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-12_1.PDB 9.23995 -5.45000 -0.04000 -2.98000 -4.56000 -2.79000 5.68000 -5.08000 2.06000 2.75000 1.01000 0.00000 0.00000 0.00000 0.27000 0.28000 0.00000 0.04000 0.00000 -1.81000 0.00000 2.38000 65.00000 SHO1_1QKX-12_2.PDB 8.89805 -5.69000 -0.00000 -3.57000 -4.68000 -3.00000 5.82000 -5.10000 2.23000 3.11000 1.04000 0.00000 0.00000 0.00000 0.25000 0.33000 0.00000 0.10000 0.00000 -1.89000 0.00000 2.38000 65.00000 SHO1_1QKX-12_3.PDB 9.22082 -5.76000 0.00000 -0.78000 -5.05000 -4.05000 6.13000 -5.46000 1.79000 3.04000 1.68000 0.00000 0.00000 0.00000 0.09000 0.32000 0.00000 -0.40000 0.00000 -2.76000 0.00000 2.38000 65.00000 SHO1_1QKX-12_4.PDB 8.52405 -4.15000 -0.04000 -0.51000 -4.74000 -3.25000 5.75000 -5.25000 1.64000 3.12000 1.43000 0.00000 0.00000 0.00000 0.05000 0.32000 0.00000 -0.35000 0.00000 -1.98000 0.00000 2.38000 65.00000 SHO1_1QKX-12_5.PDB 8.32936 -1.25000 -0.11000 -0.86000 -4.53000 -1.60000 5.19000 -5.08000 2.16000 3.51000 1.46000 0.00000 0.00000 0.00000 0.12000 0.42000 0.00000 -0.16000 0.00000 -1.35000 0.00000 2.38000 65.00000 SHO1_1QKX-12_6.PDB 8.19702 -5.17000 0.00000 -2.34000 -4.66000 -2.62000 5.62000 -5.33000 2.39000 2.82000 0.86000 0.00000 0.00000 0.00000 0.05000 0.23000 0.00000 -0.39000 0.00000 -1.57000 0.00000 2.38000 65.00000 SHO1_1QKX-12_7.PDB 8.15215 -5.27000 -0.04000 -2.94000 -4.96000 -3.11000 6.24000 -5.32000 2.90000 2.90000 1.10000 0.00000 0.00000 0.00000 0.07000 0.33000 0.00000 -0.04000 0.00000 -2.06000 0.00000 2.38000 65.00000 SHO1_1QKX-12_8.PDB 10.04136 -7.44000 -0.01000 -0.69000 -5.91000 -3.64000 6.18000 -7.02000 2.12000 2.84000 1.34000 0.00000 0.00000 0.00000 0.44000 0.41000 0.00000 -0.90000 0.00000 -2.18000 0.00000 2.38000 65.00000 SHO1_1QKX-12_9.PDB 9.77735 -6.51000 -0.04000 -2.97000 -4.85000 -3.16000 5.89000 -5.38000 1.59000 3.15000 1.56000 0.00000 0.00000 0.00000 0.34000 0.26000 0.00000 -0.38000 0.00000 -2.26000 0.00000 2.38000 65.00000 SHO1_1QKX-12_10.PDB 8.53232 -5.41000 -0.04000 -2.76000 -4.52000 -2.49000 5.56000 -5.03000 1.48000 2.85000 1.03000 0.00000 0.00000 0.00000 0.11000 0.24000 0.00000 -0.10000 0.00000 -1.51000 0.00000 2.38000 65.00000 SHO1_1QKX-12_11.PDB 8.58268 -6.02000 -0.04000 -2.98000 -4.64000 -2.53000 5.65000 -5.22000 1.49000 2.76000 1.08000 0.00000 0.00000 0.00000 0.19000 0.34000 0.00000 -0.27000 0.00000 -1.51000 0.00000 2.38000 65.00000 SHO1_1QKX-12_12.PDB 9.33760 -6.50000 0.00000 -2.63000 -4.69000 -3.06000 5.49000 -5.32000 1.65000 2.84000 1.09000 0.00000 0.00000 0.00000 0.31000 0.29000 0.00000 -0.00000 0.00000 -2.17000 0.00000 2.38000 65.00000 SHO1_1QKX-12_13.PDB 10.40408 -6.25000 -0.04000 -2.87000 -4.65000 -2.96000 5.77000 -5.27000 1.43000 2.94000 1.34000 0.00000 0.00000 0.00000 0.32000 0.27000 0.00000 -0.27000 0.00000 -1.99000 0.00000 2.38000 65.00000 SHO1_1QKX-12_14.PDB 8.70723 -5.76000 0.00000 -3.68000 -4.84000 -2.92000 5.86000 -5.30000 2.56000 3.32000 0.90000 0.00000 0.00000 0.00000 0.05000 0.30000 0.00000 -0.05000 0.00000 -1.65000 0.00000 2.38000 65.00000 SHO1_1QKX-12_15.PDB 9.86794 -5.82000 0.00000 -0.65000 -4.26000 -3.30000 5.25000 -4.72000 0.36000 2.71000 1.40000 0.00000 0.00000 0.00000 0.12000 0.27000 0.00000 -0.46000 0.00000 -2.26000 0.00000 2.38000 65.00000 SHO1_1QKX-12_16.PDB 9.49130 -6.16000 -0.04000 -2.91000 -4.58000 -2.76000 5.46000 -5.34000 1.44000 3.02000 1.21000 0.00000 0.00000 0.00000 0.12000 0.16000 0.00000 0.03000 0.00000 -1.83000 0.00000 2.38000 65.00000 SHO1_1QKX-12_17.PDB 9.08937 -5.99000 -0.00000 -2.82000 -4.42000 -2.82000 5.31000 -4.84000 1.59000 2.66000 0.98000 0.00000 0.00000 0.00000 0.30000 0.32000 0.00000 -0.11000 0.00000 -1.80000 0.00000 2.38000 65.00000 SHO1_1QKX-12_18.PDB 8.17710 -5.27000 0.00000 -2.67000 -4.67000 -2.46000 5.86000 -5.35000 1.59000 2.95000 0.90000 0.00000 0.00000 0.00000 0.05000 0.17000 0.00000 -0.03000 0.00000 -1.44000 0.00000 2.38000 65.00000 SHO1_1QKX-12_19.PDB 8.48789 -4.52000 -0.04000 -1.13000 -4.54000 -3.06000 5.72000 -4.94000 1.68000 2.55000 1.25000 0.00000 0.00000 0.00000 0.10000 0.26000 0.00000 -0.15000 0.00000 -1.96000 0.00000 2.38000 65.00000 SHO1_1QKX-12_20.PDB 9.02391 -5.56000 -0.04000 -1.18000 -5.23000 -3.65000 6.60000 -5.58000 1.73000 3.41000 1.98000 0.00000 0.00000 0.00000 0.08000 0.33000 0.00000 -0.91000 0.00000 -2.77000 0.00000 2.38000 65.00000 SHO1_1QKX-12_21.PDB 9.06210 -5.64000 -0.00000 -2.44000 -4.50000 -2.46000 5.31000 -5.07000 1.49000 2.80000 0.89000 0.00000 0.00000 0.00000 0.14000 0.26000 0.00000 -0.42000 0.00000 -1.39000 0.00000 2.38000 65.00000 SHO1_1QKX-12_22.PDB 8.68720 -5.15000 0.00000 -2.62000 -4.59000 -2.75000 5.42000 -5.19000 2.12000 2.78000 1.07000 0.00000 0.00000 0.00000 0.31000 0.26000 0.00000 -0.03000 0.00000 -1.68000 0.00000 2.38000 65.00000 SHO1_1QKX-12_23.PDB 8.03864 -3.66000 -0.04000 -0.96000 -4.93000 -2.74000 6.08000 -5.26000 2.39000 2.67000 1.48000 0.00000 0.00000 0.00000 0.11000 0.37000 0.00000 -0.51000 0.00000 -1.95000 0.00000 2.38000 65.00000 SHO1_1QKX-12_24.PDB 8.62508 -5.59000 0.00000 -2.85000 -4.56000 -2.50000 5.59000 -5.03000 1.44000 2.91000 0.89000 0.00000 0.00000 0.00000 0.03000 0.19000 0.00000 0.08000 0.00000 -1.59000 0.00000 2.38000 65.00000 SHO1_1QKX-12_25.PDB 12.82981 -4.52000 0.33000 -0.70000 -6.63000 -3.57000 6.51000 -8.07000 4.76000 3.37000 1.52000 0.00000 0.00000 0.00000 0.17000 0.68000 0.00000 -0.18000 0.00000 -2.04000 0.00000 2.38000 65.00000 SHO1_1QKX-12_26.PDB 8.86434 -5.34000 -0.04000 -1.28000 -4.70000 -3.48000 6.12000 -4.95000 1.20000 2.79000 1.40000 0.00000 0.00000 0.00000 0.07000 0.37000 0.00000 -0.29000 0.00000 -2.17000 0.00000 2.38000 65.00000 SHO1_1QKX-12_27.PDB 9.29038 -5.91000 -0.01000 -0.06000 -5.82000 -3.92000 6.12000 -6.92000 3.07000 2.87000 1.54000 0.00000 0.00000 0.00000 0.22000 0.41000 0.00000 -0.41000 0.00000 -2.59000 0.00000 2.38000 65.00000 SHO1_1QKX-12_28.PDB 8.15778 -3.38000 -0.00000 -0.62000 -4.96000 -3.09000 5.92000 -5.32000 2.67000 2.79000 1.41000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.29000 0.00000 -1.94000 0.00000 2.38000 65.00000 SHO1_1QKX-12_29.PDB 8.68205 -5.89000 -0.04000 -2.99000 -5.05000 -3.59000 6.36000 -5.51000 2.52000 3.51000 1.50000 0.00000 0.00000 0.00000 0.07000 0.39000 0.00000 -0.18000 0.00000 -2.50000 0.00000 2.38000 65.00000 SHO1_1QKX-12_30.PDB 10.99040 -5.26000 -0.06000 -1.26000 -5.61000 -1.01000 4.92000 -7.08000 2.06000 2.72000 1.25000 0.00000 0.00000 0.00000 0.43000 0.44000 0.00000 -0.53000 0.00000 -1.08000 0.00000 2.38000 65.00000