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_1QKX-8_1.PDB 8.41531 -7.68000 -0.69000 -1.38000 -9.53000 -1.90000 9.06000 -11.81000 2.13000 4.70000 3.39000 0.00000 0.00000 0.00000 0.71000 0.60000 0.00000 -0.56000 0.00000 -1.80000 0.00000 2.38000 65.00000 SHO1_1QKX-8_2.PDB 9.07775 -6.47000 -0.63000 -1.15000 -9.00000 -1.36000 7.98000 -11.79000 2.86000 4.65000 2.84000 0.00000 0.00000 0.00000 0.70000 0.39000 0.00000 -0.22000 0.00000 -1.34000 0.00000 2.38000 65.00000 SHO1_1QKX-8_3.PDB 8.88376 -6.34000 -0.62000 -0.54000 -8.35000 -1.12000 6.78000 -11.11000 2.90000 3.94000 2.88000 0.00000 0.00000 0.00000 0.73000 0.47000 0.00000 -0.41000 0.00000 -1.42000 0.00000 2.38000 65.00000 SHO1_1QKX-8_4.PDB 9.53610 -6.94000 -0.93000 -1.63000 -9.81000 -1.95000 9.32000 -12.14000 3.02000 4.75000 3.59000 0.00000 0.00000 0.00000 0.97000 0.59000 0.00000 -0.76000 0.00000 -1.37000 0.00000 2.38000 65.00000 SHO1_1QKX-8_5.PDB 8.95783 -5.68000 -0.63000 -0.54000 -8.93000 -1.03000 7.58000 -11.68000 2.84000 4.34000 3.44000 0.00000 0.00000 0.00000 0.65000 0.39000 0.00000 -0.35000 0.00000 -1.38000 0.00000 2.38000 65.00000 SHO1_1QKX-8_6.PDB 9.46590 -6.22000 -0.96000 -0.85000 -9.64000 -0.97000 8.47000 -12.74000 2.92000 4.65000 3.47000 0.00000 0.00000 0.00000 0.83000 0.91000 0.00000 -0.25000 0.00000 -1.15000 0.00000 2.38000 65.00000 SHO1_1QKX-8_7.PDB 9.03082 -5.57000 -0.62000 -0.54000 -8.62000 -0.94000 7.28000 -11.35000 2.80000 4.01000 3.14000 0.00000 0.00000 0.00000 0.77000 0.49000 0.00000 -0.35000 0.00000 -1.16000 0.00000 2.38000 65.00000 SHO1_1QKX-8_8.PDB 8.64335 -6.80000 -0.67000 -0.69000 -9.70000 -0.93000 9.01000 -12.25000 1.98000 4.13000 3.15000 0.00000 0.00000 0.00000 0.67000 0.58000 0.00000 -0.46000 0.00000 -1.02000 0.00000 2.38000 65.00000 SHO1_1QKX-8_9.PDB 9.48731 -6.96000 -0.94000 -0.92000 -8.60000 -1.55000 8.06000 -11.25000 2.60000 4.04000 2.84000 0.00000 0.00000 0.00000 0.62000 0.35000 0.00000 -0.43000 0.00000 -1.42000 0.00000 2.38000 65.00000 SHO1_1QKX-8_10.PDB 9.74465 -7.19000 -0.93000 -0.82000 -9.12000 -1.73000 8.36000 -12.14000 2.48000 4.83000 2.86000 0.00000 0.00000 0.00000 0.79000 0.89000 0.00000 -0.16000 0.00000 -1.60000 0.00000 2.38000 65.00000 SHO1_1QKX-8_11.PDB 8.73512 -7.11000 -0.68000 -1.20000 -8.68000 -1.93000 7.53000 -11.25000 2.91000 4.74000 3.05000 0.00000 0.00000 0.00000 0.68000 0.38000 0.00000 -0.56000 0.00000 -1.72000 0.00000 2.38000 65.00000 SHO1_1QKX-8_12.PDB 9.13367 -6.10000 -0.95000 -0.86000 -9.46000 -0.81000 7.99000 -12.26000 2.90000 4.63000 3.34000 0.00000 0.00000 0.00000 0.84000 0.53000 0.00000 -0.38000 0.00000 -1.09000 0.00000 2.38000 65.00000 SHO1_1QKX-8_13.PDB 8.75665 -5.72000 -0.89000 -0.80000 -8.55000 -1.25000 7.32000 -11.17000 3.10000 4.75000 3.25000 0.00000 0.00000 0.00000 0.44000 0.43000 0.00000 -0.41000 0.00000 -1.50000 0.00000 2.38000 65.00000 SHO1_1QKX-8_14.PDB 9.41039 -8.00000 -1.05000 -1.69000 -10.21000 -2.37000 9.75000 -12.96000 2.78000 5.21000 3.92000 0.00000 0.00000 0.00000 0.90000 1.00000 0.00000 -0.51000 0.00000 -1.77000 0.00000 2.38000 65.00000 SHO1_1QKX-8_15.PDB 9.49545 -6.41000 -1.56000 -1.85000 -8.85000 -1.56000 9.04000 -11.22000 2.90000 4.59000 3.10000 0.00000 0.00000 0.00000 0.63000 0.36000 0.00000 -0.10000 0.00000 -1.52000 0.00000 2.38000 65.00000 SHO1_1QKX-8_16.PDB 9.20673 -6.23000 -0.56000 -0.49000 -9.06000 -2.42000 8.38000 -11.73000 2.87000 4.78000 3.09000 0.00000 0.00000 0.00000 0.64000 0.53000 0.00000 -0.28000 0.00000 -1.46000 0.00000 2.38000 65.00000 SHO1_1QKX-8_17.PDB 9.32491 -7.13000 -0.65000 -0.64000 -9.89000 -1.35000 8.85000 -13.19000 2.54000 4.61000 3.39000 0.00000 0.00000 0.00000 0.91000 0.93000 0.00000 -0.50000 0.00000 -1.22000 0.00000 2.38000 65.00000 SHO1_1QKX-8_18.PDB 8.97502 -7.79000 -0.74000 -0.61000 -9.44000 -2.27000 9.66000 -11.61000 2.50000 3.87000 2.48000 0.00000 0.00000 0.00000 0.60000 0.51000 0.00000 -0.58000 0.00000 -1.63000 0.00000 2.38000 65.00000 SHO1_1QKX-8_19.PDB 9.53221 -7.51000 -0.71000 -0.61000 -8.70000 -1.16000 7.06000 -11.78000 2.33000 4.21000 3.04000 0.00000 0.00000 0.00000 0.71000 0.89000 0.00000 -0.38000 0.00000 -1.51000 0.00000 2.38000 65.00000 SHO1_1QKX-8_20.PDB 9.70613 -5.13000 -0.89000 -0.80000 -8.86000 -1.02000 7.66000 -11.49000 2.94000 4.63000 3.44000 0.00000 0.00000 0.00000 0.75000 0.54000 0.00000 -0.12000 0.00000 -1.35000 0.00000 2.38000 65.00000 SHO1_1QKX-8_21.PDB 9.46850 -6.25000 -0.66000 -0.56000 -8.20000 -1.33000 7.06000 -10.79000 3.09000 3.59000 2.90000 0.00000 0.00000 0.00000 0.56000 0.52000 0.00000 -0.22000 0.00000 -1.67000 0.00000 2.38000 65.00000 SHO1_1QKX-8_22.PDB 10.18722 -7.21000 -0.64000 -1.24000 -8.20000 -1.34000 7.52000 -11.00000 2.52000 3.91000 2.40000 0.00000 0.00000 0.00000 0.59000 0.29000 0.00000 -0.41000 0.00000 -1.32000 0.00000 2.38000 65.00000 SHO1_1QKX-8_23.PDB 8.78777 -7.67000 -0.78000 -1.69000 -10.82000 -2.29000 11.37000 -12.85000 2.31000 4.28000 3.84000 0.00000 0.00000 0.00000 0.68000 0.73000 0.00000 -0.26000 0.00000 -1.48000 0.00000 2.38000 65.00000 SHO1_1QKX-8_24.PDB 8.65028 -6.58000 -0.97000 -1.27000 -8.88000 -1.50000 8.97000 -11.30000 1.92000 4.67000 2.82000 0.00000 0.00000 0.00000 0.61000 0.36000 0.00000 -0.08000 0.00000 -1.59000 0.00000 2.38000 65.00000 SHO1_1QKX-8_25.PDB 9.27260 -6.72000 -0.97000 -0.87000 -9.46000 -2.03000 8.17000 -12.52000 2.67000 5.60000 3.62000 0.00000 0.00000 0.00000 0.66000 0.99000 0.00000 -0.28000 0.00000 -1.32000 0.00000 2.38000 65.00000 SHO1_1QKX-8_26.PDB 8.68472 -7.30000 -0.91000 -0.80000 -9.15000 -1.35000 8.25000 -12.26000 2.50000 4.72000 2.57000 0.00000 0.00000 0.00000 0.74000 0.89000 0.00000 -0.37000 0.00000 -1.26000 0.00000 2.38000 65.00000 SHO1_1QKX-8_27.PDB 8.91686 -6.03000 -0.74000 -2.50000 -8.89000 -0.97000 8.75000 -11.15000 3.47000 3.61000 3.30000 0.00000 0.00000 0.00000 0.74000 0.58000 0.00000 -0.44000 0.00000 -1.22000 0.00000 2.38000 65.00000 SHO1_1QKX-8_28.PDB 8.72381 -6.56000 -0.70000 -1.12000 -9.32000 -1.83000 8.38000 -11.94000 2.91000 4.60000 3.46000 0.00000 0.00000 0.00000 0.79000 0.55000 0.00000 -0.35000 0.00000 -1.44000 0.00000 2.38000 65.00000 SHO1_1QKX-8_29.PDB 9.57446 -5.84000 -0.88000 -1.34000 -8.75000 -1.18000 8.08000 -11.37000 2.90000 4.62000 2.74000 0.00000 0.00000 0.00000 0.79000 0.44000 0.00000 -0.24000 0.00000 -1.19000 0.00000 2.38000 65.00000 SHO1_1QKX-8_30.PDB 9.31124 -6.88000 -0.92000 -1.67000 -9.71000 -1.90000 8.94000 -12.15000 3.01000 5.02000 3.91000 0.00000 0.00000 0.00000 0.56000 0.56000 0.00000 -0.62000 0.00000 -1.34000 0.00000 2.38000 65.00000