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_1QCF-23_1.PDB 30.72000 -42.15000 -20.43000 -69.19000 -2.68000 93.45000 -85.72000 17.10000 41.13000 98.17000 0.00000 0.00000 1.24000 5.70000 26.41000 0.00000 -3.72000 0.00000 -2.19000 0.00000 0.00000 65.00000 SHO1_1QCF-23_2.PDB 30.29000 -41.26000 -19.25000 -69.94000 -2.52000 93.41000 -86.72000 16.13000 41.14000 97.79000 0.00000 0.00000 1.21000 6.00000 26.48000 0.00000 -3.91000 0.00000 -1.78000 0.00000 0.00000 65.00000 SHO1_1QCF-23_3.PDB 31.20000 -41.92000 -18.41000 -68.29000 -1.62000 90.76000 -85.25000 18.49000 38.88000 97.16000 0.00000 0.00000 1.26000 5.74000 26.41000 0.00000 -3.73000 0.00000 -1.86000 0.00000 0.00000 65.00000 SHO1_1QCF-23_4.PDB 31.54000 -41.78000 -18.79000 -68.84000 -2.37000 91.42000 -85.55000 18.82000 40.24000 97.48000 0.00000 0.00000 1.23000 5.52000 26.44000 0.00000 -3.67000 0.00000 -2.19000 0.00000 0.00000 65.00000 SHO1_1QCF-23_5.PDB 32.45000 -41.96000 -19.12000 -68.80000 -1.32000 91.61000 -85.36000 18.42000 39.34000 97.92000 0.00000 0.00000 1.22000 5.80000 26.39000 0.00000 -3.71000 0.00000 -1.59000 0.00000 0.00000 65.00000 SHO1_1QCF-23_6.PDB 31.65000 -40.73000 -16.38000 -68.25000 -1.23000 88.55000 -86.13000 16.68000 38.18000 98.00000 0.00000 0.00000 1.24000 6.57000 26.38000 0.00000 -3.22000 0.00000 -1.63000 0.00000 0.00000 65.00000 SHO1_1QCF-23_7.PDB 30.82000 -42.01000 -18.63000 -68.18000 -1.78000 91.06000 -84.95000 17.71000 38.84000 97.53000 0.00000 0.00000 1.23000 5.89000 26.35000 0.00000 -3.87000 0.00000 -2.00000 0.00000 0.00000 65.00000 SHO1_1QCF-23_8.PDB 31.73000 -41.95000 -18.83000 -68.12000 -2.03000 91.01000 -84.89000 19.03000 38.74000 97.68000 0.00000 0.00000 1.29000 5.75000 26.44000 0.00000 -3.78000 0.00000 -2.18000 0.00000 0.00000 65.00000 SHO1_1QCF-23_9.PDB 31.71000 -41.54000 -17.27000 -68.49000 -1.97000 90.08000 -85.63000 18.91000 38.71000 97.43000 0.00000 0.00000 1.27000 5.67000 26.44000 0.00000 -3.42000 0.00000 -2.02000 0.00000 0.00000 65.00000 SHO1_1QCF-23_10.PDB 30.66000 -42.11000 -19.66000 -69.48000 -2.40000 93.39000 -86.29000 14.95000 42.03000 98.96000 0.00000 0.00000 1.25000 6.03000 26.66000 0.00000 -3.52000 0.00000 -2.48000 0.00000 0.00000 65.00000 SHO1_1QCF-23_11.PDB 33.26000 -41.26000 -16.89000 -69.26000 -2.56000 91.73000 -86.08000 17.86000 40.33000 97.84000 0.00000 0.00000 1.31000 6.09000 26.50000 0.00000 -3.71000 0.00000 -2.14000 0.00000 0.00000 65.00000 SHO1_1QCF-23_12.PDB 31.73000 -41.63000 -20.58000 -69.77000 -1.91000 93.29000 -86.27000 17.79000 41.11000 97.74000 0.00000 0.00000 1.22000 5.80000 26.48000 0.00000 -3.96000 0.00000 -1.09000 0.00000 0.00000 65.00000 SHO1_1QCF-23_13.PDB 31.62000 -42.06000 -18.41000 -67.91000 -2.00000 91.08000 -84.21000 18.25000 38.81000 97.47000 0.00000 0.00000 1.23000 5.52000 26.35000 0.00000 -3.98000 0.00000 -2.18000 0.00000 0.00000 65.00000 SHO1_1QCF-23_14.PDB 30.74000 -42.44000 -19.77000 -68.82000 -1.42000 91.75000 -85.37000 17.86000 40.21000 97.05000 0.00000 0.00000 1.23000 5.80000 26.26000 0.00000 -3.91000 0.00000 -1.43000 0.00000 0.00000 65.00000 SHO1_1QCF-23_15.PDB 32.25000 -41.92000 -20.49000 -69.23000 -1.93000 92.22000 -85.57000 18.87000 40.90000 97.94000 0.00000 0.00000 1.21000 5.66000 26.41000 0.00000 -3.86000 0.00000 -1.54000 0.00000 0.00000 65.00000 SHO1_1QCF-23_16.PDB 31.90000 -41.29000 -19.25000 -68.90000 -2.48000 92.03000 -85.60000 18.82000 39.46000 97.94000 0.00000 0.00000 1.29000 5.53000 26.44000 0.00000 -3.98000 0.00000 -1.67000 0.00000 0.00000 65.00000 SHO1_1QCF-23_17.PDB 31.87000 -40.78000 -16.42000 -68.91000 -1.34000 88.53000 -87.23000 19.34000 38.50000 98.28000 0.00000 0.00000 1.25000 5.70000 26.59000 0.00000 -3.41000 0.00000 -1.64000 0.00000 0.00000 65.00000 SHO1_1QCF-23_18.PDB 31.27000 -41.53000 -18.51000 -68.85000 -1.98000 91.42000 -85.63000 18.76000 39.19000 97.84000 0.00000 0.00000 1.23000 5.59000 26.46000 0.00000 -4.00000 0.00000 -2.25000 0.00000 0.00000 65.00000 SHO1_1QCF-23_19.PDB 32.56000 -41.33000 -19.11000 -68.06000 -1.34000 89.88000 -85.39000 19.45000 38.44000 98.35000 0.00000 0.00000 1.20000 5.51000 26.31000 0.00000 -3.43000 0.00000 -1.63000 0.00000 0.00000 65.00000 SHO1_1QCF-23_20.PDB 28.98000 -42.19000 -17.86000 -68.25000 -1.29000 89.03000 -86.10000 16.19000 39.86000 97.89000 0.00000 0.00000 1.23000 5.74000 26.38000 0.00000 -3.49000 0.00000 -1.78000 0.00000 0.00000 65.00000 SHO1_1QCF-23_21.PDB 30.55000 -41.93000 -18.33000 -67.76000 -2.05000 90.76000 -84.28000 16.99000 39.09000 97.06000 0.00000 0.00000 1.22000 5.88000 26.33000 0.00000 -3.91000 0.00000 -2.18000 0.00000 0.00000 65.00000 SHO1_1QCF-23_22.PDB 30.34000 -41.91000 -18.90000 -67.85000 -1.86000 90.43000 -84.72000 18.30000 38.81000 96.87000 0.00000 0.00000 1.23000 5.71000 26.35000 0.00000 -3.88000 0.00000 -1.90000 0.00000 0.00000 65.00000 SHO1_1QCF-23_23.PDB 30.77000 -41.39000 -18.35000 -68.69000 -1.96000 90.76000 -85.56000 19.16000 39.40000 96.53000 0.00000 0.00000 1.23000 5.39000 26.42000 0.00000 -3.74000 0.00000 -2.02000 0.00000 0.00000 65.00000 SHO1_1QCF-23_24.PDB 30.38000 -41.40000 -18.45000 -67.95000 -1.67000 90.30000 -84.77000 17.73000 38.67000 96.50000 0.00000 0.00000 1.23000 5.55000 26.34000 0.00000 -3.58000 0.00000 -1.76000 0.00000 0.00000 65.00000 SHO1_1QCF-23_25.PDB 30.76000 -41.87000 -18.32000 -68.19000 -1.76000 91.28000 -84.85000 17.20000 39.17000 97.36000 0.00000 0.00000 1.22000 5.88000 26.39000 0.00000 -4.21000 0.00000 -2.15000 0.00000 0.00000 65.00000 SHO1_1QCF-23_26.PDB 31.04000 -41.26000 -18.75000 -68.04000 -1.91000 89.81000 -85.22000 15.91000 40.04000 98.93000 0.00000 0.00000 1.23000 6.05000 26.31000 0.00000 -3.42000 0.00000 -2.33000 0.00000 0.00000 65.00000 SHO1_1QCF-23_27.PDB 31.60000 -42.59000 -18.28000 -68.84000 -2.12000 91.43000 -85.70000 18.42000 40.66000 97.12000 0.00000 0.00000 1.23000 5.54000 26.38000 0.00000 -3.30000 0.00000 -1.96000 0.00000 0.00000 65.00000 SHO1_1QCF-23_28.PDB 32.53000 -41.94000 -19.39000 -67.95000 -0.97000 90.49000 -84.61000 18.25000 38.91000 97.43000 0.00000 0.00000 1.21000 5.90000 26.39000 0.00000 -3.73000 0.00000 -1.08000 0.00000 0.00000 65.00000 SHO1_1QCF-23_29.PDB 33.31000 -41.33000 -17.85000 -68.59000 -0.77000 88.58000 -86.32000 19.74000 38.87000 98.23000 0.00000 0.00000 1.27000 5.81000 26.45000 0.00000 -3.35000 0.00000 -0.99000 0.00000 0.00000 65.00000 SHO1_1QCF-23_30.PDB 31.91000 -42.11000 -17.77000 -68.37000 -2.13000 91.21000 -84.94000 17.50000 40.27000 97.34000 0.00000 0.00000 1.22000 5.69000 26.36000 0.00000 -3.63000 0.00000 -2.36000 0.00000 0.00000 65.00000