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-23_1.PDB 9.56922 -7.56000 -0.79000 -3.50000 -6.44000 -2.39000 7.64000 -7.62000 1.50000 3.99000 3.10000 0.00000 0.00000 0.00000 0.04000 0.07000 0.00000 -0.91000 0.00000 -2.19000 0.00000 2.38000 65.00000 SHO1_1QCF-23_2.PDB 7.30962 -5.66000 -0.84000 -3.22000 -7.07000 -2.06000 7.75000 -8.51000 3.02000 4.40000 2.87000 0.00000 0.00000 0.00000 0.06000 0.20000 0.00000 -0.28000 0.00000 -1.78000 0.00000 2.38000 65.00000 SHO1_1QCF-23_3.PDB 10.55200 -8.05000 -0.85000 -2.45000 -6.44000 -1.62000 6.60000 -7.83000 1.42000 3.45000 2.85000 0.00000 0.00000 0.00000 0.03000 0.09000 0.00000 -1.34000 0.00000 -1.86000 0.00000 2.38000 65.00000 SHO1_1QCF-23_4.PDB 4.01393 -5.13000 -0.80000 -2.95000 -6.38000 -2.06000 7.09000 -7.52000 3.16000 4.39000 2.77000 0.00000 0.00000 0.00000 0.05000 0.10000 0.00000 -0.69000 0.00000 -2.19000 0.00000 2.38000 65.00000 SHO1_1QCF-23_5.PDB 8.95945 -4.98000 -0.85000 -3.20000 -6.43000 -1.39000 6.98000 -7.45000 2.89000 3.76000 2.87000 0.00000 0.00000 0.00000 0.03000 0.08000 0.00000 -0.61000 0.00000 -1.59000 0.00000 2.38000 65.00000 SHO1_1QCF-23_6.PDB 9.97671 -6.87000 -0.98000 -1.73000 -6.18000 -1.49000 5.47000 -8.29000 1.51000 3.75000 2.99000 0.00000 0.00000 0.00000 0.08000 0.18000 0.00000 -0.39000 0.00000 -1.63000 0.00000 2.38000 65.00000 SHO1_1QCF-23_7.PDB 5.13911 -5.82000 -0.86000 -2.60000 -5.93000 -1.82000 6.70000 -7.07000 2.75000 3.22000 2.66000 0.00000 0.00000 0.00000 0.04000 0.05000 0.00000 -0.89000 0.00000 -2.00000 0.00000 2.38000 65.00000 SHO1_1QCF-23_8.PDB 5.53218 -8.32000 -0.82000 -2.87000 -5.68000 -2.00000 6.53000 -6.70000 0.44000 3.15000 2.69000 0.00000 0.00000 0.00000 0.05000 0.08000 0.00000 -0.93000 0.00000 -2.18000 0.00000 2.38000 65.00000 SHO1_1QCF-23_9.PDB 5.50777 -7.84000 -0.93000 -1.78000 -6.54000 -1.88000 6.24000 -8.17000 0.57000 3.90000 3.30000 0.00000 0.00000 0.00000 0.02000 0.24000 0.00000 -0.54000 0.00000 -2.02000 0.00000 2.38000 65.00000 SHO1_1QCF-23_10.PDB 7.93619 -5.71000 -0.74000 -1.96000 -7.29000 -2.49000 8.78000 -8.62000 1.35000 5.37000 2.87000 0.00000 0.00000 0.00000 0.03000 0.38000 0.00000 -0.52000 0.00000 -2.48000 0.00000 2.38000 65.00000 SHO1_1QCF-23_11.PDB 4.53606 -7.01000 -0.75000 -1.63000 -6.40000 -2.29000 7.02000 -7.59000 0.48000 3.91000 2.99000 0.00000 0.00000 0.00000 0.06000 0.11000 0.00000 -0.65000 0.00000 -2.14000 0.00000 2.38000 65.00000 SHO1_1QCF-23_12.PDB 9.23616 -5.75000 -0.94000 -4.22000 -7.02000 -1.35000 7.63000 -8.27000 2.60000 4.51000 2.79000 0.00000 0.00000 0.00000 0.04000 0.19000 0.00000 -0.43000 0.00000 -1.09000 0.00000 2.38000 65.00000 SHO1_1QCF-23_13.PDB 4.60146 -6.39000 -0.95000 -2.45000 -5.80000 -2.03000 6.78000 -6.65000 1.86000 3.31000 2.56000 0.00000 0.00000 0.00000 0.04000 0.08000 0.00000 -0.89000 0.00000 -2.18000 0.00000 2.38000 65.00000 SHO1_1QCF-23_14.PDB 9.22895 -6.35000 -0.94000 -3.41000 -6.55000 -1.30000 7.02000 -7.64000 2.75000 4.06000 2.30000 0.00000 0.00000 0.00000 0.03000 0.07000 0.00000 -1.24000 0.00000 -1.43000 0.00000 2.38000 65.00000 SHO1_1QCF-23_15.PDB 9.44350 -4.56000 -0.80000 -4.14000 -6.69000 -1.41000 7.78000 -7.65000 3.34000 4.54000 3.04000 0.00000 0.00000 0.00000 0.06000 0.07000 0.00000 -1.10000 0.00000 -1.54000 0.00000 2.38000 65.00000 SHO1_1QCF-23_16.PDB 5.14477 -7.93000 -0.80000 -3.24000 -6.09000 -1.90000 7.11000 -7.33000 0.51000 3.30000 2.87000 0.00000 0.00000 0.00000 0.03000 0.05000 0.00000 -0.71000 0.00000 -1.67000 0.00000 2.38000 65.00000 SHO1_1QCF-23_17.PDB 5.90331 -9.43000 -0.95000 -1.67000 -7.15000 -1.51000 5.65000 -9.88000 0.57000 4.26000 3.23000 0.00000 0.00000 0.00000 0.03000 0.40000 0.00000 -0.36000 0.00000 -1.64000 0.00000 2.38000 65.00000 SHO1_1QCF-23_18.PDB 5.16477 -6.11000 -0.89000 -3.08000 -6.76000 -2.10000 7.22000 -8.15000 3.11000 4.14000 3.23000 0.00000 0.00000 0.00000 0.05000 0.17000 0.00000 -0.64000 0.00000 -2.25000 0.00000 2.38000 65.00000 SHO1_1QCF-23_19.PDB 4.20167 -4.63000 -0.91000 -1.68000 -6.20000 -1.48000 6.01000 -7.97000 3.91000 3.51000 2.20000 0.00000 0.00000 0.00000 0.04000 0.06000 0.00000 -0.44000 0.00000 -1.63000 0.00000 2.38000 65.00000 SHO1_1QCF-23_20.PDB 4.44955 -7.14000 -0.97000 -1.69000 -6.30000 -1.45000 5.22000 -8.50000 2.60000 3.84000 2.56000 0.00000 0.00000 0.00000 0.03000 0.23000 0.00000 -0.71000 0.00000 -1.78000 0.00000 2.38000 65.00000 SHO1_1QCF-23_21.PDB 9.43641 -5.00000 -0.82000 -2.39000 -5.57000 -1.91000 6.74000 -6.44000 2.46000 3.27000 2.40000 0.00000 0.00000 0.00000 0.03000 0.04000 0.00000 -0.59000 0.00000 -2.18000 0.00000 2.38000 65.00000 SHO1_1QCF-23_22.PDB 4.11243 -5.58000 -0.85000 -2.80000 -5.99000 -1.71000 6.36000 -7.22000 3.42000 3.29000 2.61000 0.00000 0.00000 0.00000 0.06000 0.07000 0.00000 -0.85000 0.00000 -1.90000 0.00000 2.38000 65.00000 SHO1_1QCF-23_23.PDB 3.68657 -4.50000 -0.77000 -2.91000 -6.25000 -1.86000 6.83000 -7.44000 3.78000 4.11000 2.82000 0.00000 0.00000 0.00000 0.06000 0.05000 0.00000 -0.86000 0.00000 -2.02000 0.00000 2.38000 65.00000 SHO1_1QCF-23_24.PDB 4.79148 -5.70000 -0.85000 -2.98000 -5.99000 -1.54000 6.46000 -7.25000 2.54000 3.66000 2.65000 0.00000 0.00000 0.00000 0.04000 0.07000 0.00000 -0.67000 0.00000 -1.76000 0.00000 2.38000 65.00000 SHO1_1QCF-23_25.PDB 9.44862 -5.38000 -0.85000 -2.49000 -5.91000 -1.89000 6.89000 -6.99000 2.75000 3.50000 2.68000 0.00000 0.00000 0.00000 0.03000 0.04000 0.00000 -0.94000 0.00000 -2.15000 0.00000 2.38000 65.00000 SHO1_1QCF-23_26.PDB 7.46221 -6.20000 -0.84000 -3.44000 -6.43000 -2.17000 6.48000 -8.07000 2.80000 5.71000 2.77000 0.00000 0.00000 0.00000 0.02000 0.16000 0.00000 -0.72000 0.00000 -2.33000 0.00000 2.38000 65.00000 SHO1_1QCF-23_27.PDB 4.12364 -5.48000 -0.92000 -1.75000 -6.66000 -1.90000 6.73000 -8.03000 2.86000 4.17000 2.31000 0.00000 0.00000 0.00000 0.04000 0.18000 0.00000 -0.36000 0.00000 -1.96000 0.00000 2.38000 65.00000 SHO1_1QCF-23_28.PDB 9.50209 -4.68000 -0.84000 -3.42000 -5.91000 -0.89000 6.38000 -6.93000 2.66000 3.21000 2.57000 0.00000 0.00000 0.00000 0.16000 0.11000 0.00000 -0.57000 0.00000 -1.08000 0.00000 2.38000 65.00000 SHO1_1QCF-23_29.PDB 12.73370 -7.89000 -0.94000 -2.51000 -6.67000 -0.88000 5.49000 -8.88000 0.84000 4.05000 2.76000 0.00000 0.00000 0.00000 0.04000 0.24000 0.00000 -0.20000 0.00000 -0.99000 0.00000 2.38000 65.00000 SHO1_1QCF-23_30.PDB 9.44899 -4.81000 -0.82000 -1.67000 -6.11000 -2.23000 6.91000 -7.12000 2.40000 4.21000 2.58000 0.00000 0.00000 0.00000 0.05000 0.04000 0.00000 -0.64000 0.00000 -2.36000 0.00000 2.38000 65.00000