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-17_1.PDB 35.47000 -40.18000 -17.74000 -70.63000 -2.32000 92.61000 -88.24000 23.61000 40.06000 101.44000 0.00000 0.00000 0.00000 2.48000 16.93000 0.00000 -3.51000 0.00000 -2.10000 0.00000 0.00000 66.00000 SHO1_1QKX-17_2.PDB 34.87000 -41.65000 -17.36000 -68.93000 -1.98000 89.61000 -86.38000 23.74000 38.79000 101.01000 0.00000 0.00000 0.00000 2.37000 16.78000 0.00000 -2.60000 0.00000 -1.76000 0.00000 0.00000 66.00000 SHO1_1QKX-17_3.PDB 35.38000 -41.00000 -16.81000 -71.13000 -2.63000 93.82000 -88.41000 23.96000 39.30000 101.34000 0.00000 0.00000 0.00000 2.29000 17.12000 0.00000 -3.16000 0.00000 -2.20000 0.00000 0.00000 66.00000 SHO1_1QKX-17_4.PDB 35.91000 -40.18000 -16.96000 -69.95000 -1.98000 90.83000 -87.65000 23.79000 38.97000 101.38000 0.00000 0.00000 0.00000 2.35000 16.73000 0.00000 -2.82000 0.00000 -1.86000 0.00000 0.00000 66.00000 SHO1_1QKX-17_5.PDB 34.78000 -40.12000 -17.10000 -70.26000 -3.29000 93.28000 -87.48000 22.16000 39.95000 101.04000 0.00000 0.00000 0.00000 2.41000 16.79000 0.00000 -3.23000 0.00000 -2.59000 0.00000 0.00000 66.00000 SHO1_1QKX-17_6.PDB 35.53000 -40.16000 -15.78000 -68.55000 -1.91000 89.31000 -86.01000 22.28000 37.42000 100.88000 0.00000 0.00000 0.00000 2.67000 16.78000 0.00000 -2.81000 0.00000 -1.81000 0.00000 0.00000 66.00000 SHO1_1QKX-17_7.PDB 35.98000 -40.25000 -15.70000 -69.72000 -2.36000 89.78000 -87.50000 23.53000 38.63000 101.46000 0.00000 0.00000 0.00000 2.52000 16.82000 0.00000 -2.60000 0.00000 -1.81000 0.00000 0.00000 66.00000 SHO1_1QKX-17_8.PDB 37.28000 -41.05000 -16.54000 -70.71000 -2.86000 93.94000 -87.95000 25.14000 38.97000 101.31000 0.00000 0.00000 0.00000 2.66000 16.93000 0.00000 -3.23000 0.00000 -2.39000 0.00000 0.00000 66.00000 SHO1_1QKX-17_9.PDB 34.85000 -41.09000 -18.52000 -70.50000 -3.02000 93.10000 -87.95000 24.87000 40.08000 101.00000 0.00000 0.00000 0.00000 2.36000 16.79000 0.00000 -3.27000 0.00000 -2.22000 0.00000 0.00000 66.00000 SHO1_1QKX-17_10.PDB 33.50000 -41.09000 -18.34000 -70.53000 -3.05000 92.30000 -88.25000 24.07000 40.22000 100.81000 0.00000 0.00000 0.00000 2.91000 16.84000 0.00000 -3.37000 0.00000 -2.19000 0.00000 0.00000 66.00000 SHO1_1QKX-17_11.PDB 35.57000 -40.20000 -16.87000 -70.60000 -2.94000 92.45000 -88.22000 24.17000 40.10000 100.81000 0.00000 0.00000 0.00000 2.92000 16.91000 0.00000 -3.77000 0.00000 -2.28000 0.00000 0.00000 66.00000 SHO1_1QKX-17_12.PDB 36.36000 -41.04000 -15.13000 -69.60000 -2.59000 91.57000 -87.08000 23.74000 38.33000 101.61000 0.00000 0.00000 0.00000 2.26000 16.66000 0.00000 -3.54000 0.00000 -2.17000 0.00000 0.00000 66.00000 SHO1_1QKX-17_13.PDB 36.52000 -41.09000 -15.18000 -69.50000 -2.81000 91.42000 -87.01000 24.52000 38.07000 100.96000 0.00000 0.00000 0.00000 2.51000 16.69000 0.00000 -3.06000 0.00000 -2.31000 0.00000 0.00000 66.00000 SHO1_1QKX-17_14.PDB 35.64000 -40.12000 -17.16000 -69.80000 -2.33000 90.23000 -87.55000 24.21000 39.04000 101.46000 0.00000 0.00000 0.00000 2.39000 16.70000 0.00000 -2.90000 0.00000 -1.82000 0.00000 0.00000 66.00000 SHO1_1QKX-17_15.PDB 34.60000 -41.04000 -16.72000 -70.28000 -2.95000 92.23000 -87.93000 24.10000 39.31000 100.87000 0.00000 0.00000 0.00000 2.47000 16.96000 0.00000 -3.25000 0.00000 -2.20000 0.00000 0.00000 66.00000 SHO1_1QKX-17_16.PDB 37.36000 -40.70000 -14.84000 -69.20000 -2.42000 89.74000 -86.62000 24.87000 37.69000 101.07000 0.00000 0.00000 0.00000 2.43000 16.74000 0.00000 -2.77000 0.00000 -1.90000 0.00000 0.00000 66.00000 SHO1_1QKX-17_17.PDB 36.11000 -40.96000 -16.62000 -69.27000 -1.83000 89.90000 -86.76000 24.07000 38.45000 101.05000 0.00000 0.00000 0.00000 2.29000 16.74000 0.00000 -2.52000 0.00000 -1.69000 0.00000 0.00000 66.00000 SHO1_1QKX-17_18.PDB 35.10000 -41.69000 -18.96000 -70.28000 -2.69000 92.90000 -87.64000 24.76000 40.75000 101.07000 0.00000 0.00000 0.00000 2.46000 16.79000 0.00000 -3.47000 0.00000 -2.11000 0.00000 0.00000 66.00000 SHO1_1QKX-17_19.PDB 34.91000 -40.21000 -14.28000 -69.83000 -2.43000 90.36000 -87.52000 22.79000 37.39000 100.80000 0.00000 0.00000 0.00000 2.17000 16.85000 0.00000 -2.51000 0.00000 -1.82000 0.00000 0.00000 66.00000 SHO1_1QKX-17_20.PDB 35.01000 -40.77000 -16.33000 -69.11000 -2.29000 89.93000 -86.66000 23.12000 38.35000 100.95000 0.00000 0.00000 0.00000 2.83000 16.76000 0.00000 -3.22000 0.00000 -1.80000 0.00000 0.00000 66.00000 SHO1_1QKX-17_21.PDB 33.54000 -41.61000 -19.07000 -70.04000 -2.89000 92.85000 -87.62000 22.92000 40.58000 101.67000 0.00000 0.00000 0.00000 2.51000 16.80000 0.00000 -3.56000 0.00000 -2.20000 0.00000 0.00000 66.00000 SHO1_1QKX-17_22.PDB 37.11000 -40.86000 -15.19000 -69.70000 -2.89000 91.86000 -87.14000 23.78000 38.36000 101.07000 0.00000 0.00000 0.00000 3.06000 16.69000 0.00000 -3.01000 0.00000 -2.22000 0.00000 0.00000 66.00000 SHO1_1QKX-17_23.PDB 36.48000 -41.05000 -15.23000 -70.13000 -3.18000 92.57000 -87.65000 25.53000 38.46000 100.68000 0.00000 0.00000 0.00000 2.64000 16.69000 0.00000 -3.83000 0.00000 -2.32000 0.00000 0.00000 66.00000 SHO1_1QKX-17_24.PDB 36.16000 -40.95000 -14.86000 -69.91000 -3.09000 91.81000 -87.49000 23.82000 38.45000 101.48000 0.00000 0.00000 0.00000 2.23000 16.79000 0.00000 -3.12000 0.00000 -2.21000 0.00000 0.00000 66.00000 SHO1_1QKX-17_25.PDB 33.27000 -41.28000 -17.11000 -69.91000 -2.64000 91.98000 -87.59000 23.03000 39.53000 100.86000 0.00000 0.00000 0.00000 2.81000 16.76000 0.00000 -4.16000 0.00000 -2.26000 0.00000 0.00000 66.00000 SHO1_1QKX-17_26.PDB 37.26000 -41.78000 -15.90000 -69.78000 -2.52000 91.68000 -87.13000 24.99000 38.78000 101.57000 0.00000 0.00000 0.00000 2.51000 16.80000 0.00000 -3.00000 0.00000 -2.15000 0.00000 0.00000 66.00000 SHO1_1QKX-17_27.PDB 36.00000 -41.07000 -15.12000 -70.00000 -3.10000 92.28000 -87.41000 24.47000 38.54000 100.66000 0.00000 0.00000 0.00000 2.29000 16.71000 0.00000 -3.24000 0.00000 -2.29000 0.00000 0.00000 66.00000 SHO1_1QKX-17_28.PDB 34.66000 -40.14000 -17.33000 -69.24000 -1.72000 89.86000 -86.92000 22.66000 38.43000 100.89000 0.00000 0.00000 0.00000 2.46000 16.76000 0.00000 -2.70000 0.00000 -1.59000 0.00000 0.00000 66.00000 SHO1_1QKX-17_29.PDB 34.16000 -40.19000 -16.72000 -69.92000 -2.36000 90.37000 -87.53000 22.79000 38.82000 101.02000 0.00000 0.00000 0.00000 2.39000 16.87000 0.00000 -2.71000 0.00000 -1.79000 0.00000 0.00000 66.00000 SHO1_1QKX-17_30.PDB 36.51000 -41.07000 -16.83000 -70.32000 -2.97000 92.42000 -87.91000 25.56000 39.31000 101.13000 0.00000 0.00000 0.00000 2.30000 16.91000 0.00000 -2.85000 0.00000 -2.27000 0.00000 0.00000 66.00000