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-12_1.PDB 25.50000 -44.10000 -18.93000 -68.20000 -1.78000 90.61000 -85.86000 15.54000 39.95000 96.60000 0.00000 0.00000 1.20000 6.47000 27.20000 0.00000 -3.65000 0.00000 -2.36000 0.00000 0.00000 66.00000 SHO1_1QCF-12_2.PDB 27.93000 -44.04000 -18.87000 -68.95000 -1.91000 91.99000 -86.38000 15.29000 40.52000 98.42000 0.00000 0.00000 1.24000 6.67000 27.42000 0.00000 -3.66000 0.00000 -2.40000 0.00000 0.00000 66.00000 SHO1_1QCF-12_3.PDB 27.08000 -42.46000 -17.29000 -67.99000 -2.03000 89.53000 -85.81000 15.26000 39.28000 96.74000 0.00000 0.00000 1.22000 6.52000 27.04000 0.00000 -3.63000 0.00000 -2.27000 0.00000 0.00000 66.00000 SHO1_1QCF-12_4.PDB 29.85000 -43.06000 -17.89000 -68.79000 -1.81000 91.95000 -86.17000 15.78000 39.74000 98.30000 0.00000 0.00000 1.22000 6.46000 27.46000 0.00000 -3.57000 0.00000 -2.30000 0.00000 0.00000 66.00000 SHO1_1QCF-12_5.PDB 27.28000 -43.34000 -18.18000 -68.34000 -1.89000 90.48000 -85.98000 14.61000 39.94000 97.52000 0.00000 0.00000 1.22000 6.89000 27.19000 0.00000 -3.17000 0.00000 -2.47000 0.00000 0.00000 66.00000 SHO1_1QCF-12_6.PDB 28.77000 -41.43000 -16.24000 -67.67000 -1.95000 88.21000 -85.60000 15.44000 38.94000 97.31000 0.00000 0.00000 1.20000 6.43000 27.11000 0.00000 -3.41000 0.00000 -2.48000 0.00000 0.00000 66.00000 SHO1_1QCF-12_7.PDB 26.26000 -44.79000 -19.62000 -68.01000 -1.57000 90.22000 -85.82000 16.74000 40.58000 96.99000 0.00000 0.00000 1.20000 6.14000 27.14000 0.00000 -3.77000 0.00000 -2.04000 0.00000 0.00000 66.00000 SHO1_1QCF-12_8.PDB 28.24000 -44.03000 -18.87000 -68.42000 -1.50000 91.27000 -85.93000 15.52000 40.28000 98.19000 0.00000 0.00000 1.20000 6.31000 27.35000 0.00000 -3.77000 0.00000 -2.01000 0.00000 0.00000 66.00000 SHO1_1QCF-12_9.PDB 25.25000 -43.99000 -19.99000 -68.18000 -1.78000 90.29000 -86.04000 16.54000 39.73000 96.89000 0.00000 0.00000 1.24000 6.09000 27.22000 0.00000 -3.66000 0.00000 -1.88000 0.00000 0.00000 66.00000 SHO1_1QCF-12_10.PDB 29.18000 -40.93000 -17.37000 -69.62000 -2.61000 90.30000 -87.53000 15.30000 39.52000 98.55000 0.00000 0.00000 1.22000 7.27000 27.37000 0.00000 -2.88000 0.00000 -2.06000 0.00000 0.00000 66.00000 SHO1_1QCF-12_11.PDB 28.27000 -45.62000 -22.03000 -69.94000 -2.58000 94.76000 -86.97000 16.88000 41.88000 99.67000 0.00000 0.00000 1.21000 6.74000 27.30000 0.00000 -3.19000 0.00000 -2.54000 0.00000 0.00000 66.00000 SHO1_1QCF-12_12.PDB 29.44000 -43.28000 -18.12000 -67.89000 -1.69000 89.63000 -85.75000 16.92000 39.46000 97.80000 0.00000 0.00000 1.20000 6.45000 27.23000 0.00000 -3.46000 0.00000 -1.82000 0.00000 0.00000 66.00000 SHO1_1QCF-12_13.PDB 23.60000 -44.92000 -19.71000 -68.44000 -2.59000 90.67000 -85.67000 14.03000 42.25000 96.36000 0.00000 0.00000 1.21000 6.51000 27.30000 0.00000 -3.29000 0.00000 -2.81000 0.00000 0.00000 66.00000 SHO1_1QCF-12_14.PDB 25.91000 -47.16000 -21.91000 -69.35000 -2.25000 94.02000 -86.12000 14.76000 43.48000 98.37000 0.00000 0.00000 1.22000 6.64000 27.16000 0.00000 -3.31000 0.00000 -2.49000 0.00000 0.00000 66.00000 SHO1_1QCF-12_15.PDB 26.19000 -44.07000 -19.72000 -67.58000 -1.68000 89.27000 -85.28000 16.42000 39.96000 97.11000 0.00000 0.00000 1.23000 5.91000 27.16000 0.00000 -3.70000 0.00000 -1.69000 0.00000 0.00000 66.00000 SHO1_1QCF-12_16.PDB 29.27000 -44.09000 -18.93000 -67.90000 -1.61000 90.20000 -85.32000 16.61000 40.09000 98.45000 0.00000 0.00000 1.20000 6.14000 27.29000 0.00000 -3.89000 0.00000 -1.70000 0.00000 0.00000 66.00000 SHO1_1QCF-12_17.PDB 26.15000 -45.66000 -20.49000 -68.16000 -1.72000 91.26000 -85.59000 14.61000 41.49000 98.05000 0.00000 0.00000 1.21000 6.80000 27.21000 0.00000 -3.71000 0.00000 -1.94000 0.00000 0.00000 66.00000 SHO1_1QCF-12_18.PDB 28.36000 -44.12000 -18.95000 -67.91000 -1.42000 90.53000 -85.51000 15.89000 39.78000 97.48000 0.00000 0.00000 1.20000 6.48000 27.29000 0.00000 -3.39000 0.00000 -1.70000 0.00000 0.00000 66.00000 SHO1_1QCF-12_19.PDB 25.50000 -43.93000 -19.49000 -67.90000 -2.11000 89.64000 -85.52000 16.28000 40.30000 96.74000 0.00000 0.00000 1.21000 6.18000 27.29000 0.00000 -3.61000 0.00000 -2.30000 0.00000 0.00000 66.00000 SHO1_1QCF-12_20.PDB 26.87000 -44.01000 -18.83000 -69.10000 -2.04000 91.57000 -86.75000 14.80000 41.01000 98.34000 0.00000 0.00000 1.23000 6.61000 27.62000 0.00000 -3.53000 0.00000 -2.44000 0.00000 0.00000 66.00000 SHO1_1QCF-12_21.PDB 28.15000 -44.16000 -18.97000 -68.61000 -1.48000 90.14000 -86.53000 17.67000 40.31000 96.95000 0.00000 0.00000 1.22000 6.64000 27.36000 0.00000 -3.35000 0.00000 -1.69000 0.00000 0.00000 66.00000 SHO1_1QCF-12_22.PDB 25.79000 -42.34000 -17.91000 -68.25000 -2.28000 90.20000 -85.87000 15.25000 39.18000 96.13000 0.00000 0.00000 1.21000 6.52000 27.24000 0.00000 -3.68000 0.00000 -2.38000 0.00000 0.00000 66.00000 SHO1_1QCF-12_23.PDB 25.85000 -43.25000 -18.07000 -68.22000 -1.63000 89.81000 -86.07000 14.70000 39.29000 96.78000 0.00000 0.00000 1.22000 6.43000 27.23000 0.00000 -3.43000 0.00000 -1.70000 0.00000 0.00000 66.00000 SHO1_1QCF-12_24.PDB 27.17000 -43.92000 -19.89000 -68.05000 -2.23000 91.02000 -85.44000 16.07000 40.20000 98.04000 0.00000 0.00000 1.21000 6.12000 27.40000 0.00000 -3.67000 0.00000 -2.28000 0.00000 0.00000 66.00000 SHO1_1QCF-12_25.PDB 28.17000 -44.06000 -18.89000 -69.71000 -1.48000 91.22000 -87.93000 16.26000 41.37000 98.46000 0.00000 0.00000 1.20000 6.67000 27.56000 0.00000 -3.33000 0.00000 -1.61000 0.00000 0.00000 66.00000 SHO1_1QCF-12_26.PDB 29.79000 -43.30000 -18.12000 -69.52000 -1.65000 91.04000 -87.68000 17.02000 40.52000 98.36000 0.00000 0.00000 1.20000 6.77000 27.49000 0.00000 -3.26000 0.00000 -1.59000 0.00000 0.00000 66.00000 SHO1_1QCF-12_27.PDB 26.64000 -43.58000 -18.41000 -68.48000 -2.04000 90.84000 -86.05000 14.93000 39.88000 97.40000 0.00000 0.00000 1.22000 6.93000 27.21000 0.00000 -3.69000 0.00000 -2.32000 0.00000 0.00000 66.00000 SHO1_1QCF-12_28.PDB 26.75000 -43.84000 -18.67000 -68.03000 -1.73000 90.66000 -85.71000 14.77000 40.12000 97.53000 0.00000 0.00000 1.23000 6.48000 27.21000 0.00000 -3.87000 0.00000 -2.21000 0.00000 0.00000 66.00000 SHO1_1QCF-12_29.PDB 25.89000 -42.35000 -19.10000 -70.12000 -2.95000 91.21000 -87.98000 13.97000 41.32000 98.08000 0.00000 0.00000 1.21000 7.73000 27.56000 0.00000 -2.82000 0.00000 -2.32000 0.00000 0.00000 66.00000 SHO1_1QCF-12_30.PDB 29.85000 -43.33000 -18.17000 -69.36000 -1.52000 90.94000 -87.29000 17.08000 40.32000 98.03000 0.00000 0.00000 1.23000 6.88000 27.49000 0.00000 -3.36000 0.00000 -1.60000 0.00000 0.00000 66.00000