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-28_1.PDB 9.17793 -12.83000 -1.30000 -1.82000 -11.31000 -1.45000 9.08000 -15.68000 4.31000 4.94000 2.53000 0.00000 0.00000 0.00000 0.11000 1.68000 0.00000 -0.56000 0.00000 -1.68000 0.00000 2.38000 67.00000 SHO1_1QKX-28_2.PDB 8.80469 -13.26000 -1.27000 -2.65000 -12.18000 -2.27000 11.05000 -16.22000 5.07000 6.20000 1.99000 0.00000 0.00000 0.00000 0.10000 1.75000 0.00000 -0.86000 0.00000 -2.22000 0.00000 2.38000 67.00000 SHO1_1QKX-28_3.PDB 9.62044 -14.98000 -1.38000 -2.13000 -11.92000 -2.33000 10.24000 -16.05000 4.09000 5.55000 2.27000 0.00000 0.00000 0.00000 0.05000 1.99000 0.00000 -1.16000 0.00000 -2.21000 0.00000 2.38000 67.00000 SHO1_1QKX-28_4.PDB 9.06677 -13.29000 -1.30000 -3.40000 -10.98000 -1.37000 9.46000 -14.92000 4.08000 5.53000 2.18000 0.00000 0.00000 0.00000 0.11000 1.76000 0.00000 -1.12000 0.00000 -1.55000 0.00000 2.38000 67.00000 SHO1_1QKX-28_5.PDB 9.14720 -12.88000 -1.27000 -1.64000 -12.70000 -2.50000 11.68000 -16.75000 4.92000 6.46000 2.14000 0.00000 0.00000 0.00000 0.19000 1.96000 0.00000 -0.72000 0.00000 -2.70000 0.00000 2.38000 67.00000 SHO1_1QKX-28_6.PDB 8.52290 -10.88000 -1.23000 -1.82000 -11.43000 -1.18000 9.21000 -15.75000 6.34000 4.69000 2.78000 0.00000 0.00000 0.00000 0.04000 1.93000 0.00000 -1.07000 0.00000 -1.45000 0.00000 2.38000 67.00000 SHO1_1QKX-28_7.PDB 8.77737 -13.56000 -1.26000 -3.91000 -12.30000 -2.40000 11.41000 -16.24000 4.80000 6.71000 2.84000 0.00000 0.00000 0.00000 0.04000 2.05000 0.00000 -0.83000 0.00000 -2.42000 0.00000 2.38000 67.00000 SHO1_1QKX-28_8.PDB 8.86283 -13.05000 -1.29000 -3.30000 -11.83000 -2.06000 10.72000 -15.69000 5.34000 6.22000 2.02000 0.00000 0.00000 0.00000 0.06000 1.98000 0.00000 -1.05000 0.00000 -2.18000 0.00000 2.38000 67.00000 SHO1_1QKX-28_9.PDB 9.70789 -15.44000 -1.42000 -2.69000 -12.97000 -2.55000 11.92000 -17.29000 4.25000 6.46000 2.13000 0.00000 0.00000 0.00000 0.16000 2.27000 0.00000 -0.81000 0.00000 -2.63000 0.00000 2.38000 67.00000 SHO1_1QKX-28_10.PDB 7.97210 -13.86000 -1.27000 -3.30000 -12.29000 -2.46000 12.15000 -16.50000 5.09000 5.70000 2.37000 0.00000 0.00000 0.00000 0.04000 1.99000 0.00000 -1.04000 0.00000 -2.36000 0.00000 2.38000 67.00000 SHO1_1QKX-28_11.PDB 8.61132 -13.45000 -1.38000 -3.56000 -12.09000 -1.98000 11.00000 -16.02000 4.76000 6.60000 2.38000 0.00000 0.00000 0.00000 0.08000 2.13000 0.00000 -1.10000 0.00000 -2.13000 0.00000 2.38000 67.00000 SHO1_1QKX-28_12.PDB 9.21726 -13.98000 -1.25000 -4.03000 -12.55000 -2.37000 11.96000 -16.40000 4.66000 7.05000 2.43000 0.00000 0.00000 0.00000 0.07000 2.17000 0.00000 -1.19000 0.00000 -2.36000 0.00000 2.38000 67.00000 SHO1_1QKX-28_13.PDB 8.85412 -12.26000 -1.30000 -1.84000 -12.45000 -2.06000 11.05000 -16.73000 5.89000 5.93000 2.19000 0.00000 0.00000 0.00000 0.13000 1.83000 0.00000 -0.96000 0.00000 -2.13000 0.00000 2.38000 67.00000 SHO1_1QKX-28_14.PDB 8.46710 -12.18000 -1.27000 -1.81000 -11.14000 -1.44000 9.51000 -15.16000 4.49000 4.89000 2.57000 0.00000 0.00000 0.00000 0.03000 1.75000 0.00000 -1.11000 0.00000 -1.74000 0.00000 2.38000 67.00000 SHO1_1QKX-28_15.PDB 8.86017 -14.70000 -1.31000 -2.60000 -11.79000 -2.51000 10.50000 -15.82000 4.53000 5.66000 1.68000 0.00000 0.00000 0.00000 0.14000 1.93000 0.00000 -0.94000 0.00000 -2.23000 0.00000 2.38000 67.00000 SHO1_1QKX-28_16.PDB 8.39352 -13.68000 -1.26000 -1.87000 -12.33000 -2.26000 10.74000 -16.64000 5.33000 5.77000 1.93000 0.00000 0.00000 0.00000 0.08000 1.98000 0.00000 -0.76000 0.00000 -2.40000 0.00000 2.38000 67.00000 SHO1_1QKX-28_17.PDB 9.49835 -14.03000 -1.39000 -3.68000 -10.84000 -1.20000 9.34000 -14.74000 3.29000 5.43000 2.35000 0.00000 0.00000 0.00000 0.15000 1.88000 0.00000 -1.21000 0.00000 -1.53000 0.00000 2.38000 67.00000 SHO1_1QKX-28_18.PDB 8.31912 -13.55000 -1.26000 -3.89000 -12.43000 -2.51000 11.74000 -16.26000 4.88000 6.33000 2.98000 0.00000 0.00000 0.00000 0.06000 1.95000 0.00000 -0.79000 0.00000 -2.40000 0.00000 2.38000 67.00000 SHO1_1QKX-28_19.PDB 9.57855 -13.21000 -1.17000 -1.63000 -12.10000 -2.06000 10.43000 -16.31000 4.57000 5.63000 2.41000 0.00000 0.00000 0.00000 0.12000 1.98000 0.00000 -1.05000 0.00000 -2.06000 0.00000 2.38000 67.00000 SHO1_1QKX-28_20.PDB 8.93956 -13.89000 -1.28000 -3.55000 -12.00000 -2.30000 11.06000 -15.91000 3.91000 7.00000 2.47000 0.00000 0.00000 0.00000 0.10000 1.98000 0.00000 -1.12000 0.00000 -2.27000 0.00000 2.38000 67.00000 SHO1_1QKX-28_21.PDB 8.10123 -11.77000 -1.27000 -1.84000 -11.36000 -1.42000 9.29000 -15.70000 5.18000 5.53000 2.03000 0.00000 0.00000 0.00000 0.01000 1.86000 0.00000 -0.53000 0.00000 -1.70000 0.00000 2.38000 67.00000 SHO1_1QKX-28_22.PDB 9.31603 -13.88000 -1.95000 -3.00000 -12.48000 -2.69000 11.50000 -16.31000 5.07000 6.67000 2.59000 0.00000 0.00000 0.00000 0.10000 1.95000 0.00000 -0.74000 0.00000 -2.66000 0.00000 2.38000 67.00000 SHO1_1QKX-28_23.PDB 8.33967 -14.44000 -1.32000 -2.15000 -12.55000 -2.40000 10.95000 -16.92000 4.34000 6.29000 2.40000 0.00000 0.00000 0.00000 0.10000 2.23000 0.00000 -0.82000 0.00000 -2.38000 0.00000 2.38000 67.00000 SHO1_1QKX-28_24.PDB 8.46267 -10.31000 -1.29000 -3.28000 -10.90000 -1.24000 9.40000 -14.89000 6.21000 5.74000 2.52000 0.00000 0.00000 0.00000 0.04000 1.71000 0.00000 -1.05000 0.00000 -1.57000 0.00000 2.38000 67.00000 SHO1_1QKX-28_25.PDB 9.28274 -13.54000 -1.24000 -3.41000 -11.28000 -1.24000 9.30000 -15.47000 3.75000 6.03000 2.39000 0.00000 0.00000 0.00000 0.07000 1.94000 0.00000 -0.87000 0.00000 -1.57000 0.00000 2.38000 67.00000 SHO1_1QKX-28_26.PDB 9.23225 -13.35000 -1.31000 -3.38000 -11.17000 -1.28000 9.69000 -15.04000 4.30000 5.64000 2.05000 0.00000 0.00000 0.00000 0.10000 1.78000 0.00000 -1.35000 0.00000 -1.62000 0.00000 2.38000 67.00000 SHO1_1QKX-28_27.PDB 8.83692 -13.52000 -1.32000 -3.39000 -12.25000 -2.20000 11.49000 -16.15000 4.64000 6.48000 2.08000 0.00000 0.00000 0.00000 0.13000 1.81000 0.00000 -0.74000 0.00000 -2.30000 0.00000 2.38000 67.00000 SHO1_1QKX-28_28.PDB 8.93738 -13.67000 -1.27000 -1.80000 -12.59000 -1.98000 10.83000 -16.92000 5.24000 5.83000 1.97000 0.00000 0.00000 0.00000 0.10000 2.11000 0.00000 -0.98000 0.00000 -2.08000 0.00000 2.38000 67.00000 SHO1_1QKX-28_29.PDB 8.70087 -13.05000 -1.26000 -2.62000 -12.39000 -2.35000 11.44000 -16.32000 5.10000 6.55000 2.17000 0.00000 0.00000 0.00000 0.06000 2.00000 0.00000 -1.13000 0.00000 -2.31000 0.00000 2.38000 67.00000 SHO1_1QKX-28_30.PDB 8.40925 -12.38000 -1.23000 -2.58000 -12.32000 -2.75000 11.76000 -16.10000 5.73000 6.23000 2.41000 0.00000 0.00000 0.00000 0.08000 2.01000 0.00000 -0.99000 0.00000 -2.63000 0.00000 2.38000 67.00000