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-12_1.PDB 5.02174 -9.55000 -0.13000 -0.00000 -5.24000 -2.12000 4.24000 -7.13000 1.21000 1.71000 0.82000 0.00000 0.00000 0.00000 0.07000 0.54000 0.00000 -0.61000 0.00000 -2.36000 0.00000 2.38000 66.00000 SHO1_1QCF-12_2.PDB 4.58431 -8.83000 -0.11000 -0.00000 -5.90000 -2.15000 5.59000 -7.46000 1.18000 2.05000 1.07000 0.00000 0.00000 0.00000 0.07000 0.61000 0.00000 -0.76000 0.00000 -2.40000 0.00000 2.38000 66.00000 SHO1_1QCF-12_3.PDB 4.81327 -9.89000 -0.15000 0.00000 -5.48000 -2.11000 4.58000 -7.31000 1.24000 1.82000 0.64000 0.00000 0.00000 0.00000 0.04000 0.47000 0.00000 -0.89000 0.00000 -2.27000 0.00000 2.38000 66.00000 SHO1_1QCF-12_4.PDB 9.30973 -8.29000 -0.11000 -0.00000 -5.85000 -2.08000 5.68000 -7.39000 1.26000 2.14000 1.12000 0.00000 0.00000 0.00000 0.06000 0.54000 0.00000 -0.82000 0.00000 -2.30000 0.00000 2.38000 66.00000 SHO1_1QCF-12_5.PDB 5.10775 -10.29000 -0.15000 -0.00000 -5.44000 -2.17000 4.63000 -7.27000 0.29000 1.98000 0.89000 0.00000 0.00000 0.00000 0.09000 0.58000 0.00000 -0.66000 0.00000 -2.47000 0.00000 2.38000 66.00000 SHO1_1QCF-12_6.PDB 5.18681 -8.59000 -0.14000 0.00000 -5.41000 -2.41000 4.82000 -7.41000 0.71000 3.08000 1.14000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.54000 0.00000 -2.48000 0.00000 2.38000 66.00000 SHO1_1QCF-12_7.PDB 4.71860 -9.72000 -0.15000 0.00000 -5.17000 -1.81000 4.02000 -7.11000 0.97000 1.68000 0.62000 0.00000 0.00000 0.00000 0.04000 0.41000 0.00000 -0.76000 0.00000 -2.04000 0.00000 2.38000 66.00000 SHO1_1QCF-12_8.PDB 9.75588 -8.91000 -0.14000 0.00000 -5.55000 -1.73000 4.77000 -7.33000 0.76000 1.93000 1.10000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -0.78000 0.00000 -2.01000 0.00000 2.38000 66.00000 SHO1_1QCF-12_9.PDB 4.86443 -8.90000 -0.15000 0.00000 -5.42000 -1.74000 4.36000 -7.31000 1.37000 1.70000 0.67000 0.00000 0.00000 0.00000 0.06000 0.42000 0.00000 -0.57000 0.00000 -1.88000 0.00000 2.38000 66.00000 SHO1_1QCF-12_10.PDB 10.05973 -9.26000 -0.14000 -1.64000 -6.81000 -2.95000 7.01000 -8.46000 0.44000 3.79000 1.82000 0.00000 0.00000 0.00000 0.38000 0.63000 0.00000 -0.64000 0.00000 -2.06000 0.00000 2.38000 66.00000 SHO1_1QCF-12_11.PDB 5.62966 -10.03000 -1.63000 -1.44000 -6.91000 -2.86000 7.80000 -8.24000 1.49000 3.83000 0.96000 0.00000 0.00000 0.00000 0.16000 0.59000 0.00000 -0.63000 0.00000 -2.54000 0.00000 2.38000 66.00000 SHO1_1QCF-12_12.PDB 4.80838 -8.64000 -0.15000 0.00000 -5.48000 -1.62000 4.39000 -7.47000 1.26000 1.91000 0.79000 0.00000 0.00000 0.00000 0.06000 0.48000 0.00000 -0.53000 0.00000 -1.82000 0.00000 2.38000 66.00000 SHO1_1QCF-12_13.PDB 8.47107 -11.30000 -1.78000 -1.63000 -6.49000 -3.23000 7.14000 -8.10000 0.65000 4.88000 0.75000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.76000 0.00000 -2.81000 0.00000 2.38000 66.00000 SHO1_1QCF-12_14.PDB 5.26258 -11.15000 -1.66000 -1.43000 -6.80000 -2.75000 7.69000 -7.95000 0.49000 3.94000 0.76000 0.00000 0.00000 0.00000 0.08000 0.52000 0.00000 -1.02000 0.00000 -2.49000 0.00000 2.38000 66.00000 SHO1_1QCF-12_15.PDB 4.72822 -8.97000 -0.15000 -0.00000 -5.29000 -1.48000 4.12000 -7.20000 1.05000 1.72000 0.50000 0.00000 0.00000 0.00000 0.02000 0.37000 0.00000 -0.58000 0.00000 -1.69000 0.00000 2.38000 66.00000 SHO1_1QCF-12_16.PDB 4.52169 -8.20000 -0.14000 0.00000 -5.64000 -1.49000 4.82000 -7.40000 0.99000 1.95000 0.81000 0.00000 0.00000 0.00000 0.05000 0.54000 0.00000 -0.47000 0.00000 -1.70000 0.00000 2.38000 66.00000 SHO1_1QCF-12_17.PDB 8.89690 -9.36000 -0.15000 -0.00000 -5.31000 -1.73000 4.33000 -7.19000 0.96000 1.85000 0.59000 0.00000 0.00000 0.00000 0.09000 0.49000 0.00000 -0.86000 0.00000 -1.94000 0.00000 2.38000 66.00000 SHO1_1QCF-12_18.PDB 4.95654 -9.40000 -0.15000 -0.00000 -5.53000 -1.46000 4.42000 -7.52000 0.25000 1.84000 0.68000 0.00000 0.00000 0.00000 0.07000 0.55000 0.00000 -0.31000 0.00000 -1.70000 0.00000 2.38000 66.00000 SHO1_1QCF-12_19.PDB 5.49403 -9.91000 -0.15000 0.00000 -5.36000 -2.07000 4.33000 -7.20000 1.10000 1.76000 0.63000 0.00000 0.00000 0.00000 0.05000 0.52000 0.00000 -0.70000 0.00000 -2.30000 0.00000 2.38000 66.00000 SHO1_1QCF-12_20.PDB 9.13303 -9.45000 -0.15000 -0.00000 -5.60000 -2.23000 4.70000 -7.49000 1.10000 2.26000 0.94000 0.00000 0.00000 0.00000 0.08000 0.63000 0.00000 -0.62000 0.00000 -2.44000 0.00000 2.38000 66.00000 SHO1_1QCF-12_21.PDB 4.70561 -9.13000 -0.16000 0.00000 -5.89000 -1.56000 4.59000 -7.97000 1.47000 1.87000 0.63000 0.00000 0.00000 0.00000 0.12000 0.66000 0.00000 -0.56000 0.00000 -1.69000 0.00000 2.38000 66.00000 SHO1_1QCF-12_22.PDB 5.45545 -9.08000 -0.13000 -0.78000 -5.65000 -2.30000 5.75000 -7.38000 0.60000 2.63000 1.12000 0.00000 0.00000 0.00000 0.07000 0.62000 0.00000 -0.62000 0.00000 -2.38000 0.00000 2.38000 66.00000 SHO1_1QCF-12_23.PDB 3.41041 -8.67000 -0.16000 0.00000 -5.77000 -1.65000 4.80000 -7.67000 1.21000 1.85000 0.65000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -0.32000 0.00000 -1.70000 0.00000 2.38000 66.00000 SHO1_1QCF-12_24.PDB 5.33944 -8.72000 -0.14000 0.00000 -5.55000 -2.13000 4.93000 -7.23000 1.13000 2.27000 0.97000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -0.75000 0.00000 -2.28000 0.00000 2.38000 66.00000 SHO1_1QCF-12_25.PDB 4.35399 -9.60000 -0.16000 0.00000 -6.41000 -1.48000 4.91000 -8.75000 0.69000 2.49000 0.90000 0.00000 0.00000 0.00000 0.17000 0.68000 0.00000 -0.36000 0.00000 -1.61000 0.00000 2.38000 66.00000 SHO1_1QCF-12_26.PDB 4.34121 -8.55000 -0.15000 0.00000 -6.43000 -1.59000 5.21000 -8.54000 1.37000 2.49000 0.96000 0.00000 0.00000 0.00000 0.21000 0.61000 0.00000 -0.50000 0.00000 -1.59000 0.00000 2.38000 66.00000 SHO1_1QCF-12_27.PDB 4.78550 -9.30000 -0.15000 0.00000 -5.38000 -2.07000 4.47000 -7.28000 1.00000 2.04000 0.88000 0.00000 0.00000 0.00000 0.10000 0.56000 0.00000 -0.60000 0.00000 -2.32000 0.00000 2.38000 66.00000 SHO1_1QCF-12_28.PDB 9.65616 -9.77000 -0.15000 -0.00000 -5.46000 -1.89000 4.53000 -7.40000 0.43000 2.16000 0.80000 0.00000 0.00000 0.00000 0.07000 0.53000 0.00000 -0.67000 0.00000 -2.21000 0.00000 2.38000 66.00000 SHO1_1QCF-12_29.PDB 7.93321 -10.90000 -0.17000 -1.97000 -7.61000 -3.51000 7.61000 -9.75000 0.80000 4.61000 1.67000 0.00000 0.00000 0.00000 0.45000 0.86000 0.00000 -0.70000 0.00000 -2.32000 0.00000 2.38000 66.00000 SHO1_1QCF-12_30.PDB 4.50557 -9.30000 -0.15000 0.00000 -6.46000 -1.59000 5.23000 -8.71000 1.16000 2.52000 0.58000 0.00000 0.00000 0.00000 0.19000 0.62000 0.00000 -0.48000 0.00000 -1.60000 0.00000 2.38000 66.00000