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-22_1.PDB 7.26062 -2.81000 -0.02000 -3.37000 -8.65000 -2.51000 8.98000 -11.15000 7.69000 7.07000 1.75000 0.00000 0.00000 0.00000 0.13000 1.21000 0.00000 -0.46000 0.00000 -2.28000 0.00000 2.38000 64.00000 SHO1_1QKX-22_2.PDB 8.08966 -4.82000 -0.02000 -2.65000 -8.03000 -2.84000 9.06000 -9.95000 5.12000 6.26000 1.90000 0.00000 0.00000 0.00000 0.06000 1.13000 0.00000 -0.92000 0.00000 -2.80000 0.00000 2.38000 64.00000 SHO1_1QKX-22_3.PDB 9.12140 -4.67000 -0.02000 -4.08000 -8.07000 -2.84000 10.05000 -10.19000 5.38000 6.83000 1.79000 0.00000 0.00000 0.00000 0.17000 0.97000 0.00000 -1.17000 0.00000 -2.52000 0.00000 2.38000 64.00000 SHO1_1QKX-22_4.PDB 8.55224 -5.77000 -0.02000 -2.69000 -8.67000 -2.31000 9.23000 -11.15000 4.83000 6.01000 1.92000 0.00000 0.00000 0.00000 0.05000 1.28000 0.00000 -0.66000 0.00000 -2.32000 0.00000 2.38000 64.00000 SHO1_1QKX-22_5.PDB 9.30930 -4.51000 -0.02000 -3.43000 -8.14000 -2.42000 8.72000 -10.36000 5.24000 6.78000 1.80000 0.00000 0.00000 0.00000 0.11000 0.92000 0.00000 -0.45000 0.00000 -2.34000 0.00000 2.38000 64.00000 SHO1_1QKX-22_6.PDB 8.19849 -3.62000 -0.02000 -3.05000 -7.38000 -2.28000 8.39000 -9.34000 5.11000 6.36000 1.59000 0.00000 0.00000 0.00000 0.08000 0.80000 0.00000 -0.66000 0.00000 -2.43000 0.00000 2.38000 64.00000 SHO1_1QKX-22_7.PDB 8.21765 -5.86000 -0.02000 -2.76000 -9.43000 -2.94000 10.23000 -11.62000 5.73000 6.25000 1.85000 0.00000 0.00000 0.00000 0.20000 1.27000 0.00000 -0.95000 0.00000 -2.42000 0.00000 2.38000 64.00000 SHO1_1QKX-22_8.PDB 8.05262 -4.05000 -0.02000 -3.99000 -8.20000 -2.18000 9.09000 -10.52000 4.97000 7.30000 2.28000 0.00000 0.00000 0.00000 0.09000 1.11000 0.00000 -0.57000 0.00000 -2.31000 0.00000 2.38000 64.00000 SHO1_1QKX-22_9.PDB 8.53967 -3.45000 -0.02000 -2.78000 -7.43000 -2.43000 8.68000 -9.10000 5.04000 6.43000 1.63000 0.00000 0.00000 0.00000 0.21000 0.70000 0.00000 -1.04000 0.00000 -2.64000 0.00000 2.38000 64.00000 SHO1_1QKX-22_10.PDB 7.71893 -6.05000 -0.02000 -2.67000 -9.14000 -2.72000 9.78000 -11.43000 5.15000 6.04000 1.98000 0.00000 0.00000 0.00000 0.09000 1.15000 0.00000 -0.62000 0.00000 -2.49000 0.00000 2.38000 64.00000 SHO1_1QKX-22_11.PDB 8.94057 -5.15000 -0.02000 -3.95000 -9.35000 -3.08000 10.64000 -11.49000 5.07000 7.71000 2.74000 0.00000 0.00000 0.00000 0.15000 1.50000 0.00000 -0.88000 0.00000 -2.69000 0.00000 2.38000 64.00000 SHO1_1QKX-22_12.PDB 8.16925 -3.22000 -0.02000 -3.15000 -7.71000 -2.70000 9.23000 -9.49000 4.93000 6.31000 2.31000 0.00000 0.00000 0.00000 0.05000 0.72000 0.00000 -0.47000 0.00000 -2.52000 0.00000 2.38000 64.00000 SHO1_1QKX-22_13.PDB 7.13934 -3.56000 -0.02000 -3.29000 -8.55000 -2.38000 9.61000 -10.73000 5.18000 7.12000 2.54000 0.00000 0.00000 0.00000 0.05000 1.11000 0.00000 -0.67000 0.00000 -2.44000 0.00000 2.38000 64.00000 SHO1_1QKX-22_14.PDB 8.28969 -5.72000 -0.56000 -4.74000 -9.38000 -3.99000 11.96000 -11.05000 4.38000 8.26000 3.19000 0.00000 0.00000 0.00000 0.06000 1.31000 0.00000 -1.12000 0.00000 -2.72000 0.00000 2.38000 64.00000 SHO1_1QKX-22_15.PDB 7.98784 -3.68000 -0.02000 -1.68000 -7.61000 -2.94000 9.23000 -9.12000 4.51000 5.15000 1.68000 0.00000 0.00000 0.00000 0.07000 0.78000 0.00000 -0.35000 0.00000 -2.61000 0.00000 2.38000 64.00000 SHO1_1QKX-22_16.PDB 9.86640 -6.14000 -0.02000 -2.62000 -8.96000 -2.67000 9.87000 -11.31000 4.45000 6.29000 1.97000 0.00000 0.00000 0.00000 0.11000 1.16000 0.00000 -0.72000 0.00000 -2.52000 0.00000 2.38000 64.00000 SHO1_1QKX-22_17.PDB 8.62269 -3.35000 -0.02000 -3.37000 -7.29000 -2.48000 8.60000 -8.88000 4.90000 6.39000 1.63000 0.00000 0.00000 0.00000 0.17000 0.58000 0.00000 -0.52000 0.00000 -2.48000 0.00000 2.38000 64.00000 SHO1_1QKX-22_18.PDB 8.31515 -3.64000 -0.02000 -3.23000 -7.26000 -1.96000 7.90000 -9.23000 4.69000 5.97000 2.40000 0.00000 0.00000 0.00000 0.04000 0.61000 0.00000 -0.62000 0.00000 -2.31000 0.00000 2.38000 64.00000 SHO1_1QKX-22_19.PDB 8.39335 -6.93000 -0.02000 -2.61000 -9.54000 -3.07000 10.07000 -11.77000 4.49000 6.38000 2.23000 0.00000 0.00000 0.00000 0.23000 1.38000 0.00000 -0.67000 0.00000 -2.64000 0.00000 2.38000 64.00000 SHO1_1QKX-22_20.PDB 8.30331 -3.59000 -0.02000 -3.30000 -8.26000 -3.04000 9.96000 -9.91000 5.95000 6.63000 1.77000 0.00000 0.00000 0.00000 0.08000 0.80000 0.00000 -0.81000 0.00000 -2.64000 0.00000 2.38000 64.00000 SHO1_1QKX-22_21.PDB 8.02979 -4.52000 -0.03000 -3.01000 -8.45000 -2.39000 9.42000 -10.61000 5.31000 6.12000 1.89000 0.00000 0.00000 0.00000 0.08000 1.11000 0.00000 -0.48000 0.00000 -2.37000 0.00000 2.38000 64.00000 SHO1_1QKX-22_22.PDB 8.18675 -4.48000 -0.05000 -3.35000 -8.88000 -2.33000 10.01000 -11.13000 4.45000 6.92000 2.61000 0.00000 0.00000 0.00000 0.09000 1.07000 0.00000 -0.63000 0.00000 -2.19000 0.00000 2.38000 64.00000 SHO1_1QKX-22_23.PDB 7.40270 -4.42000 -0.03000 -3.32000 -8.78000 -2.30000 9.70000 -11.14000 5.10000 6.77000 2.54000 0.00000 0.00000 0.00000 0.11000 1.08000 0.00000 -0.92000 0.00000 -2.15000 0.00000 2.38000 64.00000 SHO1_1QKX-22_24.PDB 8.75123 -4.55000 -0.04000 -3.51000 -9.51000 -2.91000 10.98000 -11.73000 4.84000 7.31000 2.90000 0.00000 0.00000 0.00000 0.13000 1.30000 0.00000 -0.61000 0.00000 -2.40000 0.00000 2.38000 64.00000 SHO1_1QKX-22_25.PDB 9.58578 -6.24000 -0.02000 -3.37000 -8.77000 -2.70000 9.99000 -10.75000 2.35000 6.82000 2.77000 0.00000 0.00000 0.00000 0.12000 1.02000 0.00000 -0.34000 0.00000 -2.34000 0.00000 2.38000 64.00000 SHO1_1QKX-22_26.PDB 8.13540 -3.64000 -0.04000 -2.46000 -7.69000 -1.93000 8.38000 -9.98000 3.83000 6.13000 2.76000 0.00000 0.00000 0.00000 0.09000 0.89000 0.00000 -0.60000 0.00000 -2.12000 0.00000 2.38000 64.00000 SHO1_1QKX-22_27.PDB 7.88354 -5.63000 -0.03000 -3.31000 -8.70000 -3.18000 10.03000 -10.79000 4.44000 6.84000 2.55000 0.00000 0.00000 0.00000 0.12000 1.15000 0.00000 -0.78000 0.00000 -2.82000 0.00000 2.38000 64.00000 SHO1_1QKX-22_28.PDB 8.07218 -4.51000 -0.84000 -4.57000 -8.81000 -2.66000 11.55000 -11.00000 4.99000 7.40000 2.74000 0.00000 0.00000 0.00000 0.08000 1.17000 0.00000 -0.98000 0.00000 -2.39000 0.00000 2.38000 64.00000 SHO1_1QKX-22_29.PDB 7.78965 -4.83000 -0.04000 -3.31000 -8.42000 -2.73000 9.03000 -10.74000 5.04000 6.65000 2.59000 0.00000 0.00000 0.00000 0.07000 0.90000 0.00000 -0.44000 0.00000 -2.55000 0.00000 2.38000 64.00000 SHO1_1QKX-22_30.PDB 8.15668 -3.14000 -0.02000 -3.41000 -8.42000 -2.20000 9.42000 -10.44000 4.92000 6.69000 2.83000 0.00000 0.00000 0.00000 0.09000 0.77000 0.00000 -0.53000 0.00000 -2.08000 0.00000 2.38000 64.00000