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-23_1.PDB 3.98022 -3.10000 -1.33000 -1.30000 -6.48000 -0.51000 6.09000 -8.44000 3.61000 3.80000 2.08000 0.00000 0.00000 0.00000 0.16000 0.39000 0.00000 -0.21000 0.00000 -0.56000 0.00000 2.38000 64.00000 SHO1_1QKX-23_2.PDB 4.67585 -2.64000 -0.66000 -0.60000 -6.33000 -0.66000 5.37000 -8.47000 3.87000 3.25000 2.64000 0.00000 0.00000 0.00000 0.13000 0.29000 0.00000 -0.37000 0.00000 -0.80000 0.00000 2.38000 64.00000 SHO1_1QKX-23_3.PDB 3.81775 -2.97000 -0.63000 -0.60000 -6.07000 -0.79000 5.52000 -7.79000 2.90000 2.76000 2.76000 0.00000 0.00000 0.00000 0.05000 0.27000 0.00000 -0.22000 0.00000 -0.88000 0.00000 2.38000 64.00000 SHO1_1QKX-23_4.PDB 4.31504 -2.63000 -1.37000 -1.36000 -6.36000 -0.57000 6.24000 -8.22000 3.66000 3.71000 2.19000 0.00000 0.00000 0.00000 0.15000 0.34000 0.00000 -0.06000 0.00000 -0.64000 0.00000 2.38000 64.00000 SHO1_1QKX-23_5.PDB 4.01566 -3.03000 -0.67000 -0.60000 -6.61000 -0.92000 5.56000 -8.69000 3.60000 3.72000 2.81000 0.00000 0.00000 0.00000 0.13000 0.33000 0.00000 -0.33000 0.00000 -1.04000 0.00000 2.38000 64.00000 SHO1_1QKX-23_6.PDB 4.27873 -2.71000 -0.64000 -0.57000 -6.39000 -1.07000 5.58000 -8.34000 3.52000 3.60000 2.67000 0.00000 0.00000 0.00000 0.19000 0.35000 0.00000 -0.05000 0.00000 -1.23000 0.00000 2.38000 64.00000 SHO1_1QKX-23_7.PDB 4.55603 -3.28000 -0.67000 -0.60000 -5.64000 -0.93000 4.69000 -7.68000 3.50000 2.82000 2.41000 0.00000 0.00000 0.00000 0.13000 0.38000 0.00000 -0.26000 0.00000 -1.05000 0.00000 2.38000 64.00000 SHO1_1QKX-23_8.PDB 3.28547 -3.53000 -1.37000 -1.34000 -6.77000 -0.66000 5.96000 -8.86000 3.66000 4.04000 2.59000 0.00000 0.00000 0.00000 0.15000 0.36000 0.00000 -0.17000 0.00000 -0.77000 0.00000 2.38000 64.00000 SHO1_1QKX-23_9.PDB 3.15366 -2.76000 -1.15000 -1.13000 -6.66000 -0.62000 6.25000 -8.68000 3.89000 3.74000 2.31000 0.00000 0.00000 0.00000 0.15000 0.37000 0.00000 -0.18000 0.00000 -0.68000 0.00000 2.38000 64.00000 SHO1_1QKX-23_10.PDB 4.21129 -3.41000 -0.67000 -0.60000 -6.57000 -0.68000 5.38000 -8.88000 3.69000 3.15000 2.83000 0.00000 0.00000 0.00000 0.12000 0.35000 0.00000 -0.38000 0.00000 -0.81000 0.00000 2.38000 64.00000 SHO1_1QKX-23_11.PDB 4.05686 -2.46000 -0.64000 -0.58000 -6.10000 -0.53000 5.22000 -8.15000 3.78000 3.06000 2.27000 0.00000 0.00000 0.00000 0.13000 0.26000 0.00000 -0.32000 0.00000 -0.58000 0.00000 2.38000 64.00000 SHO1_1QKX-23_12.PDB 4.08681 -2.86000 -0.67000 -0.60000 -6.46000 -0.70000 5.64000 -8.54000 3.54000 3.03000 2.76000 0.00000 0.00000 0.00000 0.17000 0.43000 0.00000 -0.25000 0.00000 -0.77000 0.00000 2.38000 64.00000 SHO1_1QKX-23_13.PDB 3.26543 -1.80000 -0.62000 -0.56000 -6.76000 -0.81000 5.61000 -8.91000 4.83000 3.45000 2.83000 0.00000 0.00000 0.00000 0.32000 0.38000 0.00000 -0.33000 0.00000 -0.86000 0.00000 2.38000 64.00000 SHO1_1QKX-23_14.PDB 3.33771 -3.28000 -1.37000 -1.35000 -6.90000 -0.68000 6.41000 -9.04000 3.88000 4.04000 2.55000 0.00000 0.00000 0.00000 0.16000 0.50000 0.00000 -0.25000 0.00000 -0.74000 0.00000 2.38000 64.00000 SHO1_1QKX-23_15.PDB 3.20320 -3.73000 -1.26000 -1.24000 -6.94000 -0.67000 6.15000 -9.10000 3.58000 4.05000 2.69000 0.00000 0.00000 0.00000 0.13000 0.40000 0.00000 -0.33000 0.00000 -0.80000 0.00000 2.38000 64.00000 SHO1_1QKX-23_16.PDB 3.14859 -2.89000 -1.13000 -1.12000 -7.27000 -0.44000 6.67000 -9.54000 4.27000 3.81000 2.55000 0.00000 0.00000 0.00000 0.09000 0.38000 0.00000 -0.29000 0.00000 -0.49000 0.00000 2.38000 64.00000 SHO1_1QKX-23_17.PDB 3.31502 -2.89000 -0.67000 -0.60000 -6.30000 -0.95000 5.47000 -8.24000 3.55000 3.19000 2.93000 0.00000 0.00000 0.00000 0.11000 0.28000 0.00000 -0.21000 0.00000 -1.15000 0.00000 2.38000 64.00000 SHO1_1QKX-23_18.PDB 4.11608 -3.15000 -0.68000 -0.60000 -6.32000 -0.64000 5.41000 -8.44000 3.55000 2.98000 2.44000 0.00000 0.00000 0.00000 0.08000 0.27000 0.00000 -0.19000 0.00000 -0.72000 0.00000 2.38000 64.00000 SHO1_1QKX-23_19.PDB 4.19078 -2.69000 -0.66000 -0.60000 -6.41000 -0.79000 5.78000 -8.39000 3.56000 2.94000 2.84000 0.00000 0.00000 0.00000 0.11000 0.29000 0.00000 -0.15000 0.00000 -0.91000 0.00000 2.38000 64.00000 SHO1_1QKX-23_20.PDB 3.20107 -2.85000 -0.65000 -0.60000 -6.91000 -0.67000 5.92000 -9.30000 3.87000 3.55000 2.86000 0.00000 0.00000 0.00000 0.09000 0.32000 0.00000 -0.27000 0.00000 -0.74000 0.00000 2.38000 64.00000 SHO1_1QKX-23_21.PDB 4.08501 -3.00000 -0.62000 -0.58000 -6.70000 -0.63000 5.59000 -9.10000 3.91000 3.21000 2.63000 0.00000 0.00000 0.00000 0.12000 0.34000 0.00000 -0.09000 0.00000 -0.74000 0.00000 2.38000 64.00000 SHO1_1QKX-23_22.PDB 3.31861 -3.09000 -1.41000 -1.39000 -6.85000 -0.71000 6.60000 -8.83000 3.78000 4.39000 2.21000 0.00000 0.00000 0.00000 0.10000 0.35000 0.00000 -0.19000 0.00000 -0.79000 0.00000 2.38000 64.00000 SHO1_1QKX-23_23.PDB 4.03185 -2.30000 -0.63000 -0.56000 -5.56000 -0.64000 4.88000 -7.48000 3.55000 2.52000 2.44000 0.00000 0.00000 0.00000 0.15000 0.31000 0.00000 -0.25000 0.00000 -0.71000 0.00000 2.38000 64.00000 SHO1_1QKX-23_24.PDB 4.08791 -3.06000 -1.27000 -1.25000 -6.49000 -0.96000 6.34000 -8.28000 3.65000 4.09000 2.25000 0.00000 0.00000 0.00000 0.08000 0.34000 0.00000 -0.10000 0.00000 -1.13000 0.00000 2.38000 64.00000 SHO1_1QKX-23_25.PDB 3.11374 -1.64000 -0.67000 -0.60000 -5.87000 -0.61000 5.28000 -7.75000 3.70000 2.74000 2.79000 0.00000 0.00000 0.00000 0.15000 0.30000 0.00000 -0.14000 0.00000 -0.66000 0.00000 2.38000 64.00000 SHO1_1QKX-23_26.PDB 4.00597 -2.19000 -0.67000 -0.60000 -5.75000 -0.57000 5.11000 -7.56000 3.42000 2.69000 2.43000 0.00000 0.00000 0.00000 0.14000 0.33000 0.00000 -0.19000 0.00000 -0.63000 0.00000 2.38000 64.00000 SHO1_1QKX-23_27.PDB 4.02287 -2.15000 -0.67000 -0.61000 -6.15000 -0.73000 5.36000 -8.08000 3.99000 2.94000 2.59000 0.00000 0.00000 0.00000 0.21000 0.45000 0.00000 -0.22000 0.00000 -0.80000 0.00000 2.38000 64.00000 SHO1_1QKX-23_28.PDB 3.33786 -2.60000 -1.04000 -1.02000 -6.71000 -0.58000 6.01000 -8.70000 3.95000 3.77000 2.41000 0.00000 0.00000 0.00000 0.17000 0.29000 0.00000 -0.16000 0.00000 -0.69000 0.00000 2.38000 64.00000 SHO1_1QKX-23_29.PDB 4.04627 -2.24000 -1.42000 -1.40000 -5.89000 -0.76000 6.00000 -7.45000 3.71000 3.83000 1.99000 0.00000 0.00000 0.00000 0.14000 0.34000 0.00000 -0.17000 0.00000 -0.82000 0.00000 2.38000 64.00000 SHO1_1QKX-23_30.PDB 3.52853 -3.25000 -0.67000 -0.60000 -6.74000 -0.71000 5.47000 -9.11000 3.66000 3.32000 3.03000 0.00000 0.00000 0.00000 0.19000 0.45000 0.00000 -0.29000 0.00000 -0.79000 0.00000 2.38000 64.00000