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-19_1.PDB 34.67000 -41.45000 -20.67000 -68.90000 -2.69000 92.15000 -86.35000 22.08000 39.64000 102.67000 0.00000 0.00000 0.00000 3.93000 17.47000 0.00000 -3.49000 0.00000 -2.26000 0.00000 0.00000 66.00000 SHO1_1QKX-19_2.PDB 32.50000 -42.10000 -24.12000 -68.29000 -3.47000 92.03000 -85.10000 22.35000 41.74000 102.43000 0.00000 0.00000 0.00000 3.71000 17.09000 0.00000 -3.68000 0.00000 -3.00000 0.00000 0.00000 66.00000 SHO1_1QKX-19_3.PDB 32.81000 -41.75000 -22.06000 -68.62000 -3.07000 91.89000 -85.92000 22.42000 40.59000 102.75000 0.00000 0.00000 0.00000 2.78000 16.96000 0.00000 -3.41000 0.00000 -2.80000 0.00000 0.00000 66.00000 SHO1_1QKX-19_4.PDB 34.96000 -41.25000 -19.42000 -67.69000 -2.89000 90.70000 -84.64000 22.18000 39.65000 102.41000 0.00000 0.00000 0.00000 2.51000 17.03000 0.00000 -3.48000 0.00000 -3.12000 0.00000 0.00000 66.00000 SHO1_1QKX-19_5.PDB 34.86000 -41.77000 -21.09000 -67.81000 -2.47000 90.52000 -85.41000 21.67000 40.13000 102.78000 0.00000 0.00000 0.00000 3.50000 17.19000 0.00000 -3.16000 0.00000 -2.03000 0.00000 0.00000 66.00000 SHO1_1QKX-19_6.PDB 34.16000 -41.02000 -21.29000 -69.25000 -2.56000 91.51000 -86.59000 22.72000 40.56000 103.25000 0.00000 0.00000 0.00000 2.74000 17.13000 0.00000 -3.21000 0.00000 -2.69000 0.00000 0.00000 66.00000 SHO1_1QKX-19_7.PDB 34.80000 -41.73000 -20.88000 -67.75000 -1.92000 90.57000 -85.62000 22.47000 39.95000 102.65000 0.00000 0.00000 0.00000 2.59000 16.94000 0.00000 -3.40000 0.00000 -2.13000 0.00000 0.00000 66.00000 SHO1_1QKX-19_8.PDB 33.93000 -43.14000 -21.97000 -68.99000 -3.96000 93.90000 -85.43000 23.76000 41.68000 102.46000 0.00000 0.00000 0.00000 3.21000 17.08000 0.00000 -4.03000 0.00000 -3.57000 0.00000 0.00000 66.00000 SHO1_1QKX-19_9.PDB 34.73000 -41.37000 -21.67000 -69.30000 -2.89000 93.13000 -86.08000 22.37000 41.67000 102.63000 0.00000 0.00000 0.00000 3.11000 17.08000 0.00000 -3.76000 0.00000 -3.10000 0.00000 0.00000 66.00000 SHO1_1QKX-19_10.PDB 34.00000 -40.48000 -21.55000 -67.37000 -2.28000 90.57000 -84.74000 20.96000 39.72000 101.92000 0.00000 0.00000 0.00000 3.64000 16.78000 0.00000 -3.80000 0.00000 -2.60000 0.00000 0.00000 66.00000 SHO1_1QKX-19_11.PDB 34.69000 -41.20000 -20.60000 -68.65000 -2.26000 90.88000 -85.99000 22.01000 40.64000 101.71000 0.00000 0.00000 0.00000 3.76000 17.34000 0.00000 -3.32000 0.00000 -2.29000 0.00000 0.00000 66.00000 SHO1_1QKX-19_12.PDB 34.30000 -40.27000 -19.64000 -67.76000 -2.19000 89.67000 -85.50000 21.77000 39.29000 101.85000 0.00000 0.00000 0.00000 2.67000 17.03000 0.00000 -3.56000 0.00000 -2.03000 0.00000 0.00000 66.00000 SHO1_1QKX-19_13.PDB 35.63000 -39.33000 -18.76000 -68.95000 -2.26000 91.12000 -86.32000 21.68000 39.64000 102.20000 0.00000 0.00000 0.00000 2.54000 17.10000 0.00000 -3.39000 0.00000 -2.53000 0.00000 0.00000 66.00000 SHO1_1QKX-19_14.PDB 35.75000 -43.04000 -23.14000 -69.98000 -3.03000 96.34000 -87.03000 23.29000 41.69000 102.11000 0.00000 0.00000 0.00000 3.96000 17.15000 0.00000 -2.84000 0.00000 -2.58000 0.00000 0.00000 66.00000 SHO1_1QKX-19_15.PDB 35.61000 -39.75000 -19.34000 -68.55000 -2.64000 91.33000 -85.94000 21.85000 39.32000 102.33000 0.00000 0.00000 0.00000 2.76000 17.03000 0.00000 -3.27000 0.00000 -2.48000 0.00000 0.00000 66.00000 SHO1_1QKX-19_16.PDB 35.22000 -40.43000 -21.33000 -67.77000 -2.81000 90.83000 -84.70000 21.90000 40.68000 101.50000 0.00000 0.00000 0.00000 3.57000 17.02000 0.00000 -3.38000 0.00000 -2.84000 0.00000 0.00000 66.00000 SHO1_1QKX-19_17.PDB 33.48000 -40.82000 -22.50000 -68.72000 -2.96000 91.61000 -85.58000 22.32000 40.91000 102.44000 0.00000 0.00000 0.00000 2.73000 17.02000 0.00000 -2.97000 0.00000 -2.97000 0.00000 0.00000 66.00000 SHO1_1QKX-19_18.PDB 34.44000 -40.25000 -19.84000 -69.22000 -2.08000 90.42000 -87.16000 21.37000 40.72000 102.20000 0.00000 0.00000 0.00000 3.67000 17.49000 0.00000 -3.10000 0.00000 -2.29000 0.00000 0.00000 66.00000 SHO1_1QKX-19_19.PDB 34.19000 -42.29000 -24.24000 -69.27000 -3.17000 94.53000 -85.92000 22.83000 42.39000 103.05000 0.00000 0.00000 0.00000 2.65000 17.16000 0.00000 -3.22000 0.00000 -3.15000 0.00000 0.00000 66.00000 SHO1_1QKX-19_20.PDB 35.17000 -40.63000 -20.56000 -68.91000 -3.18000 91.71000 -86.12000 22.83000 39.72000 102.25000 0.00000 0.00000 0.00000 3.73000 17.15000 0.00000 -2.82000 0.00000 -2.85000 0.00000 0.00000 66.00000 SHO1_1QKX-19_21.PDB 36.40000 -39.69000 -18.69000 -67.69000 -2.60000 90.12000 -84.90000 22.12000 39.42000 101.38000 0.00000 0.00000 0.00000 3.29000 16.95000 0.00000 -3.63000 0.00000 -2.72000 0.00000 0.00000 66.00000 SHO1_1QKX-19_22.PDB 33.94000 -40.85000 -17.50000 -69.73000 -4.17000 92.14000 -86.70000 22.66000 40.60000 101.81000 0.00000 0.00000 0.00000 2.75000 17.14000 0.00000 -3.17000 0.00000 -3.88000 0.00000 0.00000 66.00000 SHO1_1QKX-19_23.PDB 37.68000 -40.52000 -17.62000 -68.68000 -2.27000 91.46000 -86.65000 21.76000 38.55000 101.95000 0.00000 0.00000 0.00000 4.68000 17.30000 0.00000 -3.15000 0.00000 -1.83000 0.00000 0.00000 66.00000 SHO1_1QKX-19_24.PDB 33.60000 -42.30000 -22.62000 -69.90000 -2.59000 93.87000 -87.06000 22.29000 41.25000 103.50000 0.00000 0.00000 0.00000 3.52000 17.45000 0.00000 -3.77000 0.00000 -2.60000 0.00000 0.00000 66.00000 SHO1_1QKX-19_25.PDB 34.67000 -40.49000 -19.92000 -68.64000 -2.09000 89.88000 -86.84000 22.27000 39.71000 102.56000 0.00000 0.00000 0.00000 3.68000 17.16000 0.00000 -3.05000 0.00000 -2.42000 0.00000 0.00000 66.00000 SHO1_1QKX-19_26.PDB 36.51000 -40.64000 -23.39000 -69.57000 -2.80000 92.67000 -86.97000 23.37000 41.74000 103.03000 0.00000 0.00000 0.00000 4.66000 17.32000 0.00000 -2.97000 0.00000 -2.63000 0.00000 0.00000 66.00000 SHO1_1QKX-19_27.PDB 33.28000 -40.72000 -22.66000 -69.09000 -3.01000 91.81000 -85.90000 22.30000 41.84000 102.37000 0.00000 0.00000 0.00000 2.76000 17.16000 0.00000 -3.62000 0.00000 -2.80000 0.00000 0.00000 66.00000 SHO1_1QKX-19_28.PDB 36.36000 -40.66000 -18.75000 -69.25000 -2.73000 92.04000 -86.66000 22.50000 40.09000 101.25000 0.00000 0.00000 0.00000 4.09000 17.45000 0.00000 -3.36000 0.00000 -2.19000 0.00000 0.00000 66.00000 SHO1_1QKX-19_29.PDB 34.94000 -41.18000 -22.26000 -67.72000 -2.71000 91.33000 -84.88000 22.49000 41.42000 101.67000 0.00000 0.00000 0.00000 2.83000 16.87000 0.00000 -3.65000 0.00000 -2.41000 0.00000 0.00000 66.00000 SHO1_1QKX-19_30.PDB 36.33000 -41.32000 -21.09000 -68.81000 -2.44000 92.50000 -86.23000 22.31000 41.14000 102.75000 0.00000 0.00000 0.00000 3.64000 17.15000 0.00000 -3.39000 0.00000 -2.74000 0.00000 0.00000 66.00000