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-27_1.PDB 8.27120 -11.63000 -2.13000 -2.78000 -10.50000 -1.61000 9.87000 -13.56000 2.61000 5.53000 2.99000 0.00000 0.00000 0.00000 0.25000 1.02000 0.00000 -0.59000 0.00000 -1.70000 0.00000 2.38000 66.00000 SHO1_1QKX-27_2.PDB 7.03906 -9.50000 -3.25000 -5.66000 -11.18000 -2.66000 12.00000 -13.85000 6.25000 7.85000 3.77000 0.00000 0.00000 0.00000 0.05000 1.36000 0.00000 -0.67000 0.00000 -2.14000 0.00000 2.38000 66.00000 SHO1_1QKX-27_3.PDB 8.74368 -10.88000 -3.60000 -3.54000 -11.48000 -2.63000 12.79000 -14.05000 4.22000 6.94000 3.06000 0.00000 0.00000 0.00000 0.06000 1.35000 0.00000 -0.49000 0.00000 -2.15000 0.00000 2.38000 66.00000 SHO1_1QKX-27_4.PDB 8.69944 -11.98000 -3.91000 -3.89000 -11.18000 -2.38000 12.61000 -13.70000 3.27000 6.72000 3.10000 0.00000 0.00000 0.00000 0.06000 1.28000 0.00000 -0.65000 0.00000 -2.04000 0.00000 2.38000 66.00000 SHO1_1QKX-27_5.PDB 8.57945 -12.49000 -3.44000 -3.76000 -11.29000 -2.54000 12.27000 -13.98000 2.96000 7.07000 2.95000 0.00000 0.00000 0.00000 0.07000 1.30000 0.00000 -0.73000 0.00000 -2.07000 0.00000 2.38000 66.00000 SHO1_1QKX-27_6.PDB 10.07031 -11.64000 -2.23000 -2.88000 -10.84000 -1.55000 10.18000 -13.93000 2.80000 5.50000 3.29000 0.00000 0.00000 0.00000 0.28000 0.96000 0.00000 -0.63000 0.00000 -1.65000 0.00000 2.38000 66.00000 SHO1_1QKX-27_7.PDB 8.01901 -12.00000 -1.32000 -3.89000 -10.75000 -2.16000 9.32000 -14.07000 3.70000 6.30000 3.33000 0.00000 0.00000 0.00000 0.30000 1.19000 0.00000 -0.69000 0.00000 -2.07000 0.00000 2.38000 66.00000 SHO1_1QKX-27_8.PDB 8.62745 -9.12000 -3.15000 -5.51000 -10.14000 -2.52000 10.87000 -12.60000 5.54000 7.45000 3.39000 0.00000 0.00000 0.00000 0.05000 1.41000 0.00000 -0.44000 0.00000 -2.06000 0.00000 2.38000 66.00000 SHO1_1QKX-27_9.PDB 8.54637 -10.75000 -3.19000 -5.42000 -10.70000 -2.67000 12.01000 -13.13000 4.23000 7.15000 3.73000 0.00000 0.00000 0.00000 0.05000 1.34000 0.00000 -0.79000 0.00000 -2.02000 0.00000 2.38000 66.00000 SHO1_1QKX-27_10.PDB 9.65458 -11.49000 -3.43000 -3.68000 -11.32000 -2.45000 12.80000 -13.82000 2.88000 7.10000 2.99000 0.00000 0.00000 0.00000 0.06000 1.28000 0.00000 -0.55000 0.00000 -2.09000 0.00000 2.38000 66.00000 SHO1_1QKX-27_11.PDB 8.38027 -10.51000 -1.31000 -2.09000 -10.20000 -1.76000 9.28000 -13.36000 3.01000 5.06000 3.21000 0.00000 0.00000 0.00000 0.30000 1.07000 0.00000 -0.84000 0.00000 -1.79000 0.00000 2.38000 66.00000 SHO1_1QKX-27_12.PDB 9.72195 -11.60000 -3.44000 -3.85000 -11.59000 -2.71000 12.87000 -14.14000 3.59000 7.34000 2.99000 0.00000 0.00000 0.00000 0.07000 1.25000 0.00000 -0.55000 0.00000 -2.18000 0.00000 2.38000 66.00000 SHO1_1QKX-27_13.PDB 7.80711 -8.46000 -3.30000 -3.25000 -11.40000 -2.73000 12.47000 -14.10000 6.46000 6.77000 3.28000 0.00000 0.00000 0.00000 0.11000 1.29000 0.00000 -0.62000 0.00000 -2.16000 0.00000 2.38000 66.00000 SHO1_1QKX-27_14.PDB 9.31835 -8.96000 -3.55000 -3.56000 -11.64000 -2.47000 13.17000 -14.15000 4.47000 7.06000 3.46000 0.00000 0.00000 0.00000 0.73000 1.35000 0.00000 -0.66000 0.00000 -1.80000 0.00000 2.38000 66.00000 SHO1_1QKX-27_15.PDB 10.09464 -12.31000 -2.30000 -2.99000 -10.93000 -1.57000 10.10000 -14.14000 2.60000 5.61000 3.27000 0.00000 0.00000 0.00000 0.29000 0.99000 0.00000 -0.58000 0.00000 -1.65000 0.00000 2.38000 66.00000 SHO1_1QKX-27_16.PDB 8.90604 -9.88000 -3.34000 -3.29000 -11.67000 -2.72000 12.82000 -14.41000 5.60000 6.80000 3.15000 0.00000 0.00000 0.00000 0.11000 1.30000 0.00000 -0.74000 0.00000 -2.19000 0.00000 2.38000 66.00000 SHO1_1QKX-27_17.PDB 10.08940 -9.77000 -2.98000 -4.61000 -10.56000 -2.26000 11.48000 -13.32000 4.28000 7.02000 2.99000 0.00000 0.00000 0.00000 0.61000 1.34000 0.00000 -0.50000 0.00000 -1.92000 0.00000 2.38000 66.00000 SHO1_1QKX-27_18.PDB 8.44003 -10.59000 -3.49000 -3.43000 -11.54000 -2.42000 12.75000 -14.18000 4.02000 6.85000 3.26000 0.00000 0.00000 0.00000 0.06000 1.25000 0.00000 -0.39000 0.00000 -2.07000 0.00000 2.38000 66.00000 SHO1_1QKX-27_19.PDB 8.88217 -11.42000 -1.20000 -3.89000 -9.51000 -2.04000 8.16000 -12.50000 2.69000 6.24000 3.12000 0.00000 0.00000 0.00000 0.24000 1.04000 0.00000 -0.71000 0.00000 -2.02000 0.00000 2.38000 66.00000 SHO1_1QKX-27_20.PDB 8.90530 -11.44000 -1.33000 -4.11000 -9.65000 -1.62000 7.97000 -12.84000 2.98000 6.00000 3.11000 0.00000 0.00000 0.00000 0.24000 1.04000 0.00000 -0.47000 0.00000 -1.72000 0.00000 2.38000 66.00000 SHO1_1QKX-27_21.PDB 10.44295 -10.21000 -3.83000 -4.32000 -11.81000 -2.59000 13.21000 -14.36000 5.04000 7.36000 3.18000 0.00000 0.00000 0.00000 0.72000 1.31000 0.00000 -0.75000 0.00000 -2.07000 0.00000 2.38000 66.00000 SHO1_1QKX-27_22.PDB 8.41110 -11.47000 -3.39000 -3.33000 -10.76000 -2.20000 11.24000 -13.59000 3.67000 6.68000 2.54000 0.00000 0.00000 0.00000 0.05000 1.38000 0.00000 -0.69000 0.00000 -1.69000 0.00000 2.38000 66.00000 SHO1_1QKX-27_23.PDB 11.25698 -11.03000 -1.71000 -3.19000 -10.70000 -1.50000 10.12000 -13.69000 2.25000 6.31000 2.93000 0.00000 0.00000 0.00000 0.40000 1.11000 0.00000 -0.62000 0.00000 -1.65000 0.00000 2.38000 66.00000 SHO1_1QKX-27_24.PDB 9.98562 -11.81000 -1.75000 -2.58000 -11.36000 -2.25000 10.73000 -14.57000 3.31000 6.41000 2.84000 0.00000 0.00000 0.00000 0.26000 1.01000 0.00000 -0.62000 0.00000 -2.22000 0.00000 2.38000 66.00000 SHO1_1QKX-27_25.PDB 9.28905 -10.05000 -2.81000 -2.79000 -10.83000 -2.34000 11.54000 -13.47000 3.48000 6.56000 3.23000 0.00000 0.00000 0.00000 0.06000 1.39000 0.00000 -0.71000 0.00000 -1.98000 0.00000 2.38000 66.00000 SHO1_1QKX-27_26.PDB 9.33123 -12.30000 -3.28000 -3.45000 -10.52000 -2.40000 10.88000 -13.33000 2.53000 6.85000 3.05000 0.00000 0.00000 0.00000 0.04000 1.35000 0.00000 -0.73000 0.00000 -1.95000 0.00000 2.38000 66.00000 SHO1_1QKX-27_27.PDB 7.69740 -13.64000 -3.17000 -7.17000 -10.86000 -2.17000 12.17000 -13.22000 2.21000 7.47000 3.55000 0.00000 0.00000 0.00000 0.27000 1.18000 0.00000 -0.72000 0.00000 -1.98000 0.00000 2.38000 66.00000 SHO1_1QKX-27_28.PDB 7.99237 -9.52000 -2.77000 -2.71000 -11.36000 -2.42000 11.56000 -14.45000 5.19000 6.66000 3.35000 0.00000 0.00000 0.00000 0.05000 1.42000 0.00000 -0.59000 0.00000 -2.02000 0.00000 2.38000 66.00000 SHO1_1QKX-27_29.PDB 8.50705 -10.17000 -3.50000 -3.46000 -11.48000 -2.17000 12.73000 -14.06000 4.10000 6.78000 2.96000 0.00000 0.00000 0.00000 0.08000 1.37000 0.00000 -0.52000 0.00000 -1.61000 0.00000 2.38000 66.00000 SHO1_1QKX-27_30.PDB 7.98149 -11.71000 -3.45000 -5.02000 -11.52000 -2.29000 12.61000 -14.10000 3.69000 7.17000 3.30000 0.00000 0.00000 0.00000 0.06000 1.36000 0.00000 -0.42000 0.00000 -1.75000 0.00000 2.38000 66.00000