name Intraclash total energy Backbone Hbond 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 8.91086 -7.01000 -2.84000 -4.46000 -8.21000 -0.18000 9.58000 -9.13000 1.71000 4.50000 3.01000 0.00000 0.00000 0.00000 0.11000 0.37000 0.00000 -0.80000 0.00000 -0.29000 0.00000 2.38000 66.00000 SHO1_1QCF-13_2.PDB 9.38992 -6.32000 -3.37000 -4.98000 -8.09000 -0.19000 10.33000 -8.69000 1.62000 5.01000 3.17000 0.00000 0.00000 0.00000 0.13000 0.38000 0.00000 -0.96000 0.00000 -0.30000 0.00000 2.38000 66.00000 SHO1_1QCF-13_3.PDB 8.98224 -6.79000 -4.36000 -6.04000 -8.85000 -0.72000 11.94000 -9.30000 2.01000 6.00000 3.83000 0.00000 0.00000 0.00000 0.13000 0.41000 0.00000 -0.67000 0.00000 -0.74000 0.00000 2.38000 66.00000 SHO1_1QCF-13_4.PDB 9.12150 -7.64000 -4.34000 -5.99000 -8.88000 -0.19000 12.06000 -9.38000 1.98000 5.54000 2.51000 0.00000 0.00000 0.00000 0.20000 0.42000 0.00000 -0.91000 0.00000 -0.24000 0.00000 2.38000 66.00000 SHO1_1QCF-13_5.PDB 8.58130 -6.04000 -2.85000 -3.98000 -8.23000 -0.16000 10.17000 -8.90000 1.55000 4.39000 3.06000 0.00000 0.00000 0.00000 0.07000 0.38000 0.00000 -0.90000 0.00000 -0.24000 0.00000 2.38000 66.00000 SHO1_1QCF-13_6.PDB 8.99749 -6.40000 -4.10000 -5.70000 -8.86000 -0.69000 11.92000 -9.26000 2.19000 5.98000 3.40000 0.00000 0.00000 0.00000 0.18000 0.41000 0.00000 -0.75000 0.00000 -0.71000 0.00000 2.38000 66.00000 SHO1_1QCF-13_7.PDB 8.83785 -6.97000 -2.41000 -4.07000 -8.64000 -0.24000 9.71000 -10.14000 2.33000 4.82000 2.37000 0.00000 0.00000 0.00000 0.14000 0.39000 0.00000 -0.54000 0.00000 -0.31000 0.00000 2.38000 66.00000 SHO1_1QCF-13_8.PDB 9.49155 -7.48000 -3.99000 -5.67000 -9.22000 0.07000 12.01000 -10.13000 2.13000 5.78000 2.21000 0.00000 0.00000 0.00000 0.23000 0.45000 0.00000 -0.82000 0.00000 -0.07000 0.00000 2.38000 66.00000 SHO1_1QCF-13_9.PDB 10.65221 -8.51000 -4.31000 -5.99000 -8.86000 -0.26000 11.67000 -9.69000 2.02000 5.59000 2.33000 0.00000 0.00000 0.00000 0.20000 0.42000 0.00000 -0.92000 0.00000 -0.28000 0.00000 2.38000 66.00000 SHO1_1QCF-13_10.PDB 9.25764 -7.34000 -3.99000 -5.69000 -9.24000 -0.75000 11.80000 -10.15000 2.66000 6.14000 3.02000 0.00000 0.00000 0.00000 0.19000 0.42000 0.00000 -0.61000 0.00000 -0.72000 0.00000 2.38000 66.00000 SHO1_1QCF-13_11.PDB 8.98481 -6.88000 -2.85000 -4.50000 -8.32000 -0.23000 10.03000 -9.38000 1.81000 4.42000 2.97000 0.00000 0.00000 0.00000 0.15000 0.40000 0.00000 -0.68000 0.00000 -0.29000 0.00000 2.38000 66.00000 SHO1_1QCF-13_12.PDB 9.37494 -7.00000 -4.13000 -5.83000 -9.06000 -0.72000 11.86000 -9.84000 2.33000 6.05000 3.44000 0.00000 0.00000 0.00000 0.26000 0.43000 0.00000 -0.60000 0.00000 -0.74000 0.00000 2.38000 66.00000 SHO1_1QCF-13_13.PDB 8.91272 -7.74000 -4.33000 -5.99000 -8.95000 -0.13000 11.56000 -9.60000 2.26000 5.68000 2.60000 0.00000 0.00000 0.00000 0.16000 0.42000 0.00000 -0.86000 0.00000 -0.13000 0.00000 2.38000 66.00000 SHO1_1QCF-13_14.PDB 8.76564 -5.59000 -2.90000 -2.83000 -7.73000 -0.04000 9.18000 -8.49000 1.48000 3.65000 2.93000 0.00000 0.00000 0.00000 0.12000 0.45000 0.00000 -0.92000 0.00000 -0.03000 0.00000 2.38000 66.00000 SHO1_1QCF-13_15.PDB 9.10418 -7.55000 -4.17000 -5.83000 -8.57000 -0.58000 10.98000 -9.06000 1.77000 5.75000 3.10000 0.00000 0.00000 0.00000 0.14000 0.42000 0.00000 -0.59000 0.00000 -0.49000 0.00000 2.38000 66.00000 SHO1_1QCF-13_16.PDB 8.96166 -8.41000 -4.16000 -5.82000 -8.62000 -0.09000 11.12000 -9.25000 1.58000 5.40000 2.33000 0.00000 0.00000 0.00000 0.19000 0.45000 0.00000 -1.03000 0.00000 -0.07000 0.00000 2.38000 66.00000 SHO1_1QCF-13_17.PDB 8.84697 -7.02000 -2.87000 -5.12000 -7.94000 -0.02000 9.23000 -8.88000 1.53000 4.75000 2.87000 0.00000 0.00000 0.00000 0.18000 0.39000 0.00000 -0.75000 0.00000 -0.00000 0.00000 2.38000 66.00000 SHO1_1QCF-13_18.PDB 8.97302 -7.06000 -4.18000 -5.75000 -8.76000 -0.02000 11.73000 -9.22000 1.67000 5.46000 2.79000 0.00000 0.00000 0.00000 0.20000 0.42000 0.00000 -0.84000 0.00000 -0.13000 0.00000 2.38000 66.00000 SHO1_1QCF-13_19.PDB 9.07974 -7.61000 -4.26000 -5.94000 -8.94000 -0.67000 11.73000 -9.35000 2.00000 6.08000 2.83000 0.00000 0.00000 0.00000 0.17000 0.40000 0.00000 -0.67000 0.00000 -0.58000 0.00000 2.38000 66.00000 SHO1_1QCF-13_20.PDB 8.98150 -5.51000 -3.62000 -5.27000 -8.30000 -0.04000 10.44000 -8.89000 1.97000 5.37000 3.53000 0.00000 0.00000 0.00000 0.09000 0.36000 0.00000 -0.70000 0.00000 -0.10000 0.00000 2.38000 66.00000 SHO1_1QCF-13_21.PDB 9.03974 -7.79000 -2.43000 -4.08000 -8.72000 -0.07000 9.74000 -10.18000 2.08000 4.69000 1.76000 0.00000 0.00000 0.00000 0.19000 0.38000 0.00000 -0.70000 0.00000 -0.07000 0.00000 2.38000 66.00000 SHO1_1QCF-13_22.PDB 8.81777 -6.86000 -4.19000 -4.15000 -8.59000 -0.23000 11.12000 -9.13000 2.43000 5.00000 1.85000 0.00000 0.00000 0.00000 0.18000 0.47000 0.00000 -0.88000 0.00000 -0.28000 0.00000 2.38000 66.00000 SHO1_1QCF-13_23.PDB 9.01994 -6.47000 -4.07000 -6.31000 -8.74000 -0.46000 11.95000 -9.15000 2.34000 5.98000 3.11000 0.00000 0.00000 0.00000 0.14000 0.42000 0.00000 -0.77000 0.00000 -0.49000 0.00000 2.38000 66.00000 SHO1_1QCF-13_24.PDB 8.98186 -7.42000 -4.15000 -6.37000 -8.64000 -0.09000 11.78000 -9.05000 1.70000 5.80000 2.32000 0.00000 0.00000 0.00000 0.17000 0.43000 0.00000 -0.80000 0.00000 -0.08000 0.00000 2.38000 66.00000 SHO1_1QCF-13_25.PDB 9.08060 -7.68000 -4.10000 -5.75000 -9.11000 0.04000 11.47000 -10.14000 1.87000 5.74000 3.07000 0.00000 0.00000 0.00000 0.18000 0.41000 0.00000 -0.84000 0.00000 -0.11000 0.00000 2.38000 66.00000 SHO1_1QCF-13_26.PDB 8.74009 -5.63000 -3.36000 -5.00000 -8.34000 0.01000 10.48000 -8.96000 1.97000 5.12000 3.13000 0.00000 0.00000 0.00000 0.14000 0.38000 0.00000 -0.76000 0.00000 -0.06000 0.00000 2.38000 66.00000 SHO1_1QCF-13_27.PDB 9.22958 -5.64000 -4.04000 -5.68000 -8.53000 -0.12000 11.79000 -9.05000 1.51000 5.95000 3.41000 0.00000 0.00000 0.00000 0.29000 0.43000 0.00000 -0.89000 0.00000 -0.28000 0.00000 2.38000 66.00000 SHO1_1QCF-13_28.PDB 8.88712 -6.74000 -4.15000 -5.82000 -8.61000 -0.71000 11.54000 -9.10000 1.65000 5.89000 3.76000 0.00000 0.00000 0.00000 0.15000 0.43000 0.00000 -0.67000 0.00000 -0.67000 0.00000 2.38000 66.00000 SHO1_1QCF-13_29.PDB 8.37548 -7.24000 -4.18000 -4.13000 -9.15000 -0.24000 10.93000 -10.21000 3.23000 5.42000 2.11000 0.00000 0.00000 0.00000 0.09000 0.39000 0.00000 -0.83000 0.00000 -0.28000 0.00000 2.38000 66.00000 SHO1_1QCF-13_30.PDB 9.06078 -6.98000 -4.02000 -6.24000 -8.51000 -0.61000 11.77000 -8.76000 1.88000 5.75000 2.84000 0.00000 0.00000 0.00000 0.19000 0.39000 0.00000 -0.70000 0.00000 -0.58000 0.00000 2.38000 66.00000