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-14_1.PDB 30.90000 -39.35000 -14.67000 -73.32000 -1.32000 90.34000 -93.99000 24.34000 38.48000 101.76000 0.00000 0.00000 0.00000 4.00000 20.35000 0.00000 -4.20000 0.00000 -1.19000 0.00000 0.00000 66.00000 SHO1_1QKX-14_2.PDB 30.13000 -39.32000 -14.71000 -72.82000 -1.23000 90.04000 -93.25000 24.30000 38.05000 101.43000 0.00000 0.00000 0.00000 3.02000 19.90000 0.00000 -4.31000 0.00000 -1.08000 0.00000 0.00000 66.00000 SHO1_1QKX-14_3.PDB 30.27000 -39.36000 -14.50000 -73.41000 -1.35000 90.68000 -94.08000 23.83000 38.43000 101.37000 0.00000 0.00000 0.00000 3.67000 19.93000 0.00000 -3.80000 0.00000 -1.21000 0.00000 0.00000 66.00000 SHO1_1QKX-14_4.PDB 31.28000 -37.85000 -12.95000 -73.53000 -1.81000 89.54000 -94.89000 26.59000 38.10000 99.10000 0.00000 0.00000 0.00000 3.13000 20.05000 0.00000 -2.75000 0.00000 -1.38000 0.00000 0.00000 66.00000 SHO1_1QKX-14_5.PDB 31.16000 -39.28000 -14.20000 -71.02000 -1.34000 88.45000 -91.00000 22.56000 37.05000 101.24000 0.00000 0.00000 0.00000 3.95000 20.00000 0.00000 -4.05000 0.00000 -1.20000 0.00000 0.00000 66.00000 SHO1_1QKX-14_6.PDB 31.26000 -38.70000 -14.23000 -73.13000 -1.20000 90.26000 -93.83000 21.77000 38.33000 101.47000 0.00000 0.00000 0.00000 5.72000 20.33000 0.00000 -4.02000 0.00000 -1.17000 0.00000 0.00000 66.00000 SHO1_1QKX-14_7.PDB 31.44000 -38.73000 -14.18000 -73.31000 -1.95000 90.39000 -94.25000 26.67000 38.78000 99.87000 0.00000 0.00000 0.00000 2.56000 19.93000 0.00000 -3.11000 0.00000 -1.30000 0.00000 0.00000 66.00000 SHO1_1QKX-14_8.PDB 32.23000 -37.87000 -12.12000 -70.51000 -1.36000 87.09000 -90.48000 24.80000 35.56000 98.81000 0.00000 0.00000 0.00000 2.03000 19.54000 0.00000 -2.63000 0.00000 -1.09000 0.00000 0.00000 66.00000 SHO1_1QKX-14_9.PDB 29.88000 -39.26000 -14.30000 -73.40000 -1.31000 90.21000 -94.10000 25.78000 38.17000 101.17000 0.00000 0.00000 0.00000 2.20000 20.24000 0.00000 -4.27000 0.00000 -1.01000 0.00000 0.00000 66.00000 SHO1_1QKX-14_10.PDB 31.30000 -38.56000 -13.42000 -73.44000 -1.63000 89.73000 -94.54000 25.11000 37.83000 100.41000 0.00000 0.00000 0.00000 4.15000 20.16000 0.00000 -3.08000 0.00000 -1.25000 0.00000 0.00000 66.00000 SHO1_1QKX-14_11.PDB 31.70000 -38.52000 -13.98000 -73.39000 -2.02000 90.41000 -94.16000 25.94000 38.68000 100.22000 0.00000 0.00000 0.00000 3.21000 20.08000 0.00000 -2.95000 0.00000 -1.74000 0.00000 0.00000 66.00000 SHO1_1QKX-14_12.PDB 32.93000 -39.97000 -14.16000 -70.57000 -1.72000 88.04000 -90.27000 25.80000 37.48000 100.02000 0.00000 0.00000 0.00000 1.98000 19.66000 0.00000 -2.50000 0.00000 -1.21000 0.00000 0.00000 66.00000 SHO1_1QKX-14_13.PDB 31.30000 -39.90000 -14.54000 -73.54000 -1.19000 90.30000 -94.46000 27.31000 39.30000 101.41000 0.00000 0.00000 0.00000 2.09000 20.18000 0.00000 -4.41000 0.00000 -1.07000 0.00000 0.00000 66.00000 SHO1_1QKX-14_14.PDB 33.83000 -39.35000 -14.15000 -72.15000 -1.37000 89.79000 -92.76000 26.33000 38.49000 100.34000 0.00000 0.00000 0.00000 3.73000 19.86000 0.00000 -3.66000 0.00000 -1.41000 0.00000 0.00000 66.00000 SHO1_1QKX-14_15.PDB 32.29000 -38.85000 -14.05000 -74.50000 -1.60000 91.32000 -95.25000 24.41000 39.72000 100.87000 0.00000 0.00000 0.00000 4.79000 20.13000 0.00000 -3.30000 0.00000 -1.25000 0.00000 0.00000 66.00000 SHO1_1QKX-14_16.PDB 31.19000 -37.95000 -13.18000 -71.30000 -1.71000 87.74000 -91.87000 24.14000 36.82000 99.48000 0.00000 0.00000 0.00000 3.29000 19.64000 0.00000 -2.92000 0.00000 -1.34000 0.00000 0.00000 66.00000 SHO1_1QKX-14_17.PDB 32.08000 -38.50000 -13.82000 -72.67000 -2.23000 90.20000 -93.02000 25.68000 38.11000 100.11000 0.00000 0.00000 0.00000 3.21000 20.07000 0.00000 -3.01000 0.00000 -1.98000 0.00000 0.00000 66.00000 SHO1_1QKX-14_18.PDB 31.79000 -37.93000 -13.47000 -72.99000 -1.82000 89.72000 -93.72000 22.17000 37.97000 100.04000 0.00000 0.00000 0.00000 6.24000 19.84000 0.00000 -3.05000 0.00000 -1.37000 0.00000 0.00000 66.00000 SHO1_1QKX-14_19.PDB 31.91000 -39.39000 -14.13000 -73.87000 -1.52000 90.60000 -94.63000 27.34000 38.95000 100.58000 0.00000 0.00000 0.00000 2.18000 20.14000 0.00000 -3.04000 0.00000 -1.16000 0.00000 0.00000 66.00000 SHO1_1QKX-14_20.PDB 30.89000 -38.54000 -13.56000 -71.61000 -1.75000 87.94000 -91.93000 24.76000 36.98000 99.95000 0.00000 0.00000 0.00000 2.95000 19.55000 0.00000 -2.95000 0.00000 -1.34000 0.00000 0.00000 66.00000 SHO1_1QKX-14_21.PDB 32.78000 -39.35000 -14.87000 -70.36000 -1.86000 88.75000 -90.02000 25.32000 37.12000 99.57000 0.00000 0.00000 0.00000 2.76000 19.63000 0.00000 -2.95000 0.00000 -1.33000 0.00000 0.00000 66.00000 SHO1_1QKX-14_22.PDB 31.02000 -40.19000 -15.59000 -73.32000 -1.25000 91.01000 -93.91000 23.78000 39.36000 101.59000 0.00000 0.00000 0.00000 4.78000 20.11000 0.00000 -4.03000 0.00000 -1.18000 0.00000 0.00000 66.00000 SHO1_1QKX-14_23.PDB 31.64000 -38.73000 -14.13000 -72.94000 -1.77000 90.19000 -93.78000 25.41000 38.71000 99.98000 0.00000 0.00000 0.00000 3.09000 19.89000 0.00000 -3.13000 0.00000 -1.26000 0.00000 0.00000 66.00000 SHO1_1QKX-14_24.PDB 32.28000 -40.68000 -15.59000 -70.53000 -1.50000 89.18000 -90.08000 22.78000 37.99000 101.22000 0.00000 0.00000 0.00000 4.30000 19.85000 0.00000 -3.65000 0.00000 -1.16000 0.00000 0.00000 66.00000 SHO1_1QKX-14_25.PDB 32.99000 -38.78000 -13.92000 -69.88000 -1.93000 88.39000 -89.22000 22.82000 36.98000 99.69000 0.00000 0.00000 0.00000 3.24000 19.56000 0.00000 -3.06000 0.00000 -1.35000 0.00000 0.00000 66.00000 SHO1_1QKX-14_26.PDB 32.10000 -38.76000 -14.30000 -73.23000 -1.77000 90.66000 -94.12000 25.13000 38.86000 100.58000 0.00000 0.00000 0.00000 3.39000 19.96000 0.00000 -3.05000 0.00000 -1.29000 0.00000 0.00000 66.00000 SHO1_1QKX-14_27.PDB 31.46000 -39.12000 -14.17000 -70.86000 -2.98000 88.95000 -90.37000 24.34000 37.24000 99.98000 0.00000 0.00000 0.00000 3.45000 19.78000 0.00000 -2.89000 0.00000 -2.11000 0.00000 0.00000 66.00000 SHO1_1QKX-14_28.PDB 32.40000 -38.76000 -13.77000 -74.33000 -1.59000 90.65000 -95.73000 27.27000 39.41000 100.26000 0.00000 0.00000 0.00000 3.53000 19.86000 0.00000 -3.19000 0.00000 -1.35000 0.00000 0.00000 66.00000 SHO1_1QKX-14_29.PDB 32.87000 -40.13000 -15.69000 -70.09000 -1.15000 88.90000 -89.54000 22.60000 37.41000 100.60000 0.00000 0.00000 0.00000 4.68000 19.67000 0.00000 -3.61000 0.00000 -1.11000 0.00000 0.00000 66.00000 SHO1_1QKX-14_30.PDB 31.35000 -38.50000 -13.56000 -72.43000 -2.18000 89.27000 -92.94000 25.79000 37.82000 99.98000 0.00000 0.00000 0.00000 3.03000 19.69000 0.00000 -3.00000 0.00000 -1.93000 0.00000 0.00000 66.00000