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-9_1.PDB 7.55684 -6.45000 -0.60000 -0.57000 -7.23000 -1.15000 6.84000 -9.41000 1.39000 3.41000 2.66000 0.00000 0.00000 0.00000 0.06000 0.24000 0.00000 -0.59000 0.00000 -1.25000 0.00000 2.38000 65.00000 SHO1_1QKX-9_2.PDB 8.79746 -9.07000 -0.67000 -2.84000 -8.03000 -0.67000 7.07000 -10.79000 1.98000 3.74000 2.36000 0.00000 0.00000 0.00000 0.08000 0.52000 0.00000 -0.47000 0.00000 -0.83000 0.00000 2.38000 65.00000 SHO1_1QKX-9_3.PDB 8.65328 -7.23000 -0.73000 -1.88000 -8.06000 -0.95000 7.84000 -10.76000 2.57000 4.13000 1.93000 0.00000 0.00000 0.00000 0.04000 0.30000 0.00000 -0.31000 0.00000 -1.05000 0.00000 2.38000 65.00000 SHO1_1QKX-9_4.PDB 8.71181 -8.09000 -0.67000 -0.63000 -8.69000 -0.75000 7.25000 -11.53000 2.56000 3.11000 2.60000 0.00000 0.00000 0.00000 0.06000 0.40000 0.00000 -0.62000 0.00000 -0.78000 0.00000 2.38000 65.00000 SHO1_1QKX-9_5.PDB 8.31036 -9.31000 -1.79000 -3.97000 -8.01000 -1.61000 8.21000 -9.81000 1.96000 5.13000 3.02000 0.00000 0.00000 0.00000 0.03000 0.36000 0.00000 -0.85000 0.00000 -1.62000 0.00000 2.38000 65.00000 SHO1_1QKX-9_6.PDB 7.96734 -8.74000 -1.17000 -3.07000 -8.60000 -1.15000 8.49000 -11.03000 1.78000 4.82000 2.52000 0.00000 0.00000 0.00000 0.08000 0.44000 0.00000 -0.23000 0.00000 -1.18000 0.00000 2.38000 65.00000 SHO1_1QKX-9_7.PDB 8.21537 -8.84000 -1.25000 -2.91000 -8.84000 -1.14000 8.17000 -11.43000 3.35000 4.11000 2.73000 0.00000 0.00000 0.00000 0.08000 0.32000 0.00000 -0.48000 0.00000 -1.22000 0.00000 2.38000 65.00000 SHO1_1QKX-9_8.PDB 9.08446 -7.71000 -1.18000 -2.87000 -8.84000 -0.91000 9.55000 -10.90000 1.53000 4.50000 3.07000 0.00000 0.00000 0.00000 0.17000 0.56000 0.00000 -0.75000 0.00000 -1.09000 0.00000 2.38000 65.00000 SHO1_1QKX-9_9.PDB 7.55466 -9.46000 -1.75000 -3.42000 -8.52000 -1.29000 9.16000 -10.73000 2.19000 4.26000 2.29000 0.00000 0.00000 0.00000 0.09000 0.30000 0.00000 -0.56000 0.00000 -1.17000 0.00000 2.38000 65.00000 SHO1_1QKX-9_10.PDB 8.93104 -8.22000 -0.67000 -3.75000 -7.61000 -0.98000 8.04000 -9.82000 1.74000 4.02000 2.33000 0.00000 0.00000 0.00000 0.05000 0.50000 0.00000 -0.43000 0.00000 -1.15000 0.00000 2.38000 65.00000 SHO1_1QKX-9_11.PDB 8.34629 -7.02000 -1.12000 -1.11000 -8.10000 -1.58000 7.41000 -10.49000 2.53000 4.41000 2.74000 0.00000 0.00000 0.00000 0.04000 0.49000 0.00000 -0.18000 0.00000 -1.55000 0.00000 2.38000 65.00000 SHO1_1QKX-9_12.PDB 8.95326 -8.52000 -0.71000 -2.34000 -8.16000 -0.97000 8.23000 -10.48000 1.52000 3.40000 2.54000 0.00000 0.00000 0.00000 0.04000 0.52000 0.00000 -0.50000 0.00000 -1.07000 0.00000 2.38000 65.00000 SHO1_1QKX-9_13.PDB 9.78420 -10.26000 -1.72000 -3.22000 -8.52000 -0.70000 7.70000 -11.14000 2.34000 3.87000 2.13000 0.00000 0.00000 0.00000 0.09000 0.39000 0.00000 -0.38000 0.00000 -0.71000 0.00000 2.38000 65.00000 SHO1_1QKX-9_14.PDB 7.88999 -7.64000 -1.30000 -3.02000 -8.69000 -0.49000 8.13000 -11.12000 3.22000 3.45000 3.48000 0.00000 0.00000 0.00000 0.13000 0.74000 0.00000 -0.64000 0.00000 -0.80000 0.00000 2.38000 65.00000 SHO1_1QKX-9_15.PDB 8.43713 -9.64000 -0.65000 -2.28000 -8.07000 -0.58000 7.22000 -10.89000 1.47000 3.19000 2.04000 0.00000 0.00000 0.00000 0.06000 0.29000 0.00000 -0.46000 0.00000 -0.67000 0.00000 2.38000 65.00000 SHO1_1QKX-9_16.PDB 8.78143 -9.80000 -1.32000 -3.09000 -8.70000 -0.81000 7.75000 -11.40000 2.74000 3.44000 2.98000 0.00000 0.00000 0.00000 0.10000 0.52000 0.00000 -0.59000 0.00000 -0.91000 0.00000 2.38000 65.00000 SHO1_1QKX-9_17.PDB 8.68737 -6.23000 -1.18000 -1.67000 -7.31000 -0.81000 6.45000 -9.72000 2.60000 4.15000 2.64000 0.00000 0.00000 0.00000 0.03000 0.55000 0.00000 -0.49000 0.00000 -0.92000 0.00000 2.38000 65.00000 SHO1_1QKX-9_18.PDB 8.77225 -7.13000 -1.22000 -1.15000 -8.73000 -1.08000 7.32000 -11.43000 3.25000 4.64000 2.82000 0.00000 0.00000 0.00000 0.04000 0.40000 0.00000 -0.44000 0.00000 -1.16000 0.00000 2.38000 65.00000 SHO1_1QKX-9_19.PDB 5.59806 -7.34000 -1.15000 -1.09000 -7.79000 -1.13000 7.63000 -9.82000 1.30000 3.59000 2.86000 0.00000 0.00000 0.00000 0.06000 0.41000 0.00000 -0.56000 0.00000 -1.24000 0.00000 2.38000 65.00000 SHO1_1QKX-9_20.PDB 8.29413 -8.46000 -1.15000 -1.22000 -8.13000 -1.07000 7.54000 -10.44000 1.36000 3.67000 2.57000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.53000 0.00000 -1.08000 0.00000 2.38000 65.00000 SHO1_1QKX-9_21.PDB 8.04894 -8.98000 -0.74000 -3.73000 -9.38000 -0.73000 9.96000 -11.69000 1.56000 4.59000 2.58000 0.00000 0.00000 0.00000 0.12000 0.53000 0.00000 -0.50000 0.00000 -1.03000 0.00000 2.38000 65.00000 SHO1_1QKX-9_22.PDB 7.00204 -8.54000 -1.15000 -3.23000 -7.87000 -1.46000 8.26000 -9.77000 1.37000 4.41000 2.37000 0.00000 0.00000 0.00000 0.05000 0.31000 0.00000 -0.23000 0.00000 -1.30000 0.00000 2.38000 65.00000 SHO1_1QKX-9_23.PDB 7.92324 -8.17000 -1.17000 -1.43000 -9.11000 -0.79000 8.26000 -11.79000 1.77000 4.55000 2.92000 0.00000 0.00000 0.00000 0.07000 0.35000 0.00000 -0.53000 0.00000 -0.92000 0.00000 2.38000 65.00000 SHO1_1QKX-9_24.PDB 8.67999 -9.35000 -0.69000 -2.70000 -8.25000 -0.95000 7.91000 -10.64000 1.57000 3.72000 2.15000 0.00000 0.00000 0.00000 0.04000 0.38000 0.00000 -0.40000 0.00000 -1.09000 0.00000 2.38000 65.00000 SHO1_1QKX-9_25.PDB 8.97446 -8.02000 -1.75000 -1.79000 -8.90000 -1.18000 8.05000 -11.34000 3.19000 4.12000 2.67000 0.00000 0.00000 0.00000 0.09000 0.53000 0.00000 -0.21000 0.00000 -0.99000 0.00000 2.38000 65.00000 SHO1_1QKX-9_26.PDB 8.78514 -8.84000 -1.14000 -1.10000 -9.40000 -0.80000 7.88000 -12.35000 2.49000 4.26000 2.55000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.50000 0.00000 -0.79000 0.00000 2.38000 65.00000 SHO1_1QKX-9_27.PDB 6.34563 -7.45000 -1.76000 -3.41000 -7.91000 -0.56000 8.04000 -9.75000 2.03000 3.74000 3.28000 0.00000 0.00000 0.00000 0.15000 0.48000 0.00000 -0.62000 0.00000 -0.69000 0.00000 2.38000 65.00000 SHO1_1QKX-9_28.PDB 6.71146 -7.88000 -1.15000 -1.09000 -7.72000 -0.95000 7.37000 -9.81000 1.42000 3.24000 2.39000 0.00000 0.00000 0.00000 0.06000 0.39000 0.00000 -0.63000 0.00000 -1.00000 0.00000 2.38000 65.00000 SHO1_1QKX-9_29.PDB 9.37233 -10.28000 -1.19000 -2.73000 -9.40000 -1.03000 8.46000 -12.10000 1.95000 4.63000 2.12000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.14000 0.00000 -0.90000 0.00000 2.38000 65.00000 SHO1_1QKX-9_30.PDB 7.69959 -8.25000 -1.73000 -3.73000 -7.87000 -1.59000 8.31000 -9.58000 2.13000 4.57000 3.25000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.48000 0.00000 -1.59000 0.00000 2.38000 65.00000