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-13_1.PDB 26.10000 -45.18000 -21.79000 -69.72000 -0.51000 92.94000 -86.21000 15.66000 39.80000 98.22000 0.00000 0.00000 1.21000 5.93000 25.58000 0.00000 -3.96000 0.00000 -0.29000 0.00000 0.00000 66.00000 SHO1_1QCF-13_2.PDB 27.91000 -44.76000 -21.97000 -69.45000 -0.63000 92.59000 -85.69000 15.68000 39.90000 98.87000 0.00000 0.00000 1.21000 6.38000 25.60000 0.00000 -3.93000 0.00000 -0.30000 0.00000 0.00000 66.00000 SHO1_1QCF-13_3.PDB 26.62000 -46.18000 -23.44000 -70.17000 -1.04000 94.91000 -86.23000 15.92000 41.26000 99.20000 0.00000 0.00000 1.21000 6.00000 25.66000 0.00000 -4.08000 0.00000 -0.74000 0.00000 0.00000 66.00000 SHO1_1QCF-13_4.PDB 24.67000 -45.73000 -22.93000 -70.13000 -0.63000 94.00000 -86.34000 15.93000 40.42000 97.04000 0.00000 0.00000 1.21000 6.20000 25.65000 0.00000 -4.14000 0.00000 -0.24000 0.00000 0.00000 66.00000 SHO1_1QCF-13_5.PDB 26.65000 -43.89000 -20.63000 -69.11000 -0.60000 91.84000 -85.39000 15.32000 38.77000 97.80000 0.00000 0.00000 1.21000 5.61000 25.54000 0.00000 -4.03000 0.00000 -0.24000 0.00000 0.00000 66.00000 SHO1_1QCF-13_6.PDB 26.75000 -45.93000 -22.88000 -70.00000 -1.09000 94.63000 -86.03000 16.06000 41.24000 98.27000 0.00000 0.00000 1.20000 6.11000 25.59000 0.00000 -4.11000 0.00000 -0.71000 0.00000 0.00000 66.00000 SHO1_1QCF-13_7.PDB 25.85000 -43.45000 -20.73000 -69.96000 -0.55000 92.00000 -87.10000 16.05000 39.25000 97.06000 0.00000 0.00000 1.21000 6.06000 25.56000 0.00000 -3.71000 0.00000 -0.31000 0.00000 0.00000 66.00000 SHO1_1QCF-13_8.PDB 26.28000 -45.37000 -22.63000 -71.30000 -0.34000 94.83000 -88.13000 16.31000 41.02000 98.08000 0.00000 0.00000 1.21000 6.47000 25.64000 0.00000 -3.81000 0.00000 -0.07000 0.00000 0.00000 66.00000 SHO1_1QCF-13_9.PDB 26.06000 -47.13000 -24.45000 -70.33000 -0.63000 94.94000 -86.92000 17.99000 40.49000 98.84000 0.00000 0.00000 1.21000 6.22000 25.51000 0.00000 -3.90000 0.00000 -0.28000 0.00000 0.00000 66.00000 SHO1_1QCF-13_10.PDB 26.44000 -45.82000 -23.14000 -70.70000 -1.07000 94.92000 -87.28000 16.67000 41.41000 98.44000 0.00000 0.00000 1.21000 6.26000 25.62000 0.00000 -3.74000 0.00000 -0.72000 0.00000 0.00000 66.00000 SHO1_1QCF-13_11.PDB 26.28000 -43.90000 -21.16000 -69.44000 -0.60000 92.02000 -86.14000 15.62000 38.80000 97.72000 0.00000 0.00000 1.21000 6.11000 25.58000 0.00000 -3.67000 0.00000 -0.29000 0.00000 0.00000 66.00000 SHO1_1QCF-13_12.PDB 28.09000 -45.36000 -22.66000 -70.43000 -1.12000 94.89000 -86.81000 17.23000 41.00000 98.35000 0.00000 0.00000 1.21000 6.30000 25.62000 0.00000 -3.76000 0.00000 -0.74000 0.00000 0.00000 66.00000 SHO1_1QCF-13_13.PDB 25.66000 -45.73000 -22.98000 -70.15000 -0.56000 93.71000 -86.35000 15.90000 40.48000 97.92000 0.00000 0.00000 1.21000 6.29000 25.65000 0.00000 -3.95000 0.00000 -0.13000 0.00000 0.00000 66.00000 SHO1_1QCF-13_14.PDB 27.34000 -45.08000 -20.62000 -69.75000 -0.48000 92.71000 -86.27000 15.32000 39.38000 99.10000 0.00000 0.00000 1.21000 5.92000 25.67000 0.00000 -4.07000 0.00000 -0.03000 0.00000 0.00000 66.00000 SHO1_1QCF-13_15.PDB 27.03000 -47.26000 -23.85000 -70.38000 -0.94000 95.39000 -86.48000 15.89000 41.92000 99.87000 0.00000 0.00000 1.21000 6.08000 25.64000 0.00000 -3.94000 0.00000 -0.49000 0.00000 0.00000 66.00000 SHO1_1QCF-13_16.PDB 24.63000 -46.12000 -23.41000 -69.94000 -0.53000 93.99000 -86.21000 15.50000 40.83000 97.27000 0.00000 0.00000 1.21000 6.13000 25.64000 0.00000 -4.02000 0.00000 -0.07000 0.00000 0.00000 66.00000 SHO1_1QCF-13_17.PDB 26.50000 -45.19000 -22.51000 -69.35000 -0.38000 92.59000 -85.77000 15.35000 39.92000 98.10000 0.00000 0.00000 1.21000 6.11000 25.50000 0.00000 -3.58000 0.00000 -0.00000 0.00000 0.00000 66.00000 SHO1_1QCF-13_18.PDB 27.20000 -45.00000 -22.07000 -70.64000 -0.49000 94.14000 -86.96000 16.29000 40.34000 98.43000 0.00000 0.00000 1.21000 6.17000 25.63000 0.00000 -4.08000 0.00000 -0.13000 0.00000 0.00000 66.00000 SHO1_1QCF-13_19.PDB 25.89000 -46.07000 -23.36000 -70.31000 -1.06000 94.69000 -86.38000 16.16000 41.30000 98.39000 0.00000 0.00000 1.21000 6.05000 25.62000 0.00000 -4.15000 0.00000 -0.58000 0.00000 0.00000 66.00000 SHO1_1QCF-13_20.PDB 28.50000 -44.66000 -21.73000 -69.26000 -0.44000 92.18000 -85.47000 15.82000 39.79000 98.72000 0.00000 0.00000 1.20000 6.14000 25.55000 0.00000 -3.69000 0.00000 -0.10000 0.00000 0.00000 66.00000 SHO1_1QCF-13_21.PDB 25.58000 -43.84000 -21.10000 -70.17000 -0.38000 92.19000 -87.31000 15.86000 39.52000 97.18000 0.00000 0.00000 1.21000 6.35000 25.57000 0.00000 -3.86000 0.00000 -0.07000 0.00000 0.00000 66.00000 SHO1_1QCF-13_22.PDB 26.26000 -46.98000 -22.52000 -70.64000 -0.65000 95.37000 -86.95000 16.22000 41.27000 98.16000 0.00000 0.00000 1.21000 6.02000 25.67000 0.00000 -3.97000 0.00000 -0.28000 0.00000 0.00000 66.00000 SHO1_1QCF-13_23.PDB 27.52000 -45.43000 -23.28000 -69.70000 -0.80000 93.82000 -85.63000 16.18000 40.66000 98.74000 0.00000 0.00000 1.21000 6.18000 25.55000 0.00000 -3.96000 0.00000 -0.49000 0.00000 0.00000 66.00000 SHO1_1QCF-13_24.PDB 24.83000 -45.55000 -23.29000 -69.83000 -0.54000 93.71000 -85.94000 15.64000 40.60000 96.88000 0.00000 0.00000 1.21000 6.14000 25.62000 0.00000 -4.12000 0.00000 -0.08000 0.00000 0.00000 66.00000 SHO1_1QCF-13_25.PDB 25.76000 -45.49000 -22.77000 -70.89000 -0.39000 93.96000 -87.73000 15.67000 40.90000 99.13000 0.00000 0.00000 1.21000 6.36000 25.61000 0.00000 -4.08000 0.00000 -0.11000 0.00000 0.00000 66.00000 SHO1_1QCF-13_26.PDB 27.40000 -44.40000 -21.63000 -69.32000 -0.39000 92.26000 -85.56000 15.66000 39.48000 97.91000 0.00000 0.00000 1.21000 6.06000 25.56000 0.00000 -3.83000 0.00000 -0.06000 0.00000 0.00000 66.00000 SHO1_1QCF-13_27.PDB 27.60000 -45.51000 -22.77000 -70.75000 -0.52000 94.90000 -87.14000 15.29000 41.42000 99.12000 0.00000 0.00000 1.21000 6.54000 25.63000 0.00000 -3.92000 0.00000 -0.28000 0.00000 0.00000 66.00000 SHO1_1QCF-13_28.PDB 26.68000 -45.97000 -23.17000 -70.52000 -1.12000 95.10000 -86.78000 15.45000 41.47000 99.56000 0.00000 0.00000 1.21000 6.01000 25.57000 0.00000 -3.88000 0.00000 -0.67000 0.00000 0.00000 66.00000 SHO1_1QCF-13_29.PDB 24.42000 -46.42000 -21.89000 -70.39000 -0.63000 93.80000 -87.08000 17.00000 41.06000 96.66000 0.00000 0.00000 1.21000 5.53000 25.61000 0.00000 -4.15000 0.00000 -0.28000 0.00000 0.00000 66.00000 SHO1_1QCF-13_30.PDB 26.27000 -46.02000 -23.81000 -69.77000 -1.00000 94.49000 -85.68000 15.93000 41.17000 98.05000 0.00000 0.00000 1.21000 6.20000 25.61000 0.00000 -3.93000 0.00000 -0.58000 0.00000 0.00000 66.00000