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-21_1.PDB 13.46347 -5.55000 -1.68000 -1.62000 -6.79000 -2.95000 8.10000 -8.54000 5.71000 4.98000 1.08000 0.00000 0.00000 0.00000 0.52000 0.75000 0.00000 -1.68000 0.00000 -2.68000 0.00000 2.38000 67.00000 SHO1_1QKX-21_2.PDB 11.43487 -3.07000 -1.83000 -1.94000 -7.77000 -2.85000 9.27000 -9.40000 7.05000 6.02000 1.38000 0.00000 0.00000 0.00000 0.64000 0.85000 0.00000 -1.01000 0.00000 -2.62000 0.00000 2.38000 67.00000 SHO1_1QKX-21_3.PDB 10.92547 -3.65000 -1.78000 -2.72000 -6.79000 -2.25000 8.48000 -8.73000 6.06000 5.35000 0.83000 0.00000 0.00000 0.00000 0.63000 0.67000 0.00000 -0.66000 0.00000 -2.07000 0.00000 2.38000 67.00000 SHO1_1QKX-21_4.PDB 14.78856 -11.33000 -1.78000 -2.72000 -7.15000 -4.85000 8.84000 -8.42000 3.01000 4.86000 1.00000 0.00000 0.00000 0.00000 0.17000 0.77000 0.00000 -1.17000 0.00000 -3.12000 0.00000 2.38000 67.00000 SHO1_1QKX-21_5.PDB 12.27961 -4.84000 -1.69000 -2.59000 -7.03000 -2.07000 8.10000 -8.95000 5.15000 5.74000 0.86000 0.00000 0.00000 0.00000 0.49000 0.80000 0.00000 -0.77000 0.00000 -2.09000 0.00000 2.38000 67.00000 SHO1_1QKX-21_6.PDB 12.08697 -3.25000 -1.64000 -1.72000 -7.30000 -2.13000 9.01000 -9.35000 5.90000 5.41000 1.04000 0.00000 0.00000 0.00000 0.59000 0.82000 0.00000 -0.99000 0.00000 -2.10000 0.00000 2.38000 67.00000 SHO1_1QKX-21_7.PDB 10.92724 -6.19000 -2.09000 -2.10000 -8.20000 -3.20000 10.53000 -9.29000 3.69000 7.13000 1.30000 0.00000 0.00000 0.00000 0.26000 0.89000 0.00000 -1.36000 0.00000 -2.86000 0.00000 2.38000 67.00000 SHO1_1QKX-21_8.PDB 14.37296 -5.50000 -1.92000 -2.21000 -7.54000 -2.45000 8.24000 -9.38000 5.62000 5.74000 1.02000 0.00000 0.00000 0.00000 0.17000 0.67000 0.00000 -0.54000 0.00000 -2.23000 0.00000 2.38000 67.00000 SHO1_1QKX-21_9.PDB 9.55336 -7.81000 -2.62000 -2.63000 -8.13000 -3.26000 10.44000 -9.29000 3.85000 7.03000 1.08000 0.00000 0.00000 0.00000 0.21000 0.92000 0.00000 -1.53000 0.00000 -2.96000 0.00000 2.38000 67.00000 SHO1_1QKX-21_10.PDB 13.60176 -5.72000 -1.95000 -1.89000 -6.99000 -3.13000 8.37000 -8.80000 6.46000 4.81000 1.01000 0.00000 0.00000 0.00000 0.61000 0.87000 0.00000 -1.53000 0.00000 -2.68000 0.00000 2.38000 67.00000 SHO1_1QKX-21_11.PDB 9.68129 -7.13000 -2.57000 -2.57000 -8.02000 -2.66000 10.44000 -9.61000 3.59000 6.64000 0.90000 0.00000 0.00000 0.00000 0.24000 1.03000 0.00000 -1.10000 0.00000 -2.40000 0.00000 2.38000 67.00000 SHO1_1QKX-21_12.PDB 11.02916 -7.89000 -2.63000 -2.49000 -7.66000 -3.68000 10.07000 -8.82000 4.08000 6.25000 1.50000 0.00000 0.00000 0.00000 0.22000 0.89000 0.00000 -1.68000 0.00000 -3.06000 0.00000 2.38000 67.00000 SHO1_1QKX-21_13.PDB 13.80894 -6.15000 -1.77000 -1.75000 -6.48000 -3.21000 8.05000 -8.02000 5.12000 4.59000 1.00000 0.00000 0.00000 0.00000 0.61000 0.73000 0.00000 -1.60000 0.00000 -2.69000 0.00000 2.38000 67.00000 SHO1_1QKX-21_14.PDB 13.33320 -7.15000 -1.81000 -2.73000 -7.27000 -2.51000 8.18000 -9.31000 4.73000 5.63000 0.98000 0.00000 0.00000 0.00000 0.13000 0.67000 0.00000 -0.97000 0.00000 -2.20000 0.00000 2.38000 67.00000 SHO1_1QKX-21_15.PDB 9.43915 -7.18000 -2.59000 -3.44000 -8.03000 -2.66000 10.58000 -9.58000 3.51000 7.11000 0.85000 0.00000 0.00000 0.00000 0.25000 1.08000 0.00000 -0.85000 0.00000 -2.33000 0.00000 2.38000 67.00000 SHO1_1QKX-21_16.PDB 12.89698 -4.72000 -1.87000 -1.99000 -7.42000 -1.81000 8.53000 -9.73000 5.55000 5.11000 1.12000 0.00000 0.00000 0.00000 0.16000 0.79000 0.00000 -0.59000 0.00000 -1.77000 0.00000 2.38000 67.00000 SHO1_1QKX-21_17.PDB 10.16814 -3.92000 -2.03000 -2.09000 -7.85000 -2.98000 9.49000 -9.46000 7.03000 5.85000 1.09000 0.00000 0.00000 0.00000 0.63000 0.97000 0.00000 -1.03000 0.00000 -2.58000 0.00000 2.38000 67.00000 SHO1_1QKX-21_18.PDB 10.62726 -6.88000 -1.96000 -2.82000 -7.23000 -3.29000 9.82000 -7.98000 2.69000 6.27000 1.02000 0.00000 0.00000 0.00000 0.20000 0.60000 0.00000 -1.00000 0.00000 -2.60000 0.00000 2.38000 67.00000 SHO1_1QKX-21_19.PDB 13.46130 -3.76000 -1.72000 -2.61000 -7.23000 -2.09000 8.26000 -9.22000 6.25000 5.81000 0.90000 0.00000 0.00000 0.00000 0.62000 0.90000 0.00000 -0.62000 0.00000 -2.11000 0.00000 2.38000 67.00000 SHO1_1QKX-21_20.PDB 15.73358 -11.33000 -1.71000 -2.65000 -6.81000 -5.38000 8.46000 -8.26000 3.37000 5.03000 1.03000 0.00000 0.00000 0.00000 0.18000 0.68000 0.00000 -1.25000 0.00000 -3.33000 0.00000 2.38000 67.00000 SHO1_1QKX-21_21.PDB 14.05640 -10.33000 -1.81000 -1.95000 -7.32000 -6.04000 8.94000 -8.78000 5.25000 5.50000 1.07000 0.00000 0.00000 0.00000 0.20000 0.62000 0.00000 -1.58000 0.00000 -3.83000 0.00000 2.38000 67.00000 SHO1_1QKX-21_22.PDB 12.71602 -3.37000 -1.92000 -2.83000 -7.25000 -2.11000 8.31000 -9.24000 6.77000 5.86000 0.92000 0.00000 0.00000 0.00000 0.55000 0.83000 0.00000 -0.35000 0.00000 -2.09000 0.00000 2.38000 67.00000 SHO1_1QKX-21_23.PDB 13.64379 -4.28000 -1.89000 -1.84000 -7.32000 -3.10000 8.91000 -8.98000 7.13000 5.25000 1.05000 0.00000 0.00000 0.00000 0.59000 0.79000 0.00000 -1.42000 0.00000 -2.66000 0.00000 2.38000 67.00000 SHO1_1QKX-21_24.PDB 12.79576 -6.90000 -1.76000 -2.78000 -6.82000 -1.93000 7.26000 -9.17000 4.27000 5.38000 0.98000 0.00000 0.00000 0.00000 0.14000 0.61000 0.00000 -0.70000 0.00000 -1.77000 0.00000 2.38000 67.00000 SHO1_1QKX-21_25.PDB 9.31124 -6.78000 -2.66000 -3.47000 -7.84000 -2.67000 10.53000 -9.35000 3.55000 7.00000 1.21000 0.00000 0.00000 0.00000 0.24000 1.06000 0.00000 -1.00000 0.00000 -2.32000 0.00000 2.38000 67.00000 SHO1_1QKX-21_26.PDB 13.52903 -6.97000 -2.00000 -2.08000 -7.42000 -2.73000 8.34000 -9.57000 5.60000 5.01000 1.17000 0.00000 0.00000 0.00000 0.12000 0.70000 0.00000 -1.11000 0.00000 -2.31000 0.00000 2.38000 67.00000 SHO1_1QKX-21_27.PDB 9.60345 -7.48000 -1.90000 -1.84000 -6.75000 -3.21000 9.17000 -7.62000 2.53000 5.31000 1.07000 0.00000 0.00000 0.00000 0.18000 0.56000 0.00000 -1.69000 0.00000 -2.71000 0.00000 2.38000 67.00000 SHO1_1QKX-21_28.PDB 12.44059 -4.84000 -1.71000 -2.72000 -7.19000 -2.08000 8.34000 -9.16000 4.99000 5.94000 0.88000 0.00000 0.00000 0.00000 0.58000 0.73000 0.00000 -0.67000 0.00000 -2.05000 0.00000 2.38000 67.00000 SHO1_1QKX-21_29.PDB 16.15761 -9.91000 -2.05000 -2.12000 -7.82000 -7.32000 10.09000 -8.92000 7.32000 5.51000 1.11000 0.00000 0.00000 0.00000 0.22000 0.82000 0.00000 -1.58000 0.00000 -4.34000 0.00000 2.38000 67.00000 SHO1_1QKX-21_30.PDB 11.25842 -3.34000 -1.98000 -2.95000 -7.30000 -2.21000 8.64000 -9.16000 6.97000 6.13000 0.95000 0.00000 0.00000 0.00000 0.60000 0.95000 0.00000 -0.73000 0.00000 -2.30000 0.00000 2.38000 67.00000