name total energy Backbone Hbon 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-28_1.PDB 24.29000 -38.34000 -12.34000 -72.21000 -1.22000 88.35000 -92.44000 20.28000 35.72000 98.84000 0.00000 0.00000 0.00000 2.81000 19.09000 0.00000 -3.48000 0.00000 -1.68000 0.00000 0.00000 67.00000 SHO1_1QKX-28_2.PDB 26.23000 -38.82000 -13.66000 -72.47000 -2.00000 90.17000 -92.11000 20.70000 37.11000 100.18000 0.00000 0.00000 0.00000 2.74000 19.12000 0.00000 -3.38000 0.00000 -2.22000 0.00000 0.00000 67.00000 SHO1_1QKX-28_3.PDB 22.89000 -39.25000 -13.42000 -73.87000 -1.62000 90.95000 -93.82000 21.44000 37.51000 99.00000 0.00000 0.00000 0.00000 1.81000 19.59000 0.00000 -3.64000 0.00000 -2.21000 0.00000 0.00000 67.00000 SHO1_1QKX-28_4.PDB 24.83000 -38.31000 -13.87000 -71.88000 -1.30000 88.70000 -91.70000 19.82000 36.41000 98.97000 0.00000 0.00000 0.00000 2.91000 19.17000 0.00000 -3.39000 0.00000 -1.55000 0.00000 0.00000 67.00000 SHO1_1QKX-28_5.PDB 26.67000 -39.49000 -13.33000 -73.48000 -2.06000 91.78000 -93.23000 21.28000 38.06000 100.57000 0.00000 0.00000 0.00000 2.78000 19.40000 0.00000 -3.51000 0.00000 -2.70000 0.00000 0.00000 67.00000 SHO1_1QKX-28_6.PDB 27.57000 -39.47000 -15.15000 -73.03000 -0.97000 90.70000 -93.10000 22.91000 37.72000 100.88000 0.00000 0.00000 0.00000 1.99000 19.61000 0.00000 -3.45000 0.00000 -1.45000 0.00000 0.00000 67.00000 SHO1_1QKX-28_7.PDB 26.19000 -39.61000 -15.76000 -73.48000 -2.40000 92.50000 -93.07000 21.23000 39.20000 101.21000 0.00000 0.00000 0.00000 2.23000 19.48000 0.00000 -3.45000 0.00000 -2.42000 0.00000 0.00000 67.00000 SHO1_1QKX-28_8.PDB 24.90000 -39.51000 -14.97000 -73.55000 -1.87000 91.57000 -93.29000 21.95000 38.81000 99.12000 0.00000 0.00000 0.00000 2.23000 19.49000 0.00000 -3.41000 0.00000 -2.18000 0.00000 0.00000 67.00000 SHO1_1QKX-28_9.PDB 26.03000 -39.86000 -14.39000 -73.78000 -1.83000 92.42000 -93.55000 20.85000 38.35000 100.52000 0.00000 0.00000 0.00000 2.87000 19.50000 0.00000 -2.94000 0.00000 -2.63000 0.00000 0.00000 67.00000 SHO1_1QKX-28_10.PDB 22.51000 -38.28000 -13.79000 -73.21000 -2.30000 91.37000 -93.45000 20.68000 36.67000 98.69000 0.00000 0.00000 0.00000 1.83000 19.39000 0.00000 -3.34000 0.00000 -2.36000 0.00000 0.00000 67.00000 SHO1_1QKX-28_11.PDB 25.61000 -39.16000 -14.59000 -73.41000 -1.76000 91.35000 -93.15000 20.68000 38.47000 100.83000 0.00000 0.00000 0.00000 2.20000 19.70000 0.00000 -3.72000 0.00000 -2.13000 0.00000 0.00000 67.00000 SHO1_1QKX-28_12.PDB 26.35000 -39.04000 -15.27000 -73.29000 -2.04000 92.10000 -92.54000 21.19000 38.43000 100.75000 0.00000 0.00000 0.00000 2.27000 19.50000 0.00000 -3.86000 0.00000 -2.36000 0.00000 0.00000 67.00000 SHO1_1QKX-28_13.PDB 27.06000 -38.31000 -12.32000 -73.00000 -1.81000 90.11000 -93.27000 21.61000 36.73000 99.81000 0.00000 0.00000 0.00000 2.72000 19.16000 0.00000 -3.09000 0.00000 -2.13000 0.00000 0.00000 67.00000 SHO1_1QKX-28_14.PDB 24.73000 -39.06000 -13.00000 -72.45000 -1.13000 89.23000 -92.38000 20.53000 36.68000 99.60000 0.00000 0.00000 0.00000 1.99000 19.33000 0.00000 -3.55000 0.00000 -1.74000 0.00000 0.00000 67.00000 SHO1_1QKX-28_15.PDB 21.70000 -39.05000 -13.82000 -72.89000 -2.18000 90.09000 -92.78000 20.18000 37.16000 97.71000 0.00000 0.00000 0.00000 2.77000 19.32000 0.00000 -3.25000 0.00000 -2.23000 0.00000 0.00000 67.00000 SHO1_1QKX-28_16.PDB 22.87000 -39.68000 -13.75000 -73.77000 -1.81000 90.92000 -93.99000 21.30000 38.25000 98.84000 0.00000 0.00000 0.00000 2.10000 19.42000 0.00000 -3.13000 0.00000 -2.40000 0.00000 0.00000 67.00000 SHO1_1QKX-28_17.PDB 25.78000 -39.20000 -14.64000 -72.82000 -0.95000 90.17000 -92.66000 19.40000 37.71000 100.76000 0.00000 0.00000 0.00000 3.00000 19.68000 0.00000 -3.48000 0.00000 -1.53000 0.00000 0.00000 67.00000 SHO1_1QKX-28_18.PDB 23.24000 -39.05000 -15.10000 -73.15000 -2.36000 91.70000 -92.88000 20.38000 37.65000 99.72000 0.00000 0.00000 0.00000 2.27000 19.29000 0.00000 -3.54000 0.00000 -2.40000 0.00000 0.00000 67.00000 SHO1_1QKX-28_19.PDB 25.36000 -39.19000 -14.68000 -73.52000 -1.98000 90.94000 -94.00000 21.47000 38.60000 100.72000 0.00000 0.00000 0.00000 2.65000 19.50000 0.00000 -3.58000 0.00000 -2.06000 0.00000 0.00000 67.00000 SHO1_1QKX-28_20.PDB 25.86000 -39.19000 -14.90000 -73.27000 -1.91000 91.32000 -92.98000 19.61000 38.84000 100.87000 0.00000 0.00000 0.00000 2.78000 19.32000 0.00000 -3.04000 0.00000 -2.27000 0.00000 0.00000 67.00000 SHO1_1QKX-28_21.PDB 25.44000 -38.72000 -12.74000 -71.94000 -1.28000 88.73000 -91.96000 21.22000 36.32000 99.39000 0.00000 0.00000 0.00000 1.82000 19.27000 0.00000 -3.69000 0.00000 -1.70000 0.00000 0.00000 67.00000 SHO1_1QKX-28_22.PDB 23.88000 -39.99000 -16.14000 -73.34000 -2.50000 91.53000 -93.04000 21.55000 39.23000 99.55000 0.00000 0.00000 0.00000 2.76000 19.31000 0.00000 -3.06000 0.00000 -2.66000 0.00000 0.00000 67.00000 SHO1_1QKX-28_23.PDB 24.03000 -39.29000 -15.16000 -73.43000 -1.83000 91.52000 -93.21000 20.08000 38.34000 100.75000 0.00000 0.00000 0.00000 2.21000 19.73000 0.00000 -3.59000 0.00000 -2.38000 0.00000 0.00000 67.00000 SHO1_1QKX-28_24.PDB 27.86000 -38.31000 -13.72000 -71.86000 -1.26000 88.70000 -91.93000 21.91000 36.76000 100.60000 0.00000 0.00000 0.00000 2.30000 19.28000 0.00000 -3.75000 0.00000 -1.57000 0.00000 0.00000 67.00000 SHO1_1QKX-28_25.PDB 25.16000 -39.52000 -15.15000 -72.79000 -1.13000 90.29000 -92.69000 20.16000 38.54000 99.55000 0.00000 0.00000 0.00000 2.89000 19.35000 0.00000 -3.43000 0.00000 -1.57000 0.00000 0.00000 67.00000 SHO1_1QKX-28_26.PDB 24.07000 -38.31000 -13.84000 -72.05000 -1.32000 88.89000 -91.83000 20.24000 36.52000 98.18000 0.00000 0.00000 0.00000 3.12000 19.26000 0.00000 -3.91000 0.00000 -1.62000 0.00000 0.00000 67.00000 SHO1_1QKX-28_27.PDB 22.97000 -39.23000 -14.76000 -73.78000 -2.06000 91.56000 -93.72000 20.24000 38.70000 98.99000 0.00000 0.00000 0.00000 2.92000 19.24000 0.00000 -3.59000 0.00000 -2.30000 0.00000 0.00000 67.00000 SHO1_1QKX-28_28.PDB 25.04000 -38.79000 -12.72000 -73.80000 -2.07000 91.23000 -94.14000 21.76000 37.51000 99.11000 0.00000 0.00000 0.00000 2.29000 19.55000 0.00000 -3.25000 0.00000 -2.08000 0.00000 0.00000 67.00000 SHO1_1QKX-28_29.PDB 26.45000 -39.04000 -13.75000 -73.71000 -1.88000 91.62000 -93.58000 21.07000 38.42000 100.49000 0.00000 0.00000 0.00000 2.29000 19.29000 0.00000 -3.17000 0.00000 -2.31000 0.00000 0.00000 67.00000 SHO1_1QKX-28_30.PDB 25.70000 -38.79000 -15.24000 -73.05000 -2.28000 91.40000 -92.49000 21.69000 37.85000 100.64000 0.00000 0.00000 0.00000 2.34000 19.41000 0.00000 -3.74000 0.00000 -2.63000 0.00000 0.00000 67.00000