 6.28000 -11.45000 0.32000 4.64000 2.43000 0.00000 0.00000 0.00000 0.05000 0.51000 0.00000 -0.17000 0.00000 -1.11000 0.00000 2.38000 66.00000 SHO1_1QCF-7_21.PDB 9.46582 -9.81000 -0.71000 -1.35000 -6.55000 -1.25000 5.42000 -8.94000 0.18000 3.29000 1.82000 0.00000 0.00000 0.00000 0.01000 0.17000 0.00000 -0.24000 0.00000 -1.50000 0.00000 2.38000 66.00000 SHO1_1QCF-7_22.PDB 9.21836 -8.72000 -0.64000 -1.24000 -7.92000 -1.12000 6.53000 -10.83000 0.43000 4.55000 3.04000 0.00000 0.00000 0.00000 0.05000 0.45000 0.00000 -0.20000 0.00000 -1.36000 0.00000 2.38000 66.00000 SHO1_1QCF-7_23.PDB 10.00856 -9.82000 -0.88000 -1.60000 -6.79000 -1.17000 5.90000 -9.26000 0.25000 3.74000 1.73000 0.00000 0.00000 0.00000 0.04000 0.24000 0.00000 -0.42000 0.00000 -1.35000 0.00000 2.38000 66.00000 SHO1_1QCF-7_24.PDB 4.80922 -8.50000 -0.63000 -0.90000 -6.55000 -1.25000 5.86000 -8.86000 0.52000 3.44000 1.56000 0.00000 0.00000 0.00000 0.03000 0.33000 0.00000 -0.19000 0.00000 -1.52000 0.00000 2.38000 66.00000 SHO1_1QCF-7_25.PDB 4.11719 -10.62000 -0.74000 -1.45000 -6.83000 -0.75000 4.93000 -9.58000 0.20000 3.34000 1.40000 0.00000 0.00000 0.00000 0.01000 0.17000 0.00000 -0.36000 0.00000 -0.80000 0.00000 2.38000 66.00000 SHO1_1QCF-7_26.PDB 4.64008 -9.00000 -0.71000 -0.60000 -7.04000 -0.71000 5.57000 -9.52000 0.41000 2.80000 1.83000 0.00000 0.00000 0.00000 0.01000 0.18000 0.00000 -0.14000 0.00000 -0.90000 0.00000 2.38000 66.00000 SHO1_1QCF-7_27.PDB 8.62185 -9.82000 -0.74000 -0.64000 -6.89000 -0.49000 5.14000 -9.47000 0.28000 2.70000 1.31000 0.00000 0.00000 0.00000 0.01000 0.15000 0.00000 -0.39000 0.00000 -0.65000 0.00000 2.38000 66.00000 SHO1_1QCF-7_28.PDB 8.16599 -9.85000 -0.76000 -1.65000 -6.51000 -0.81000 5.23000 -8.90000 0.49000 3.13000 1.46000 0.00000 0.00000 0.00000 0.02000 0.15000 0.00000 -0.55000 0.00000 -0.98000 0.00000 2.38000 66.00000 SHO1_1QCF-7_29.PDB 4.49293 -10.11000 -0.69000 -0.98000 -7.54000 -0.95000 5.67000 -10.50000 0.50000 3.77000 1.91000 0.00000 0.00000 0.00000 0.03000 0.25000 0.00000 -0.27000 0.00000 -1.06000 0.00000 2.38000 66.00000 SHO1_1QCF-7_30.PDB 7.06433 -10.10000 -0.78000 -1.43000 -7.24000 -1.06000 6.10000 -9.74000 0.41000 3.44000 1.82000 0.00000 0.00000 0.00000 0.01000 0.16000 0.00000 -0.38000 0.00000 -1.24000 0.00000 2.38000 66.00000