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-8_1.PDB 9.99978 -4.60000 -0.49000 -2.73000 -7.80000 -1.15000 8.37000 -9.77000 2.21000 4.08000 3.74000 0.00000 0.00000 0.00000 0.71000 0.16000 0.00000 -0.67000 0.00000 -1.10000 0.00000 2.38000 66.00000 SHO1_1QCF-8_2.PDB 5.85860 -4.97000 -0.53000 -1.52000 -7.54000 -0.85000 7.81000 -9.61000 2.21000 3.47000 2.38000 0.00000 0.00000 0.00000 0.64000 0.13000 0.00000 -0.52000 0.00000 -0.91000 0.00000 2.38000 66.00000 SHO1_1QCF-8_3.PDB 10.05355 -6.62000 -0.52000 -2.94000 -7.01000 -0.99000 7.55000 -8.98000 0.95000 4.32000 2.50000 0.00000 0.00000 0.00000 0.30000 0.11000 0.00000 -0.73000 0.00000 -1.07000 0.00000 2.38000 66.00000 SHO1_1QCF-8_4.PDB 10.20228 -5.18000 -0.58000 -2.78000 -7.28000 -0.57000 7.46000 -9.35000 2.04000 3.63000 2.99000 0.00000 0.00000 0.00000 0.58000 0.15000 0.00000 -0.57000 0.00000 -0.76000 0.00000 2.38000 66.00000 SHO1_1QCF-8_5.PDB 9.95006 -3.20000 -0.74000 -1.41000 -8.09000 -0.72000 8.88000 -9.99000 3.11000 3.73000 2.94000 0.00000 0.00000 0.00000 0.61000 0.11000 0.00000 -0.64000 0.00000 -0.89000 0.00000 2.38000 66.00000 SHO1_1QCF-8_6.PDB 9.38966 -4.22000 -0.50000 -2.87000 -6.98000 -0.68000 7.95000 -8.77000 1.42000 3.98000 3.37000 0.00000 0.00000 0.00000 0.24000 0.20000 0.00000 -0.45000 0.00000 -0.95000 0.00000 2.38000 66.00000 SHO1_1QCF-8_7.PDB 10.40081 -4.69000 -0.54000 -2.04000 -7.11000 -1.19000 7.65000 -9.03000 1.99000 4.13000 3.06000 0.00000 0.00000 0.00000 0.34000 0.13000 0.00000 -0.64000 0.00000 -1.30000 0.00000 2.38000 66.00000 SHO1_1QCF-8_8.PDB 4.78475 -5.20000 -0.51000 -2.69000 -7.36000 -0.79000 7.82000 -9.32000 2.36000 3.69000 2.56000 0.00000 0.00000 0.00000 0.67000 0.15000 0.00000 -0.60000 0.00000 -1.02000 0.00000 2.38000 66.00000 SHO1_1QCF-8_9.PDB 9.70312 -6.53000 -0.51000 -4.44000 -7.75000 -0.70000 8.15000 -9.89000 2.23000 4.79000 2.85000 0.00000 0.00000 0.00000 0.47000 0.20000 0.00000 -0.79000 0.00000 -0.93000 0.00000 2.38000 66.00000 SHO1_1QCF-8_10.PDB 10.18617 -6.75000 -0.51000 -2.81000 -9.04000 -2.72000 10.51000 -10.59000 2.68000 5.16000 2.34000 0.00000 0.00000 0.00000 0.90000 0.30000 0.00000 -1.00000 0.00000 -1.67000 0.00000 2.38000 66.00000 SHO1_1QCF-8_11.PDB 10.11132 -6.48000 -0.54000 -4.36000 -7.64000 -0.78000 8.13000 -9.72000 2.20000 4.81000 2.74000 0.00000 0.00000 0.00000 0.45000 0.15000 0.00000 -0.68000 0.00000 -1.09000 0.00000 2.38000 66.00000 SHO1_1QCF-8_12.PDB 9.58526 -5.75000 -0.54000 -1.03000 -7.63000 -1.34000 8.09000 -9.57000 2.12000 3.51000 2.38000 0.00000 0.00000 0.00000 0.50000 0.14000 0.00000 -0.83000 0.00000 -1.43000 0.00000 2.38000 66.00000 SHO1_1QCF-8_13.PDB 10.15676 -4.06000 -0.54000 -2.69000 -7.19000 -0.74000 7.79000 -9.03000 2.09000 3.80000 3.39000 0.00000 0.00000 0.00000 0.37000 0.16000 0.00000 -0.48000 0.00000 -0.84000 0.00000 2.38000 66.00000 SHO1_1QCF-8_14.PDB 5.17810 -3.09000 -0.51000 -2.79000 -7.09000 -0.38000 7.52000 -8.83000 2.30000 3.58000 3.65000 0.00000 0.00000 0.00000 0.61000 0.16000 0.00000 -0.61000 0.00000 -0.53000 0.00000 2.38000 66.00000 SHO1_1QCF-8_15.PDB 10.13344 -5.97000 -0.51000 -1.06000 -8.99000 -2.55000 10.29000 -10.48000 2.54000 4.14000 2.36000 0.00000 0.00000 0.00000 0.71000 0.34000 0.00000 -0.77000 0.00000 -1.66000 0.00000 2.38000 66.00000 SHO1_1QCF-8_16.PDB 9.44247 -4.90000 -0.50000 -2.66000 -7.63000 -0.76000 8.38000 -9.60000 2.30000 3.76000 2.82000 0.00000 0.00000 0.00000 0.60000 0.22000 0.00000 -0.53000 0.00000 -1.06000 0.00000 2.38000 66.00000 SHO1_1QCF-8_17.PDB 5.44997 -3.58000 -0.51000 -2.63000 -7.03000 -0.34000 7.52000 -8.78000 2.19000 3.60000 2.98000 0.00000 0.00000 0.00000 0.62000 0.15000 0.00000 -0.71000 0.00000 -0.51000 0.00000 2.38000 66.00000 SHO1_1QCF-8_18.PDB 9.38773 -4.42000 -0.50000 -2.69000 -7.55000 -0.97000 8.21000 -9.47000 2.33000 3.81000 3.59000 0.00000 0.00000 0.00000 0.57000 0.16000 0.00000 -0.55000 0.00000 -1.19000 0.00000 2.38000 66.00000 SHO1_1QCF-8_19.PDB 9.68873 -4.70000 -0.17000 -1.59000 -7.60000 -0.91000 7.88000 -9.61000 1.95000 3.61000 2.72000 0.00000 0.00000 0.00000 0.53000 0.16000 0.00000 -0.40000 0.00000 -1.13000 0.00000 2.38000 66.00000 SHO1_1QCF-8_20.PDB 9.94281 -5.23000 -0.51000 -2.61000 -7.81000 -1.12000 8.53000 -9.75000 2.34000 4.06000 2.71000 0.00000 0.00000 0.00000 0.70000 0.17000 0.00000 -0.70000 0.00000 -1.06000 0.00000 2.38000 66.00000 SHO1_1QCF-8_21.PDB 10.69358 -5.84000 -0.16000 -2.54000 -8.94000 -3.25000 10.76000 -10.29000 3.30000 5.44000 2.31000 0.00000 0.00000 0.00000 0.73000 0.25000 0.00000 -1.04000 0.00000 -2.16000 0.00000 2.38000 66.00000 SHO1_1QCF-8_22.PDB 9.77686 -5.59000 -0.51000 -2.75000 -7.73000 -0.70000 7.99000 -9.89000 1.99000 4.03000 2.91000 0.00000 0.00000 0.00000 0.44000 0.16000 0.00000 -0.47000 0.00000 -0.89000 0.00000 2.38000 66.00000 SHO1_1QCF-8_23.PDB 5.47417 -4.38000 -0.51000 -2.62000 -6.83000 -0.46000 7.44000 -8.47000 1.35000 3.63000 2.86000 0.00000 0.00000 0.00000 0.51000 0.15000 0.00000 -0.66000 0.00000 -0.63000 0.00000 2.38000 66.00000 SHO1_1QCF-8_24.PDB 10.03619 -6.17000 -0.51000 -2.56000 -8.72000 -2.36000 10.25000 -10.14000 2.53000 4.56000 2.24000 0.00000 0.00000 0.00000 0.67000 0.31000 0.00000 -0.61000 0.00000 -1.53000 0.00000 2.38000 66.00000 SHO1_1QCF-8_25.PDB 8.16115 -8.70000 -0.51000 -2.16000 -8.38000 -2.92000 9.69000 -9.74000 1.33000 3.88000 2.33000 0.00000 0.00000 0.00000 0.37000 0.23000 0.00000 -0.79000 0.00000 -1.80000 0.00000 2.38000 66.00000 SHO1_1QCF-8_26.PDB 10.11994 -6.39000 -0.51000 -4.32000 -7.45000 -0.80000 8.08000 -9.45000 2.13000 4.64000 2.80000 0.00000 0.00000 0.00000 0.39000 0.18000 0.00000 -0.78000 0.00000 -1.12000 0.00000 2.38000 66.00000 SHO1_1QCF-8_27.PDB 9.46667 -5.65000 -0.52000 -1.90000 -6.82000 -1.01000 7.39000 -8.61000 1.24000 3.29000 2.70000 0.00000 0.00000 0.00000 0.35000 0.16000 0.00000 -0.45000 0.00000 -1.32000 0.00000 2.38000 66.00000 SHO1_1QCF-8_28.PDB 5.77740 -2.29000 -0.51000 -2.86000 -6.88000 -0.52000 7.47000 -8.64000 2.50000 4.11000 3.87000 0.00000 0.00000 0.00000 0.55000 0.07000 0.00000 -0.72000 0.00000 -0.66000 0.00000 2.38000 66.00000 SHO1_1QCF-8_29.PDB 5.82745 -4.82000 -0.54000 -4.48000 -7.56000 -0.21000 8.14000 -9.37000 1.95000 4.49000 3.19000 0.00000 0.00000 0.00000 0.64000 0.21000 0.00000 -0.68000 0.00000 -0.39000 0.00000 2.38000 66.00000 SHO1_1QCF-8_30.PDB 9.76068 -4.23000 -0.50000 -2.69000 -8.71000 -2.25000 10.22000 -10.20000 3.28000 5.08000 3.11000 0.00000 0.00000 0.00000 0.58000 0.18000 0.00000 -0.69000 0.00000 -1.46000 0.00000 2.38000 66.00000