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-8_1.PDB 30.61000 -42.30000 -20.45000 -69.47000 -1.18000 91.54000 -87.14000 17.39000 39.64000 98.01000 0.00000 0.00000 1.23000 7.56000 24.84000 0.00000 -3.13000 0.00000 -1.10000 0.00000 0.00000 66.00000 SHO1_1QCF-8_2.PDB 30.25000 -42.09000 -19.16000 -69.27000 -0.67000 90.30000 -87.32000 17.92000 39.14000 96.98000 0.00000 0.00000 1.22000 7.43000 24.86000 0.00000 -3.30000 0.00000 -0.91000 0.00000 0.00000 66.00000 SHO1_1QCF-8_3.PDB 29.52000 -40.80000 -18.90000 -68.66000 -0.99000 89.68000 -86.37000 16.28000 38.83000 96.63000 0.00000 0.00000 1.21000 7.12000 24.74000 0.00000 -3.43000 0.00000 -1.07000 0.00000 0.00000 66.00000 SHO1_1QCF-8_4.PDB 31.35000 -41.55000 -19.41000 -69.09000 -0.29000 89.98000 -87.16000 17.71000 38.70000 97.78000 0.00000 0.00000 1.21000 7.27000 24.84000 0.00000 -3.06000 0.00000 -0.76000 0.00000 0.00000 66.00000 SHO1_1QCF-8_5.PDB 33.04000 -42.42000 -18.71000 -70.02000 -0.68000 92.13000 -87.64000 18.38000 39.43000 98.25000 0.00000 0.00000 1.24000 7.38000 24.95000 0.00000 -3.41000 0.00000 -0.89000 0.00000 0.00000 66.00000 SHO1_1QCF-8_6.PDB 31.54000 -41.67000 -19.65000 -68.41000 -0.61000 90.33000 -85.75000 16.08000 39.04000 98.07000 0.00000 0.00000 1.21000 7.00000 24.90000 0.00000 -3.17000 0.00000 -0.95000 0.00000 0.00000 66.00000 SHO1_1QCF-8_7.PDB 30.80000 -41.73000 -18.74000 -68.77000 -1.30000 90.10000 -86.29000 17.20000 39.22000 97.36000 0.00000 0.00000 1.21000 7.42000 24.81000 0.00000 -3.59000 0.00000 -1.30000 0.00000 0.00000 66.00000 SHO1_1QCF-8_8.PDB 30.28000 -41.35000 -18.37000 -69.26000 -0.31000 90.42000 -87.33000 15.98000 38.83000 97.18000 0.00000 0.00000 1.20000 7.68000 24.76000 0.00000 -3.38000 0.00000 -1.02000 0.00000 0.00000 66.00000 SHO1_1QCF-8_9.PDB 30.08000 -41.44000 -20.86000 -69.14000 -0.59000 90.51000 -87.09000 17.08000 39.74000 97.45000 0.00000 0.00000 1.21000 7.38000 24.87000 0.00000 -3.24000 0.00000 -0.93000 0.00000 0.00000 66.00000 SHO1_1QCF-8_10.PDB 29.59000 -40.78000 -18.83000 -70.89000 -2.57000 92.48000 -88.47000 17.45000 39.80000 96.64000 0.00000 0.00000 1.21000 8.28000 24.98000 0.00000 -3.07000 0.00000 -1.67000 0.00000 0.00000 66.00000 SHO1_1QCF-8_11.PDB 30.16000 -41.42000 -21.07000 -68.77000 -0.54000 90.11000 -86.65000 17.76000 39.57000 97.07000 0.00000 0.00000 1.21000 7.09000 24.79000 0.00000 -3.09000 0.00000 -1.09000 0.00000 0.00000 66.00000 SHO1_1QCF-8_12.PDB 29.24000 -42.07000 -18.28000 -69.07000 -1.33000 90.51000 -86.80000 16.94000 39.09000 96.89000 0.00000 0.00000 1.21000 7.36000 24.85000 0.00000 -3.78000 0.00000 -1.43000 0.00000 0.00000 66.00000 SHO1_1QCF-8_13.PDB 31.77000 -42.38000 -20.05000 -68.60000 -0.93000 90.47000 -86.19000 17.51000 39.33000 98.32000 0.00000 0.00000 1.21000 7.16000 24.84000 0.00000 -3.25000 0.00000 -0.84000 0.00000 0.00000 66.00000 SHO1_1QCF-8_14.PDB 31.93000 -42.30000 -20.12000 -68.58000 -0.53000 90.61000 -85.98000 17.17000 39.14000 97.93000 0.00000 0.00000 1.21000 7.48000 24.85000 0.00000 -3.56000 0.00000 -0.53000 0.00000 0.00000 66.00000 SHO1_1QCF-8_15.PDB 30.09000 -42.04000 -18.35000 -70.71000 -2.29000 92.63000 -88.26000 17.43000 39.90000 97.60000 0.00000 0.00000 1.21000 7.93000 25.05000 0.00000 -3.30000 0.00000 -1.66000 0.00000 0.00000 66.00000 SHO1_1QCF-8_16.PDB 31.39000 -41.48000 -19.39000 -69.30000 -0.18000 90.88000 -87.21000 16.93000 38.85000 98.01000 0.00000 0.00000 1.21000 7.30000 24.90000 0.00000 -3.17000 0.00000 -1.06000 0.00000 0.00000 66.00000 SHO1_1QCF-8_17.PDB 32.07000 -41.45000 -19.43000 -68.72000 -0.12000 89.97000 -86.51000 17.54000 38.70000 97.22000 0.00000 0.00000 1.23000 7.49000 24.85000 0.00000 -3.33000 0.00000 -0.51000 0.00000 0.00000 66.00000 SHO1_1QCF-8_18.PDB 31.96000 -42.20000 -20.06000 -69.08000 -0.66000 91.36000 -86.64000 17.10000 39.35000 98.89000 0.00000 0.00000 1.21000 7.24000 24.83000 0.00000 -3.37000 0.00000 -1.19000 0.00000 0.00000 66.00000 SHO1_1QCF-8_19.PDB 30.95000 -41.96000 -18.95000 -69.21000 -0.85000 90.96000 -86.94000 16.90000 39.14000 97.63000 0.00000 0.00000 1.24000 7.36000 24.87000 0.00000 -3.26000 0.00000 -1.13000 0.00000 0.00000 66.00000 SHO1_1QCF-8_20.PDB 31.02000 -41.48000 -19.31000 -69.59000 -1.01000 90.99000 -87.61000 17.63000 39.22000 97.70000 0.00000 0.00000 1.24000 7.59000 24.92000 0.00000 -3.30000 0.00000 -1.06000 0.00000 0.00000 66.00000 SHO1_1QCF-8_21.PDB 31.21000 -41.29000 -19.54000 -70.72000 -3.11000 93.48000 -87.74000 18.75000 40.49000 97.12000 0.00000 0.00000 1.21000 7.93000 24.93000 0.00000 -3.23000 0.00000 -2.16000 0.00000 0.00000 66.00000 SHO1_1QCF-8_22.PDB 30.60000 -41.47000 -19.40000 -69.10000 -0.75000 90.31000 -87.09000 17.01000 38.91000 97.65000 0.00000 0.00000 1.21000 7.33000 24.89000 0.00000 -3.14000 0.00000 -0.89000 0.00000 0.00000 66.00000 SHO1_1QCF-8_23.PDB 31.47000 -41.45000 -19.28000 -68.04000 -0.61000 89.73000 -85.40000 15.98000 38.58000 96.99000 0.00000 0.00000 1.21000 7.97000 24.77000 0.00000 -3.58000 0.00000 -0.63000 0.00000 0.00000 66.00000 SHO1_1QCF-8_24.PDB 30.26000 -41.45000 -19.12000 -70.46000 -2.18000 92.79000 -87.87000 17.15000 39.70000 96.89000 0.00000 0.00000 1.21000 8.09000 24.97000 0.00000 -2.96000 0.00000 -1.53000 0.00000 0.00000 66.00000 SHO1_1QCF-8_25.PDB 27.24000 -42.02000 -18.54000 -70.19000 -2.59000 92.79000 -87.29000 14.26000 39.64000 97.62000 0.00000 0.00000 1.23000 7.67000 24.91000 0.00000 -3.54000 0.00000 -1.80000 0.00000 0.00000 66.00000 SHO1_1QCF-8_26.PDB 30.61000 -41.45000 -20.93000 -68.75000 -0.47000 90.34000 -86.60000 17.56000 39.52000 97.81000 0.00000 0.00000 1.21000 7.14000 24.86000 0.00000 -3.65000 0.00000 -1.12000 0.00000 0.00000 66.00000 SHO1_1QCF-8_27.PDB 30.05000 -41.46000 -18.52000 -68.73000 -0.93000 90.61000 -86.25000 16.10000 38.57000 97.40000 0.00000 0.00000 1.21000 7.05000 24.86000 0.00000 -3.68000 0.00000 -1.32000 0.00000 0.00000 66.00000 SHO1_1QCF-8_28.PDB 33.60000 -41.68000 -19.84000 -68.40000 -0.46000 89.75000 -85.90000 18.23000 39.11000 98.79000 0.00000 0.00000 1.21000 7.14000 24.77000 0.00000 -3.69000 0.00000 -0.66000 0.00000 0.00000 66.00000 SHO1_1QCF-8_29.PDB 32.22000 -41.47000 -21.24000 -68.90000 0.16000 90.36000 -86.66000 17.33000 39.47000 97.94000 0.00000 0.00000 1.23000 7.73000 24.92000 0.00000 -3.34000 0.00000 -0.39000 0.00000 0.00000 66.00000 SHO1_1QCF-8_30.PDB 31.86000 -41.60000 -19.54000 -71.17000 -2.39000 93.53000 -88.54000 18.10000 40.59000 98.49000 0.00000 0.00000 1.21000 7.53000 24.89000 0.00000 -2.90000 0.00000 -1.46000 0.00000 0.00000 66.00000