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-27_1.PDB 26.49000 -40.66000 -14.99000 -70.56000 -1.01000 88.30000 -89.32000 20.53000 37.00000 99.22000 0.00000 0.00000 0.00000 3.02000 16.38000 0.00000 -3.32000 0.00000 -1.70000 0.00000 0.00000 66.00000 SHO1_1QKX-27_2.PDB 26.70000 -42.20000 -18.14000 -71.21000 -2.12000 90.79000 -89.37000 23.61000 39.09000 98.95000 0.00000 0.00000 0.00000 2.33000 16.78000 0.00000 -2.89000 0.00000 -2.14000 0.00000 0.00000 66.00000 SHO1_1QKX-27_3.PDB 29.45000 -42.92000 -14.82000 -71.67000 -2.13000 91.64000 -89.91000 23.70000 38.68000 99.64000 0.00000 0.00000 0.00000 2.43000 16.86000 0.00000 -3.05000 0.00000 -2.15000 0.00000 0.00000 66.00000 SHO1_1QKX-27_4.PDB 28.74000 -43.26000 -15.18000 -71.37000 -1.94000 91.71000 -89.38000 22.56000 38.46000 99.62000 0.00000 0.00000 0.00000 2.55000 16.82000 0.00000 -3.00000 0.00000 -2.04000 0.00000 0.00000 66.00000 SHO1_1QKX-27_5.PDB 28.77000 -42.78000 -15.02000 -71.63000 -2.09000 91.51000 -89.90000 22.40000 38.79000 100.19000 0.00000 0.00000 0.00000 2.32000 16.82000 0.00000 -2.95000 0.00000 -2.07000 0.00000 0.00000 66.00000 SHO1_1QKX-27_6.PDB 27.97000 -41.53000 -15.73000 -70.84000 -0.96000 88.95000 -89.59000 21.23000 37.48000 100.74000 0.00000 0.00000 0.00000 2.97000 16.41000 0.00000 -3.10000 0.00000 -1.65000 0.00000 0.00000 66.00000 SHO1_1QKX-27_7.PDB 25.98000 -41.16000 -15.62000 -70.62000 -1.58000 88.71000 -89.35000 21.80000 37.88000 98.64000 0.00000 0.00000 0.00000 2.84000 16.50000 0.00000 -3.48000 0.00000 -2.07000 0.00000 0.00000 66.00000 SHO1_1QKX-27_8.PDB 29.74000 -42.96000 -17.25000 -70.81000 -2.13000 90.45000 -89.11000 25.92000 39.35000 98.88000 0.00000 0.00000 0.00000 2.42000 16.87000 0.00000 -2.97000 0.00000 -2.06000 0.00000 0.00000 66.00000 SHO1_1QKX-27_9.PDB 28.30000 -43.06000 -17.16000 -71.10000 -2.46000 91.72000 -89.07000 23.69000 39.18000 99.03000 0.00000 0.00000 0.00000 2.53000 16.97000 0.00000 -2.99000 0.00000 -2.02000 0.00000 0.00000 66.00000 SHO1_1QKX-27_10.PDB 30.07000 -42.78000 -14.98000 -71.69000 -2.00000 91.98000 -89.78000 23.00000 38.81000 100.31000 0.00000 0.00000 0.00000 2.43000 16.83000 0.00000 -3.13000 0.00000 -2.09000 0.00000 0.00000 66.00000 SHO1_1QKX-27_11.PDB 27.34000 -41.69000 -14.33000 -70.19000 -1.33000 88.36000 -89.03000 21.06000 37.27000 99.21000 0.00000 0.00000 0.00000 3.01000 16.59000 0.00000 -3.21000 0.00000 -1.79000 0.00000 0.00000 66.00000 SHO1_1QKX-27_12.PDB 28.84000 -42.78000 -15.13000 -71.77000 -2.30000 91.94000 -89.88000 22.90000 39.08000 99.57000 0.00000 0.00000 0.00000 2.53000 16.82000 0.00000 -3.13000 0.00000 -2.18000 0.00000 0.00000 66.00000 SHO1_1QKX-27_13.PDB 29.51000 -41.88000 -15.42000 -71.47000 -2.17000 90.95000 -89.69000 24.91000 38.41000 98.79000 0.00000 0.00000 0.00000 2.59000 16.87000 0.00000 -3.33000 0.00000 -2.16000 0.00000 0.00000 66.00000 SHO1_1QKX-27_14.PDB 31.46000 -42.56000 -14.48000 -71.80000 -2.31000 91.80000 -89.91000 23.89000 38.33000 99.59000 0.00000 0.00000 0.00000 3.69000 16.95000 0.00000 -2.99000 0.00000 -1.80000 0.00000 0.00000 66.00000 SHO1_1QKX-27_15.PDB 27.68000 -41.65000 -14.24000 -70.86000 -1.18000 88.74000 -89.68000 21.04000 37.09000 100.15000 0.00000 0.00000 0.00000 3.10000 16.36000 0.00000 -3.16000 0.00000 -1.65000 0.00000 0.00000 66.00000 SHO1_1QKX-27_16.PDB 31.39000 -42.68000 -14.57000 -71.70000 -2.30000 91.59000 -90.02000 24.86000 38.47000 100.59000 0.00000 0.00000 0.00000 2.47000 16.84000 0.00000 -3.15000 0.00000 -2.19000 0.00000 0.00000 66.00000 SHO1_1QKX-27_17.PDB 29.39000 -43.07000 -18.30000 -70.94000 -1.90000 90.91000 -89.49000 24.56000 39.69000 98.84000 0.00000 0.00000 0.00000 3.68000 16.86000 0.00000 -2.67000 0.00000 -1.92000 0.00000 0.00000 66.00000 SHO1_1QKX-27_18.PDB 30.74000 -42.83000 -14.70000 -71.74000 -2.00000 91.86000 -89.95000 24.03000 38.57000 100.13000 0.00000 0.00000 0.00000 2.47000 16.80000 0.00000 -3.02000 0.00000 -2.07000 0.00000 0.00000 66.00000 SHO1_1QKX-27_19.PDB 27.30000 -41.01000 -15.59000 -70.00000 -1.61000 87.58000 -88.86000 22.47000 38.00000 98.61000 0.00000 0.00000 0.00000 3.01000 16.38000 0.00000 -3.28000 0.00000 -2.02000 0.00000 0.00000 66.00000 SHO1_1QKX-27_20.PDB 27.28000 -41.13000 -15.81000 -69.97000 -1.15000 87.28000 -88.98000 22.67000 37.66000 98.60000 0.00000 0.00000 0.00000 3.01000 16.39000 0.00000 -3.18000 0.00000 -1.72000 0.00000 0.00000 66.00000 SHO1_1QKX-27_21.PDB 31.17000 -43.42000 -15.82000 -71.90000 -2.28000 91.80000 -90.04000 24.96000 39.20000 99.78000 0.00000 0.00000 0.00000 4.09000 16.86000 0.00000 -3.13000 0.00000 -2.07000 0.00000 0.00000 66.00000 SHO1_1QKX-27_22.PDB 27.09000 -42.75000 -14.60000 -71.09000 -2.08000 90.30000 -89.51000 23.28000 38.37000 97.74000 0.00000 0.00000 0.00000 2.17000 16.90000 0.00000 -3.05000 0.00000 -1.69000 0.00000 0.00000 66.00000 SHO1_1QKX-27_23.PDB 30.08000 -41.90000 -15.30000 -70.95000 -1.12000 89.68000 -89.65000 22.37000 38.89000 99.65000 0.00000 0.00000 0.00000 3.33000 16.57000 0.00000 -3.27000 0.00000 -1.65000 0.00000 0.00000 66.00000 SHO1_1QKX-27_24.PDB 28.09000 -41.15000 -13.88000 -71.54000 -1.57000 89.45000 -90.43000 21.51000 37.95000 100.20000 0.00000 0.00000 0.00000 3.09000 16.40000 0.00000 -3.31000 0.00000 -2.22000 0.00000 0.00000 66.00000 SHO1_1QKX-27_25.PDB 28.80000 -42.92000 -16.48000 -71.19000 -1.88000 91.52000 -89.41000 23.39000 39.24000 99.27000 0.00000 0.00000 0.00000 2.47000 16.95000 0.00000 -3.23000 0.00000 -1.98000 0.00000 0.00000 66.00000 SHO1_1QKX-27_26.PDB 27.46000 -43.41000 -15.54000 -70.97000 -2.16000 90.75000 -89.40000 22.52000 39.05000 99.25000 0.00000 0.00000 0.00000 2.39000 16.85000 0.00000 -3.07000 0.00000 -1.95000 0.00000 0.00000 66.00000 SHO1_1QKX-27_27.PDB 23.78000 -41.40000 -19.01000 -70.75000 -1.76000 90.43000 -88.71000 19.57000 38.72000 99.17000 0.00000 0.00000 0.00000 2.94000 16.61000 0.00000 -3.44000 0.00000 -1.98000 0.00000 0.00000 66.00000 SHO1_1QKX-27_28.PDB 30.65000 -42.95000 -14.80000 -71.58000 -2.10000 91.48000 -90.09000 25.00000 38.87000 99.47000 0.00000 0.00000 0.00000 2.31000 16.98000 0.00000 -2.94000 0.00000 -2.02000 0.00000 0.00000 66.00000 SHO1_1QKX-27_29.PDB 29.58000 -42.84000 -14.71000 -71.68000 -2.06000 91.72000 -89.80000 23.50000 38.47000 98.94000 0.00000 0.00000 0.00000 2.40000 16.87000 0.00000 -2.72000 0.00000 -1.61000 0.00000 0.00000 66.00000 SHO1_1QKX-27_30.PDB 28.72000 -42.18000 -15.66000 -71.83000 -2.17000 91.64000 -90.02000 23.80000 38.74000 98.23000 0.00000 0.00000 0.00000 2.45000 16.86000 0.00000 -2.54000 0.00000 -1.75000 0.00000 0.00000 66.00000