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-19_1.PDB 10.60196 -6.59000 -0.50000 -3.30000 -9.02000 -1.90000 10.61000 -11.23000 2.77000 5.34000 3.33000 0.00000 0.00000 0.00000 0.43000 0.96000 0.00000 -0.86000 0.00000 -2.26000 0.00000 2.38000 66.00000 SHO1_1QKX-19_2.PDB 11.34920 -8.21000 -0.80000 -6.31000 -8.50000 -2.91000 11.11000 -10.12000 2.62000 7.04000 3.65000 0.00000 0.00000 0.00000 0.33000 0.71000 0.00000 -1.31000 0.00000 -3.00000 0.00000 2.38000 66.00000 SHO1_1QKX-19_3.PDB 10.56480 -7.94000 -0.12000 -3.93000 -8.93000 -2.89000 10.95000 -11.05000 2.74000 5.62000 3.33000 0.00000 0.00000 0.00000 0.12000 0.69000 0.00000 -0.97000 0.00000 -2.80000 0.00000 2.38000 66.00000 SHO1_1QKX-19_4.PDB 10.23665 -6.10000 -0.90000 -2.51000 -8.34000 -2.76000 10.01000 -10.09000 2.65000 6.29000 3.96000 0.00000 0.00000 0.00000 0.07000 0.68000 0.00000 -1.38000 0.00000 -3.12000 0.00000 2.38000 66.00000 SHO1_1QKX-19_5.PDB 10.80641 -6.13000 -0.84000 -3.66000 -8.37000 -1.75000 9.74000 -10.79000 2.58000 5.94000 3.47000 0.00000 0.00000 0.00000 0.30000 0.83000 0.00000 -0.71000 0.00000 -2.03000 0.00000 2.38000 66.00000 SHO1_1QKX-19_6.PDB 10.22881 -7.68000 -0.12000 -3.84000 -9.09000 -2.74000 11.13000 -11.20000 2.64000 5.76000 3.48000 0.00000 0.00000 0.00000 0.10000 0.77000 0.00000 -1.13000 0.00000 -2.69000 0.00000 2.38000 66.00000 SHO1_1QKX-19_7.PDB 9.43299 -5.54000 -0.12000 -2.77000 -8.35000 -1.84000 9.68000 -11.09000 3.46000 5.16000 3.18000 0.00000 0.00000 0.00000 0.08000 0.74000 0.00000 -0.80000 0.00000 -2.13000 0.00000 2.38000 66.00000 SHO1_1QKX-19_8.PDB 12.09039 -8.30000 -0.98000 -3.49000 -8.88000 -3.95000 12.03000 -10.35000 2.93000 6.22000 3.51000 0.00000 0.00000 0.00000 0.17000 0.72000 0.00000 -1.93000 0.00000 -3.57000 0.00000 2.38000 66.00000 SHO1_1QKX-19_9.PDB 10.46793 -7.05000 -1.33000 -4.98000 -9.12000 -2.96000 12.42000 -10.73000 2.82000 7.15000 3.90000 0.00000 0.00000 0.00000 0.13000 0.67000 0.00000 -1.27000 0.00000 -3.10000 0.00000 2.38000 66.00000 SHO1_1QKX-19_10.PDB 10.75578 -5.89000 -0.10000 -4.65000 -8.14000 -2.20000 10.95000 -10.36000 2.60000 6.49000 3.15000 0.00000 0.00000 0.00000 0.24000 0.63000 0.00000 -1.27000 0.00000 -2.60000 0.00000 2.38000 66.00000 SHO1_1QKX-19_11.PDB 11.08933 -6.02000 -0.83000 -3.59000 -8.92000 -1.93000 10.51000 -11.06000 2.86000 6.26000 3.47000 0.00000 0.00000 0.00000 0.33000 0.93000 0.00000 -0.83000 0.00000 -2.29000 0.00000 2.38000 66.00000 SHO1_1QKX-19_12.PDB 9.33652 -5.57000 -0.12000 -3.12000 -8.26000 -1.77000 9.60000 -10.81000 2.80000 5.13000 3.47000 0.00000 0.00000 0.00000 0.09000 0.74000 0.00000 -0.54000 0.00000 -2.03000 0.00000 2.38000 66.00000 SHO1_1QKX-19_13.PDB 9.36706 -5.94000 -0.58000 -3.40000 -9.40000 -2.34000 11.66000 -11.65000 2.77000 6.68000 3.97000 0.00000 0.00000 0.00000 0.06000 0.75000 0.00000 -1.18000 0.00000 -2.53000 0.00000 2.38000 66.00000 SHO1_1QKX-19_14.PDB 11.41691 -7.71000 -2.08000 -5.60000 -10.05000 -2.74000 13.66000 -12.14000 3.03000 7.03000 3.97000 0.00000 0.00000 0.00000 0.38000 0.84000 0.00000 -0.58000 0.00000 -2.58000 0.00000 2.38000 66.00000 SHO1_1QKX-19_15.PDB 9.39460 -5.35000 -0.10000 -3.03000 -8.26000 -2.33000 9.82000 -10.52000 2.94000 5.05000 4.34000 0.00000 0.00000 0.00000 0.12000 0.66000 0.00000 -0.93000 0.00000 -2.48000 0.00000 2.38000 66.00000 SHO1_1QKX-19_16.PDB 10.92524 -6.48000 -0.82000 -5.35000 -8.29000 -2.59000 10.78000 -10.10000 2.45000 7.27000 4.01000 0.00000 0.00000 0.00000 0.31000 0.65000 0.00000 -1.30000 0.00000 -2.84000 0.00000 2.38000 66.00000 SHO1_1QKX-19_17.PDB 9.83707 -7.82000 -0.99000 -6.15000 -9.09000 -2.92000 12.10000 -10.71000 2.56000 7.47000 3.81000 0.00000 0.00000 0.00000 0.15000 0.69000 0.00000 -1.09000 0.00000 -2.97000 0.00000 2.38000 66.00000 SHO1_1QKX-19_18.PDB 10.06903 -7.21000 -0.86000 -3.57000 -9.43000 -1.99000 10.52000 -12.23000 2.51000 6.76000 3.75000 0.00000 0.00000 0.00000 0.35000 1.05000 0.00000 -0.72000 0.00000 -2.29000 0.00000 2.38000 66.00000 SHO1_1QKX-19_19.PDB 9.90398 -7.96000 -1.50000 -6.98000 -8.95000 -3.05000 12.08000 -10.47000 2.96000 7.99000 4.11000 0.00000 0.00000 0.00000 0.10000 0.71000 0.00000 -1.09000 0.00000 -3.15000 0.00000 2.38000 66.00000 SHO1_1QKX-19_20.PDB 11.07583 -6.98000 -0.12000 -3.60000 -9.13000 -2.88000 11.07000 -11.11000 2.88000 5.68000 3.56000 0.00000 0.00000 0.00000 0.17000 0.80000 0.00000 -0.65000 0.00000 -2.85000 0.00000 2.38000 66.00000 SHO1_1QKX-19_21.PDB 10.26924 -4.94000 -0.10000 -2.51000 -8.17000 -2.42000 10.08000 -10.25000 2.49000 6.01000 3.91000 0.00000 0.00000 0.00000 0.22000 0.58000 0.00000 -1.49000 0.00000 -2.72000 0.00000 2.38000 66.00000 SHO1_1QKX-19_22.PDB 9.79614 -6.95000 -1.00000 -1.09000 -9.88000 -4.18000 11.95000 -11.80000 3.00000 6.53000 4.19000 0.00000 0.00000 0.00000 0.16000 0.84000 0.00000 -0.94000 0.00000 -3.88000 0.00000 2.38000 66.00000 SHO1_1QKX-19_23.PDB 11.01039 -4.09000 -0.46000 -1.00000 -8.79000 -1.60000 10.66000 -11.54000 2.76000 4.34000 3.53000 0.00000 0.00000 0.00000 0.51000 0.94000 0.00000 -0.68000 0.00000 -1.83000 0.00000 2.38000 66.00000 SHO1_1QKX-19_24.PDB 11.12237 -9.05000 -1.37000 -5.19000 -9.85000 -2.65000 12.61000 -11.81000 2.69000 6.75000 3.56000 0.00000 0.00000 0.00000 0.27000 0.95000 0.00000 -1.46000 0.00000 -2.60000 0.00000 2.38000 66.00000 SHO1_1QKX-19_25.PDB 11.41233 -8.17000 -0.88000 -3.78000 -9.39000 -2.09000 10.35000 -12.30000 2.48000 6.83000 3.51000 0.00000 0.00000 0.00000 0.32000 0.87000 0.00000 -0.81000 0.00000 -2.42000 0.00000 2.38000 66.00000 SHO1_1QKX-19_26.PDB 11.97382 -6.98000 -0.10000 -5.81000 -9.33000 -2.74000 11.75000 -11.70000 3.21000 7.05000 3.62000 0.00000 0.00000 0.00000 0.39000 0.84000 0.00000 -0.70000 0.00000 -2.63000 0.00000 2.38000 66.00000 SHO1_1QKX-19_27.PDB 9.75375 -7.65000 -0.98000 -6.34000 -8.90000 -2.88000 12.03000 -10.60000 2.72000 7.35000 4.30000 0.00000 0.00000 0.00000 0.13000 0.78000 0.00000 -1.67000 0.00000 -2.80000 0.00000 2.38000 66.00000 SHO1_1QKX-19_28.PDB 11.52740 -5.33000 -1.19000 -2.98000 -9.24000 -1.93000 11.17000 -11.37000 2.61000 5.93000 3.95000 0.00000 0.00000 0.00000 0.44000 1.01000 0.00000 -0.53000 0.00000 -2.19000 0.00000 2.38000 66.00000 SHO1_1QKX-19_29.PDB 9.73121 -5.44000 -0.10000 -4.83000 -7.96000 -2.20000 10.49000 -10.14000 3.15000 6.19000 3.73000 0.00000 0.00000 0.00000 0.10000 0.59000 0.00000 -1.47000 0.00000 -2.41000 0.00000 2.38000 66.00000 SHO1_1QKX-19_30.PDB 10.69701 -5.66000 -1.23000 -4.48000 -9.10000 -2.49000 12.27000 -11.13000 2.57000 7.54000 3.36000 0.00000 0.00000 0.00000 0.26000 0.71000 0.00000 -0.49000 0.00000 -2.74000 0.00000 2.38000 66.00000