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-21_1.PDB 43.00000 -44.97000 -16.11000 -73.06000 -3.29000 96.39000 -91.11000 31.30000 41.16000 105.34000 0.00000 0.00000 0.00000 3.79000 24.71000 0.00000 -3.75000 0.00000 -2.68000 0.00000 0.00000 67.00000 SHO1_1QKX-21_2.PDB 40.45000 -44.39000 -16.24000 -73.53000 -3.62000 96.50000 -91.57000 28.22000 41.46000 105.28000 0.00000 0.00000 0.00000 3.77000 24.57000 0.00000 -2.81000 0.00000 -2.62000 0.00000 0.00000 67.00000 SHO1_1QKX-21_3.PDB 40.53000 -42.98000 -13.97000 -72.82000 -2.98000 95.17000 -91.48000 27.77000 38.98000 104.02000 0.00000 0.00000 0.00000 3.95000 24.52000 0.00000 -3.06000 0.00000 -2.07000 0.00000 0.00000 67.00000 SHO1_1QKX-21_4.PDB 38.37000 -44.93000 -15.95000 -73.88000 -5.05000 98.01000 -91.15000 28.62000 40.45000 105.64000 0.00000 0.00000 0.00000 3.61000 25.01000 0.00000 -3.88000 0.00000 -3.12000 0.00000 0.00000 67.00000 SHO1_1QKX-21_5.PDB 40.65000 -43.67000 -14.49000 -73.01000 -3.14000 95.47000 -91.44000 27.81000 40.44000 104.19000 0.00000 0.00000 0.00000 3.64000 24.41000 0.00000 -3.05000 0.00000 -2.09000 0.00000 0.00000 67.00000 SHO1_1QKX-21_6.PDB 41.46000 -43.68000 -13.42000 -73.33000 -3.10000 96.57000 -91.79000 27.76000 40.01000 104.25000 0.00000 0.00000 0.00000 3.83000 24.63000 0.00000 -3.55000 0.00000 -2.10000 0.00000 0.00000 67.00000 SHO1_1QKX-21_7.PDB 38.05000 -44.51000 -16.22000 -73.98000 -3.51000 97.47000 -91.89000 26.15000 41.94000 105.67000 0.00000 0.00000 0.00000 2.99000 25.13000 0.00000 -3.21000 0.00000 -2.86000 0.00000 0.00000 67.00000 SHO1_1QKX-21_8.PDB 41.04000 -43.70000 -15.80000 -74.51000 -2.82000 95.63000 -93.52000 31.55000 41.03000 105.59000 0.00000 0.00000 0.00000 2.90000 24.84000 0.00000 -3.08000 0.00000 -2.23000 0.00000 0.00000 67.00000 SHO1_1QKX-21_9.PDB 33.53000 -44.26000 -16.01000 -74.00000 -3.32000 96.98000 -91.96000 23.69000 41.09000 105.13000 0.00000 0.00000 0.00000 2.69000 25.15000 0.00000 -3.55000 0.00000 -2.96000 0.00000 0.00000 67.00000 SHO1_1QKX-21_10.PDB 43.67000 -43.97000 -13.58000 -73.68000 -3.56000 96.31000 -91.99000 30.85000 39.48000 106.36000 0.00000 0.00000 0.00000 4.01000 25.23000 0.00000 -3.89000 0.00000 -2.68000 0.00000 0.00000 67.00000 SHO1_1QKX-21_11.PDB 36.46000 -44.38000 -14.50000 -72.93000 -3.39000 96.47000 -91.19000 24.82000 39.97000 104.37000 0.00000 0.00000 0.00000 2.80000 24.97000 0.00000 -3.18000 0.00000 -2.40000 0.00000 0.00000 67.00000 SHO1_1QKX-21_12.PDB 36.75000 -45.74000 -15.59000 -73.84000 -3.83000 97.75000 -91.57000 26.17000 41.59000 106.20000 0.00000 0.00000 0.00000 2.62000 25.21000 0.00000 -3.95000 0.00000 -3.06000 0.00000 0.00000 67.00000 SHO1_1QKX-21_13.PDB 42.13000 -43.75000 -13.55000 -73.31000 -3.62000 95.96000 -91.34000 29.11000 39.27000 106.28000 0.00000 0.00000 0.00000 3.86000 24.88000 0.00000 -4.08000 0.00000 -2.69000 0.00000 0.00000 67.00000 SHO1_1QKX-21_14.PDB 38.42000 -43.36000 -16.08000 -74.56000 -2.95000 95.62000 -93.72000 29.31000 41.12000 105.69000 0.00000 0.00000 0.00000 2.56000 24.88000 0.00000 -3.00000 0.00000 -2.20000 0.00000 0.00000 67.00000 SHO1_1QKX-21_15.PDB 34.16000 -44.86000 -15.84000 -73.27000 -3.35000 96.86000 -91.49000 22.98000 41.19000 104.63000 0.00000 0.00000 0.00000 2.85000 24.87000 0.00000 -3.22000 0.00000 -2.33000 0.00000 0.00000 67.00000 SHO1_1QKX-21_16.PDB 40.50000 -42.91000 -12.88000 -74.09000 -2.17000 94.12000 -94.03000 30.31000 39.11000 105.09000 0.00000 0.00000 0.00000 2.65000 24.79000 0.00000 -2.92000 0.00000 -1.77000 0.00000 0.00000 67.00000 SHO1_1QKX-21_17.PDB 39.15000 -43.12000 -14.66000 -73.85000 -3.68000 96.14000 -92.27000 27.72000 40.06000 104.35000 0.00000 0.00000 0.00000 4.00000 24.70000 0.00000 -2.97000 0.00000 -2.58000 0.00000 0.00000 67.00000 SHO1_1QKX-21_18.PDB 36.86000 -43.01000 -15.46000 -74.60000 -3.53000 97.54000 -92.45000 24.75000 40.86000 105.14000 0.00000 0.00000 0.00000 2.98000 25.36000 0.00000 -2.75000 0.00000 -2.60000 0.00000 0.00000 67.00000 SHO1_1QKX-21_19.PDB 45.49000 -43.67000 -14.45000 -73.60000 -2.96000 96.47000 -92.02000 30.60000 40.38000 105.72000 0.00000 0.00000 0.00000 4.01000 25.02000 0.00000 -2.87000 0.00000 -2.11000 0.00000 0.00000 67.00000 SHO1_1QKX-21_20.PDB 41.26000 -44.40000 -15.27000 -74.82000 -5.51000 98.37000 -92.59000 33.03000 41.22000 105.44000 0.00000 0.00000 0.00000 2.77000 25.10000 0.00000 -3.65000 0.00000 -3.33000 0.00000 0.00000 67.00000 SHO1_1QKX-21_21.PDB 41.41000 -45.08000 -14.91000 -74.48000 -6.16000 98.73000 -91.88000 31.30000 41.82000 105.90000 0.00000 0.00000 0.00000 3.06000 24.97000 0.00000 -3.08000 0.00000 -3.83000 0.00000 0.00000 67.00000 SHO1_1QKX-21_22.PDB 43.53000 -43.90000 -14.76000 -73.85000 -2.93000 96.59000 -92.15000 29.25000 40.76000 105.75000 0.00000 0.00000 0.00000 3.61000 24.89000 0.00000 -2.77000 0.00000 -2.09000 0.00000 0.00000 67.00000 SHO1_1QKX-21_23.PDB 44.29000 -44.75000 -14.48000 -74.25000 -3.42000 97.92000 -92.12000 30.89000 40.93000 106.49000 0.00000 0.00000 0.00000 3.60000 24.98000 0.00000 -3.86000 0.00000 -2.66000 0.00000 0.00000 67.00000 SHO1_1QKX-21_24.PDB 38.28000 -43.35000 -14.13000 -73.66000 -2.33000 93.45000 -93.41000 28.42000 39.95000 105.81000 0.00000 0.00000 0.00000 2.36000 24.72000 0.00000 -3.05000 0.00000 -1.77000 0.00000 0.00000 67.00000 SHO1_1QKX-21_25.PDB 34.96000 -44.31000 -15.18000 -72.66000 -3.40000 95.89000 -90.75000 23.12000 40.29000 104.53000 0.00000 0.00000 0.00000 2.77000 24.74000 0.00000 -3.03000 0.00000 -2.32000 0.00000 0.00000 67.00000 SHO1_1QKX-21_26.PDB 39.76000 -44.72000 -14.47000 -74.57000 -3.14000 96.43000 -93.69000 30.38000 40.76000 105.98000 0.00000 0.00000 0.00000 2.50000 24.89000 0.00000 -3.38000 0.00000 -2.31000 0.00000 0.00000 67.00000 SHO1_1QKX-21_27.PDB 35.19000 -43.73000 -13.51000 -74.67000 -3.25000 98.11000 -92.45000 22.72000 40.43000 105.42000 0.00000 0.00000 0.00000 2.67000 25.48000 0.00000 -3.84000 0.00000 -2.71000 0.00000 0.00000 67.00000 SHO1_1QKX-21_28.PDB 41.61000 -43.69000 -14.85000 -72.88000 -3.02000 95.42000 -91.56000 28.64000 40.38000 104.14000 0.00000 0.00000 0.00000 4.04000 24.32000 0.00000 -2.96000 0.00000 -2.05000 0.00000 0.00000 67.00000 SHO1_1QKX-21_29.PDB 41.78000 -45.56000 -15.71000 -75.68000 -7.68000 101.31000 -92.61000 34.72000 42.62000 105.62000 0.00000 0.00000 0.00000 2.92000 25.47000 0.00000 -3.83000 0.00000 -4.34000 0.00000 0.00000 67.00000 SHO1_1QKX-21_30.PDB 41.74000 -43.97000 -15.02000 -73.24000 -3.12000 96.24000 -91.54000 28.91000 40.71000 104.18000 0.00000 0.00000 0.00000 3.84000 24.71000 0.00000 -2.94000 0.00000 -2.30000 0.00000 0.00000 67.00000