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-17_1.PDB 8.07192 -4.31000 -1.60000 -5.61000 -10.11000 -2.34000 13.03000 -12.37000 5.18000 7.58000 5.07000 0.00000 0.00000 0.00000 0.09000 0.99000 0.00000 -1.13000 0.00000 -2.10000 0.00000 2.38000 66.00000 SHO1_1QKX-17_2.PDB 7.51721 -5.17000 -2.44000 -4.75000 -9.69000 -1.73000 10.70000 -11.99000 6.26000 7.21000 3.87000 0.00000 0.00000 0.00000 0.09000 0.93000 0.00000 -0.94000 0.00000 -1.76000 0.00000 2.38000 66.00000 SHO1_1QKX-17_3.PDB 7.83622 -3.72000 -1.58000 -4.09000 -10.35000 -2.43000 13.36000 -12.26000 5.98000 6.60000 4.15000 0.00000 0.00000 0.00000 0.09000 1.08000 0.00000 -0.98000 0.00000 -2.20000 0.00000 2.38000 66.00000 SHO1_1QKX-17_4.PDB 7.89316 -3.72000 -1.64000 -5.04000 -9.49000 -1.80000 11.38000 -11.68000 5.69000 7.25000 3.91000 0.00000 0.00000 0.00000 0.11000 0.82000 0.00000 -0.55000 0.00000 -1.86000 0.00000 2.38000 66.00000 SHO1_1QKX-17_5.PDB 7.25112 -5.06000 -1.59000 -4.91000 -9.79000 -3.42000 13.23000 -11.81000 4.70000 7.37000 4.50000 0.00000 0.00000 0.00000 0.13000 0.93000 0.00000 -0.89000 0.00000 -2.59000 0.00000 2.38000 66.00000 SHO1_1QKX-17_6.PDB 7.76962 -4.27000 -1.61000 -3.98000 -9.07000 -1.65000 10.55000 -11.32000 4.78000 6.17000 4.26000 0.00000 0.00000 0.00000 0.19000 0.90000 0.00000 -0.78000 0.00000 -1.81000 0.00000 2.38000 66.00000 SHO1_1QKX-17_7.PDB 8.37406 -4.60000 -1.66000 -4.11000 -9.61000 -1.75000 10.59000 -11.97000 4.82000 7.08000 4.31000 0.00000 0.00000 0.00000 0.13000 0.87000 0.00000 -0.61000 0.00000 -1.81000 0.00000 2.38000 66.00000 SHO1_1QKX-17_8.PDB 8.70391 -3.74000 -1.59000 -3.87000 -9.69000 -2.79000 13.26000 -11.46000 6.15000 6.13000 3.94000 0.00000 0.00000 0.00000 0.10000 0.91000 0.00000 -1.51000 0.00000 -2.39000 0.00000 2.38000 66.00000 SHO1_1QKX-17_9.PDB 8.32431 -5.63000 -1.63000 -5.71000 -10.20000 -2.47000 12.73000 -12.45000 6.02000 7.64000 3.57000 0.00000 0.00000 0.00000 0.08000 0.92000 0.00000 -1.01000 0.00000 -2.22000 0.00000 2.38000 66.00000 SHO1_1QKX-17_10.PDB 8.14410 -5.84000 -1.64000 -5.57000 -10.32000 -2.53000 12.61000 -12.71000 6.11000 7.76000 3.48000 0.00000 0.00000 0.00000 0.28000 0.95000 0.00000 -1.11000 0.00000 -2.19000 0.00000 2.38000 66.00000 SHO1_1QKX-17_11.PDB 8.23195 -3.96000 -1.61000 -4.68000 -10.38000 -2.68000 13.02000 -12.79000 5.83000 7.75000 4.45000 0.00000 0.00000 0.00000 0.29000 0.96000 0.00000 -0.87000 0.00000 -2.28000 0.00000 2.38000 66.00000 SHO1_1QKX-17_12.PDB 7.61993 -2.44000 -1.61000 -2.46000 -9.05000 -2.29000 11.66000 -11.02000 5.77000 5.49000 4.39000 0.00000 0.00000 0.00000 0.07000 0.76000 0.00000 -1.24000 0.00000 -2.17000 0.00000 2.38000 66.00000 SHO1_1QKX-17_13.PDB 9.20436 -3.81000 -1.63000 -2.31000 -8.88000 -2.50000 11.76000 -10.86000 4.91000 5.33000 3.57000 0.00000 0.00000 0.00000 0.15000 0.78000 0.00000 -1.05000 0.00000 -2.31000 0.00000 2.38000 66.00000 SHO1_1QKX-17_14.PDB 8.15502 -4.70000 -1.55000 -5.54000 -9.88000 -1.77000 11.19000 -12.31000 5.40000 7.59000 4.16000 0.00000 0.00000 0.00000 0.11000 0.84000 0.00000 -0.27000 0.00000 -1.82000 0.00000 2.38000 66.00000 SHO1_1QKX-17_15.PDB 8.27999 -5.05000 -1.63000 -3.98000 -9.92000 -2.42000 12.24000 -12.19000 5.44000 6.91000 3.74000 0.00000 0.00000 0.00000 0.12000 1.00000 0.00000 -1.14000 0.00000 -2.20000 0.00000 2.38000 66.00000 SHO1_1QKX-17_16.PDB 9.14844 -3.40000 -1.57000 -2.26000 -9.86000 -1.89000 11.76000 -12.02000 5.07000 5.76000 4.10000 0.00000 0.00000 0.00000 0.09000 0.90000 0.00000 -0.70000 0.00000 -1.90000 0.00000 2.38000 66.00000 SHO1_1QKX-17_17.PDB 8.35942 -4.03000 -2.39000 -4.80000 -9.97000 -1.60000 11.49000 -12.27000 6.11000 7.30000 4.25000 0.00000 0.00000 0.00000 0.08000 0.91000 0.00000 -0.51000 0.00000 -1.69000 0.00000 2.38000 66.00000 SHO1_1QKX-17_18.PDB 9.11316 -5.60000 -1.57000 -5.47000 -10.04000 -2.17000 12.02000 -12.25000 5.94000 7.87000 3.24000 0.00000 0.00000 0.00000 0.09000 0.89000 0.00000 -1.15000 0.00000 -2.11000 0.00000 2.38000 66.00000 SHO1_1QKX-17_19.PDB 7.49064 -3.86000 -1.65000 -2.31000 -9.69000 -1.78000 10.98000 -12.06000 5.19000 5.83000 3.82000 0.00000 0.00000 0.00000 0.07000 0.92000 0.00000 -0.42000 0.00000 -1.82000 0.00000 2.38000 66.00000 SHO1_1QKX-17_20.PDB 8.29894 -5.19000 -1.65000 -3.87000 -9.67000 -1.71000 10.72000 -11.98000 4.82000 6.57000 3.93000 0.00000 0.00000 0.00000 0.24000 0.90000 0.00000 -0.81000 0.00000 -1.80000 0.00000 2.38000 66.00000 SHO1_1QKX-17_21.PDB 8.48007 -6.34000 -1.63000 -5.71000 -9.69000 -2.37000 12.18000 -12.00000 5.04000 7.59000 3.71000 0.00000 0.00000 0.00000 0.13000 0.87000 0.00000 -1.37000 0.00000 -2.20000 0.00000 2.38000 66.00000 SHO1_1QKX-17_22.PDB 8.65083 -3.12000 -1.59000 -2.42000 -9.39000 -2.36000 12.07000 -11.50000 5.09000 5.71000 3.95000 0.00000 0.00000 0.00000 0.28000 0.82000 0.00000 -0.75000 0.00000 -2.22000 0.00000 2.38000 66.00000 SHO1_1QKX-17_23.PDB 9.13051 -3.18000 -1.60000 -2.30000 -9.35000 -2.72000 12.71000 -11.29000 5.94000 5.50000 3.33000 0.00000 0.00000 0.00000 0.12000 0.79000 0.00000 -1.21000 0.00000 -2.32000 0.00000 2.38000 66.00000 SHO1_1QKX-17_24.PDB 7.32978 -2.15000 -1.52000 -2.27000 -9.60000 -2.44000 12.21000 -11.67000 6.38000 5.83000 4.28000 0.00000 0.00000 0.00000 0.09000 0.90000 0.00000 -1.22000 0.00000 -2.21000 0.00000 2.38000 66.00000 SHO1_1QKX-17_25.PDB 8.66970 -5.70000 -1.60000 -3.93000 -9.76000 -2.47000 11.77000 -12.15000 5.53000 6.71000 3.46000 0.00000 0.00000 0.00000 0.16000 0.93000 0.00000 -1.16000 0.00000 -2.26000 0.00000 2.38000 66.00000 SHO1_1QKX-17_26.PDB 8.48024 -3.80000 -2.41000 -3.19000 -9.32000 -2.33000 11.60000 -11.27000 6.02000 6.25000 4.19000 0.00000 0.00000 0.00000 0.13000 0.87000 0.00000 -1.33000 0.00000 -2.15000 0.00000 2.38000 66.00000 SHO1_1QKX-17_27.PDB 8.11312 -3.59000 -1.64000 -2.38000 -9.42000 -2.54000 12.11000 -11.40000 5.82000 5.71000 3.40000 0.00000 0.00000 0.00000 0.08000 0.80000 0.00000 -1.03000 0.00000 -2.29000 0.00000 2.38000 66.00000 SHO1_1QKX-17_28.PDB 7.50245 -5.67000 -1.61000 -5.59000 -9.76000 -1.45000 10.75000 -12.29000 4.97000 7.21000 4.10000 0.00000 0.00000 0.00000 0.10000 0.92000 0.00000 -0.50000 0.00000 -1.59000 0.00000 2.38000 66.00000 SHO1_1QKX-17_29.PDB 7.72882 -5.23000 -1.61000 -4.74000 -9.92000 -1.78000 11.11000 -12.27000 5.12000 7.43000 3.86000 0.00000 0.00000 0.00000 0.09000 0.95000 0.00000 -0.73000 0.00000 -1.79000 0.00000 2.38000 66.00000 SHO1_1QKX-17_30.PDB 8.84085 -4.03000 -1.60000 -3.94000 -10.24000 -2.60000 13.00000 -12.53000 6.00000 7.03000 3.85000 0.00000 0.00000 0.00000 0.10000 1.05000 0.00000 -0.82000 0.00000 -2.27000 0.00000 2.38000 66.00000