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-26_1.PDB 22.94000 -44.15000 -26.00000 -69.66000 -0.64000 91.66000 -87.07000 14.85000 41.70000 99.42000 0.00000 0.00000 1.23000 5.56000 26.05000 0.00000 -3.77000 0.00000 -0.19000 0.00000 0.00000 67.00000 SHO1_1QCF-26_2.PDB 25.53000 -44.33000 -26.06000 -69.24000 -0.62000 91.79000 -86.37000 14.93000 41.59000 100.77000 0.00000 0.00000 1.23000 5.68000 26.01000 0.00000 -3.69000 0.00000 -0.16000 0.00000 0.00000 67.00000 SHO1_1QCF-26_3.PDB 24.07000 -42.61000 -24.11000 -69.91000 -0.31000 91.08000 -87.61000 15.11000 40.40000 98.92000 0.00000 0.00000 1.23000 5.64000 26.18000 0.00000 -3.48000 0.00000 -0.29000 0.00000 0.00000 67.00000 SHO1_1QCF-26_4.PDB 24.81000 -44.99000 -24.05000 -69.81000 -1.36000 92.24000 -86.70000 14.67000 41.75000 99.30000 0.00000 0.00000 1.22000 6.48000 25.89000 0.00000 -3.13000 0.00000 -0.82000 0.00000 0.00000 67.00000 SHO1_1QCF-26_5.PDB 24.55000 -43.21000 -24.63000 -69.20000 -0.25000 90.92000 -86.80000 15.06000 40.36000 99.36000 0.00000 0.00000 1.23000 5.48000 25.97000 0.00000 -3.64000 0.00000 -0.14000 0.00000 0.00000 67.00000 SHO1_1QCF-26_6.PDB 24.06000 -44.08000 -25.85000 -69.10000 -0.21000 91.26000 -86.41000 14.92000 41.16000 99.47000 0.00000 0.00000 1.23000 5.49000 25.99000 0.00000 -3.65000 0.00000 -0.16000 0.00000 0.00000 67.00000 SHO1_1QCF-26_7.PDB 27.42000 -43.38000 -22.57000 -68.63000 -0.47000 91.10000 -85.85000 15.04000 39.56000 99.94000 0.00000 0.00000 1.23000 5.63000 26.08000 0.00000 -3.69000 0.00000 -0.50000 0.00000 0.00000 67.00000 SHO1_1QCF-26_8.PDB 25.91000 -42.73000 -24.33000 -69.47000 -0.30000 91.18000 -86.97000 14.92000 40.38000 100.26000 0.00000 0.00000 1.23000 5.59000 26.05000 0.00000 -3.61000 0.00000 -0.26000 0.00000 0.00000 67.00000 SHO1_1QCF-26_9.PDB 25.81000 -43.16000 -23.23000 -69.13000 -0.48000 91.29000 -86.49000 14.94000 40.10000 98.75000 0.00000 0.00000 1.23000 5.75000 26.04000 0.00000 -3.52000 0.00000 -0.26000 0.00000 0.00000 67.00000 SHO1_1QCF-26_10.PDB 23.68000 -43.96000 -22.99000 -68.99000 -0.30000 90.64000 -86.15000 13.98000 39.90000 99.01000 0.00000 0.00000 1.22000 5.68000 26.08000 0.00000 -3.66000 0.00000 -0.72000 0.00000 0.00000 67.00000 SHO1_1QCF-26_11.PDB 26.42000 -43.48000 -24.33000 -69.03000 -0.29000 91.15000 -86.45000 14.83000 40.16000 100.70000 0.00000 0.00000 1.23000 5.45000 25.96000 0.00000 -3.35000 0.00000 -0.17000 0.00000 0.00000 67.00000 SHO1_1QCF-26_12.PDB 25.63000 -44.38000 -25.79000 -69.12000 -0.27000 91.79000 -86.26000 14.91000 41.17000 100.89000 0.00000 0.00000 1.23000 5.49000 26.08000 0.00000 -3.81000 0.00000 -0.21000 0.00000 0.00000 67.00000 SHO1_1QCF-26_13.PDB 23.12000 -42.49000 -24.30000 -68.71000 -0.47000 89.76000 -86.23000 14.94000 39.77000 98.03000 0.00000 0.00000 1.23000 5.45000 26.01000 0.00000 -3.63000 0.00000 -0.24000 0.00000 0.00000 67.00000 SHO1_1QCF-26_14.PDB 27.29000 -43.33000 -22.42000 -68.84000 -0.74000 91.15000 -85.98000 15.91000 39.85000 99.11000 0.00000 0.00000 1.23000 5.54000 26.00000 0.00000 -3.69000 0.00000 -0.50000 0.00000 0.00000 67.00000 SHO1_1QCF-26_15.PDB 26.02000 -44.29000 -26.08000 -69.25000 -0.70000 91.88000 -86.25000 14.87000 41.67000 100.76000 0.00000 0.00000 1.23000 5.62000 25.97000 0.00000 -3.28000 0.00000 -0.16000 0.00000 0.00000 67.00000 SHO1_1QCF-26_16.PDB 24.85000 -43.32000 -23.59000 -69.77000 -0.27000 91.05000 -87.37000 14.99000 40.81000 99.29000 0.00000 0.00000 1.23000 5.76000 26.12000 0.00000 -3.75000 0.00000 -0.22000 0.00000 0.00000 67.00000 SHO1_1QCF-26_17.PDB 29.16000 -42.08000 -20.43000 -68.24000 -0.26000 89.81000 -85.48000 14.93000 38.10000 99.84000 0.00000 0.00000 1.23000 5.83000 26.02000 0.00000 -3.59000 0.00000 -0.52000 0.00000 0.00000 67.00000 SHO1_1QCF-26_18.PDB 23.24000 -45.71000 -24.55000 -69.78000 -1.08000 92.50000 -86.63000 14.31000 41.73000 99.35000 0.00000 0.00000 1.22000 6.35000 26.06000 0.00000 -3.62000 0.00000 -0.85000 0.00000 0.00000 67.00000 SHO1_1QCF-26_19.PDB 25.35000 -44.06000 -24.14000 -69.27000 -0.81000 91.58000 -86.23000 15.04000 41.27000 99.07000 0.00000 0.00000 1.23000 5.73000 25.99000 0.00000 -3.69000 0.00000 -0.37000 0.00000 0.00000 67.00000 SHO1_1QCF-26_20.PDB 24.36000 -43.28000 -24.91000 -69.85000 -0.37000 91.79000 -87.23000 14.94000 41.14000 99.33000 0.00000 0.00000 1.23000 5.56000 26.11000 0.00000 -3.66000 0.00000 -0.35000 0.00000 0.00000 67.00000 SHO1_1QCF-26_21.PDB 25.35000 -42.65000 -24.18000 -68.38000 -0.43000 89.91000 -85.70000 14.85000 39.60000 99.37000 0.00000 0.00000 1.23000 5.54000 25.93000 0.00000 -3.63000 0.00000 -0.18000 0.00000 0.00000 67.00000 SHO1_1QCF-26_22.PDB 27.47000 -43.54000 -23.78000 -68.38000 -0.78000 90.67000 -85.43000 15.30000 40.16000 100.37000 0.00000 0.00000 1.23000 5.54000 25.90000 0.00000 -3.52000 0.00000 -0.38000 0.00000 0.00000 67.00000 SHO1_1QCF-26_23.PDB 25.27000 -42.52000 -22.59000 -69.57000 -0.18000 90.48000 -87.17000 14.92000 39.92000 98.75000 0.00000 0.00000 1.23000 5.74000 26.05000 0.00000 -3.51000 0.00000 -0.24000 0.00000 0.00000 67.00000 SHO1_1QCF-26_24.PDB 26.60000 -42.68000 -24.07000 -69.53000 -0.32000 91.64000 -86.86000 14.95000 40.21000 100.27000 0.00000 0.00000 1.23000 5.59000 26.12000 0.00000 -3.62000 0.00000 -0.21000 0.00000 0.00000 67.00000 SHO1_1QCF-26_25.PDB 22.78000 -44.16000 -25.59000 -69.71000 -0.31000 91.55000 -86.99000 15.05000 41.63000 98.35000 0.00000 0.00000 1.23000 5.57000 26.29000 0.00000 -3.59000 0.00000 -0.27000 0.00000 0.00000 67.00000 SHO1_1QCF-26_26.PDB 24.47000 -43.34000 -25.08000 -69.33000 -0.34000 91.26000 -86.69000 14.97000 40.60000 99.35000 0.00000 0.00000 1.23000 5.62000 25.95000 0.00000 -3.65000 0.00000 -0.15000 0.00000 0.00000 67.00000 SHO1_1QCF-26_27.PDB 27.20000 -44.37000 -24.27000 -68.83000 -0.65000 91.75000 -85.73000 15.03000 40.95000 100.60000 0.00000 0.00000 1.23000 5.59000 26.07000 0.00000 -3.72000 0.00000 -0.39000 0.00000 0.00000 67.00000 SHO1_1QCF-26_28.PDB 25.88000 -42.53000 -22.44000 -68.69000 -0.05000 89.80000 -86.08000 15.10000 39.22000 98.39000 0.00000 0.00000 1.23000 5.68000 25.99000 0.00000 -3.46000 0.00000 -0.30000 0.00000 0.00000 67.00000 SHO1_1QCF-26_29.PDB 27.51000 -43.48000 -23.47000 -68.73000 -0.50000 91.50000 -85.66000 14.95000 40.07000 99.95000 0.00000 0.00000 1.23000 5.65000 25.99000 0.00000 -3.59000 0.00000 -0.43000 0.00000 0.00000 67.00000 SHO1_1QCF-26_30.PDB 24.64000 -44.16000 -25.85000 -69.59000 -0.50000 92.58000 -86.59000 14.99000 41.44000 99.63000 0.00000 0.00000 1.23000 5.64000 26.03000 0.00000 -3.82000 0.00000 -0.35000 0.00000 0.00000 67.00000