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_1QKX-7_1.PDB 9.89781 -8.68000 -0.66000 -0.60000 -7.62000 -1.50000 6.34000 -10.07000 1.37000 3.71000 2.25000 0.00000 0.00000 0.00000 0.07000 0.33000 0.00000 -0.33000 0.00000 -1.65000 0.00000 2.38000 65.00000 SHO1_1QKX-7_2.PDB 9.36647 -7.91000 -0.64000 -1.45000 -7.86000 -1.55000 6.56000 -10.46000 1.82000 5.10000 2.38000 0.00000 0.00000 0.00000 0.08000 0.35000 0.00000 -0.31000 0.00000 -1.58000 0.00000 2.38000 65.00000 SHO1_1QKX-7_3.PDB 10.15523 -9.35000 -0.96000 -0.90000 -7.80000 -1.10000 6.09000 -10.55000 2.23000 2.99000 2.16000 0.00000 0.00000 0.00000 0.04000 0.48000 0.00000 -0.42000 0.00000 -1.13000 0.00000 2.38000 65.00000 SHO1_1QKX-7_4.PDB 9.71871 -9.30000 -0.73000 -0.47000 -7.94000 -0.99000 6.27000 -10.85000 2.58000 2.78000 1.74000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -0.69000 0.00000 -1.08000 0.00000 2.38000 65.00000 SHO1_1QKX-7_5.PDB 9.60121 -9.08000 -0.65000 -0.61000 -8.43000 -1.54000 6.84000 -11.08000 1.66000 4.39000 2.33000 0.00000 0.00000 0.00000 0.08000 0.34000 0.00000 -0.39000 0.00000 -1.67000 0.00000 2.38000 65.00000 SHO1_1QKX-7_6.PDB 9.74566 -7.79000 -1.78000 -1.74000 -7.99000 -1.06000 8.43000 -10.15000 2.93000 3.39000 1.61000 0.00000 0.00000 0.00000 0.09000 0.68000 0.00000 -0.45000 0.00000 -1.06000 0.00000 2.38000 65.00000 SHO1_1QKX-7_7.PDB 9.39559 -7.29000 -0.65000 -1.34000 -7.29000 -1.41000 6.25000 -9.50000 1.34000 4.61000 2.39000 0.00000 0.00000 0.00000 0.09000 0.34000 0.00000 -0.30000 0.00000 -1.49000 0.00000 2.38000 65.00000 SHO1_1QKX-7_8.PDB 9.47166 -8.85000 -0.69000 -0.63000 -7.65000 -1.48000 6.25000 -10.15000 2.06000 3.12000 2.03000 0.00000 0.00000 0.00000 0.02000 0.48000 0.00000 -0.29000 0.00000 -1.45000 0.00000 2.38000 65.00000 SHO1_1QKX-7_9.PDB 9.58082 -9.76000 -0.97000 -0.89000 -8.04000 -1.29000 6.31000 -10.93000 2.17000 3.22000 2.43000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.41000 0.00000 -1.39000 0.00000 2.38000 65.00000 SHO1_1QKX-7_10.PDB 10.25027 -7.74000 -1.82000 -1.75000 -8.06000 -0.83000 8.50000 -10.19000 2.19000 3.25000 1.90000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.12000 0.00000 -0.89000 0.00000 2.38000 65.00000 SHO1_1QKX-7_11.PDB 9.66504 -8.87000 -0.95000 -1.64000 -7.43000 -1.14000 5.96000 -10.15000 2.03000 3.88000 2.22000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.49000 0.00000 -1.17000 0.00000 2.38000 65.00000 SHO1_1QKX-7_12.PDB 8.79552 -8.62000 -0.66000 -0.64000 -7.49000 -1.45000 5.96000 -10.16000 1.62000 4.27000 1.90000 0.00000 0.00000 0.00000 0.06000 0.26000 0.00000 -0.32000 0.00000 -1.72000 0.00000 2.38000 65.00000 SHO1_1QKX-7_13.PDB 9.86186 -8.24000 -0.97000 -0.92000 -7.45000 -1.01000 5.79000 -10.20000 2.60000 3.09000 2.15000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.27000 0.00000 -1.08000 0.00000 2.38000 65.00000 SHO1_1QKX-7_14.PDB 9.78487 -8.02000 -0.88000 -0.85000 -7.66000 -1.45000 7.14000 -9.88000 1.44000 3.70000 1.96000 0.00000 0.00000 0.00000 0.11000 0.35000 0.00000 -0.12000 0.00000 -1.53000 0.00000 2.38000 65.00000 SHO1_1QKX-7_15.PDB 9.69151 -9.28000 -0.92000 -1.75000 -7.91000 -2.12000 7.37000 -10.10000 1.53000 4.65000 2.71000 0.00000 0.00000 0.00000 0.05000 0.36000 0.00000 -0.59000 0.00000 -2.20000 0.00000 2.38000 65.00000 SHO1_1QKX-7_16.PDB 9.72288 -7.90000 -0.94000 -0.87000 -7.46000 -1.68000 6.87000 -9.55000 1.32000 3.82000 2.56000 0.00000 0.00000 0.00000 0.08000 0.35000 0.00000 -0.25000 0.00000 -1.81000 0.00000 2.38000 65.00000 SHO1_1QKX-7_17.PDB 9.50034 -8.52000 -0.93000 -0.89000 -7.60000 -1.21000 6.26000 -10.23000 1.40000 4.09000 2.11000 0.00000 0.00000 0.00000 0.06000 0.33000 0.00000 -0.28000 0.00000 -1.31000 0.00000 2.38000 65.00000 SHO1_1QKX-7_18.PDB 9.03036 -9.32000 -0.71000 -0.62000 -7.88000 -0.73000 5.76000 -10.84000 2.49000 2.82000 1.67000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.42000 0.00000 -0.88000 0.00000 2.38000 65.00000 SHO1_1QKX-7_19.PDB 10.23433 -7.24000 -1.56000 -1.45000 -8.89000 -2.21000 9.52000 -10.95000 3.42000 4.38000 2.25000 0.00000 0.00000 0.00000 0.09000 0.72000 0.00000 -0.38000 0.00000 -1.45000 0.00000 2.38000 65.00000 SHO1_1QKX-7_20.PDB 9.77988 -10.54000 -0.98000 -0.89000 -7.75000 -1.11000 5.82000 -10.64000 1.53000 3.04000 2.03000 0.00000 0.00000 0.00000 0.03000 0.44000 0.00000 -0.37000 0.00000 -1.24000 0.00000 2.38000 65.00000 SHO1_1QKX-7_21.PDB 9.70007 -6.80000 -0.96000 -1.86000 -7.66000 -2.02000 7.61000 -9.52000 2.93000 4.56000 2.47000 0.00000 0.00000 0.00000 0.08000 0.34000 0.00000 -0.43000 0.00000 -1.98000 0.00000 2.38000 65.00000 SHO1_1QKX-7_22.PDB 10.68911 -7.33000 -0.67000 -1.45000 -8.67000 -2.92000 8.76000 -10.69000 3.43000 4.67000 2.47000 0.00000 0.00000 0.00000 0.08000 0.47000 0.00000 -0.40000 0.00000 -1.94000 0.00000 2.38000 65.00000 SHO1_1QKX-7_23.PDB 9.48158 -8.21000 -0.72000 -0.60000 -7.83000 -1.03000 6.37000 -10.44000 2.77000 2.60000 2.04000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.30000 0.00000 -1.12000 0.00000 2.38000 65.00000 SHO1_1QKX-7_24.PDB 9.64307 -7.96000 -0.69000 -0.64000 -7.51000 -1.52000 6.28000 -9.94000 2.74000 2.97000 1.90000 0.00000 0.00000 0.00000 0.03000 0.47000 0.00000 -0.26000 0.00000 -1.31000 0.00000 2.38000 65.00000 SHO1_1QKX-7_25.PDB 9.44896 -9.09000 -0.90000 -0.89000 -7.44000 -0.84000 5.65000 -10.30000 1.82000 3.20000 1.86000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.38000 0.00000 -0.92000 0.00000 2.38000 65.00000 SHO1_1QKX-7_26.PDB 9.02872 -8.13000 -0.68000 -0.64000 -7.78000 -0.82000 5.79000 -10.79000 2.90000 3.24000 1.85000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.40000 0.00000 -0.87000 0.00000 2.38000 65.00000 SHO1_1QKX-7_27.PDB 9.21571 -8.17000 -1.57000 -1.49000 -8.15000 -0.95000 8.48000 -10.49000 2.77000 2.66000 1.78000 0.00000 0.00000 0.00000 0.08000 0.63000 0.00000 -0.33000 0.00000 -0.97000 0.00000 2.38000 65.00000 SHO1_1QKX-7_28.PDB 9.54254 -7.96000 -1.54000 -1.50000 -7.83000 -1.62000 8.96000 -9.43000 2.44000 2.89000 1.60000 0.00000 0.00000 0.00000 0.12000 0.66000 0.00000 -0.33000 0.00000 -1.72000 0.00000 2.38000 65.00000 SHO1_1QKX-7_29.PDB 9.06901 -7.33000 -0.68000 -0.60000 -7.40000 -1.14000 6.49000 -9.62000 1.45000 3.54000 2.08000 0.00000 0.00000 0.00000 0.08000 0.33000 0.00000 -0.20000 0.00000 -1.33000 0.00000 2.38000 65.00000 SHO1_1QKX-7_30.PDB 10.13339 -8.61000 -0.95000 -0.88000 -8.20000 -0.66000 6.34000 -11.19000 2.76000 3.31000 1.95000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.43000 0.00000 -0.70000 0.00000 2.38000 65.00000