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-11_1.PDB 8.56879 -4.36000 -1.75000 -3.18000 -7.95000 -1.67000 9.69000 -9.77000 3.46000 5.04000 3.80000 0.00000 0.00000 0.00000 0.16000 0.83000 0.00000 -0.57000 0.00000 -1.63000 0.00000 2.38000 64.00000 SHO1_1QKX-11_2.PDB 8.03549 -5.02000 -1.82000 -2.63000 -9.55000 -3.84000 12.52000 -11.19000 4.51000 6.13000 4.28000 0.00000 0.00000 0.00000 0.22000 1.00000 0.00000 -0.82000 0.00000 -2.85000 0.00000 2.38000 64.00000 SHO1_1QKX-11_3.PDB 8.00211 -4.63000 -1.24000 -3.42000 -7.65000 -1.89000 9.60000 -9.47000 2.26000 5.64000 3.92000 0.00000 0.00000 0.00000 0.21000 0.90000 0.00000 -0.78000 0.00000 -1.81000 0.00000 2.38000 64.00000 SHO1_1QKX-11_4.PDB 7.44094 -4.97000 -1.12000 -2.49000 -9.16000 -3.44000 11.34000 -10.90000 2.72000 6.46000 4.75000 0.00000 0.00000 0.00000 0.20000 0.85000 0.00000 -0.59000 0.00000 -2.74000 0.00000 2.38000 64.00000 SHO1_1QKX-11_5.PDB 7.60223 -4.09000 -1.25000 -1.09000 -7.92000 -1.72000 9.57000 -9.80000 2.37000 4.41000 3.36000 0.00000 0.00000 0.00000 0.17000 0.83000 0.00000 -0.43000 0.00000 -1.77000 0.00000 2.38000 64.00000 SHO1_1QKX-11_6.PDB 8.10611 -4.71000 -1.69000 -3.13000 -8.05000 -1.82000 9.90000 -9.79000 3.28000 5.36000 3.56000 0.00000 0.00000 0.00000 0.15000 0.85000 0.00000 -0.58000 0.00000 -1.90000 0.00000 2.38000 64.00000 SHO1_1QKX-11_7.PDB 7.38623 -5.70000 -1.13000 -2.54000 -9.40000 -4.44000 12.59000 -10.70000 3.70000 6.29000 3.28000 0.00000 0.00000 0.00000 0.22000 0.94000 0.00000 -0.59000 0.00000 -2.99000 0.00000 2.38000 64.00000 SHO1_1QKX-11_8.PDB 7.60061 -5.20000 -1.14000 -2.09000 -7.96000 -1.72000 9.29000 -10.02000 2.28000 4.63000 3.67000 0.00000 0.00000 0.00000 0.17000 0.85000 0.00000 -0.62000 0.00000 -1.67000 0.00000 2.38000 64.00000 SHO1_1QKX-11_9.PDB 8.74109 -4.37000 -1.64000 -4.10000 -8.15000 -1.78000 10.40000 -9.96000 3.14000 6.19000 3.77000 0.00000 0.00000 0.00000 0.16000 0.82000 0.00000 -0.68000 0.00000 -1.72000 0.00000 2.38000 64.00000 SHO1_1QKX-11_10.PDB 7.47888 -3.76000 -1.14000 -1.00000 -8.25000 -1.80000 9.82000 -10.27000 2.50000 4.68000 3.71000 0.00000 0.00000 0.00000 0.16000 0.85000 0.00000 -0.41000 0.00000 -1.74000 0.00000 2.38000 64.00000 SHO1_1QKX-11_11.PDB 8.29254 -5.90000 -1.69000 -6.02000 -9.57000 -3.48000 12.92000 -11.15000 3.81000 8.14000 4.39000 0.00000 0.00000 0.00000 0.22000 1.10000 0.00000 -0.70000 0.00000 -2.77000 0.00000 2.38000 64.00000 SHO1_1QKX-11_12.PDB 7.31361 -4.39000 -1.15000 -2.18000 -8.07000 -1.87000 9.91000 -10.02000 2.57000 5.31000 3.46000 0.00000 0.00000 0.00000 0.21000 0.91000 0.00000 -0.75000 0.00000 -1.81000 0.00000 2.38000 64.00000 SHO1_1QKX-11_13.PDB 7.95563 -3.66000 -1.65000 -1.67000 -7.57000 -0.92000 8.85000 -9.70000 3.16000 3.52000 3.57000 0.00000 0.00000 0.00000 0.18000 0.80000 0.00000 -0.44000 0.00000 -0.99000 0.00000 2.38000 64.00000 SHO1_1QKX-11_14.PDB 6.96921 -3.45000 -1.13000 -0.97000 -7.88000 -1.47000 9.19000 -9.85000 3.36000 4.09000 3.06000 0.00000 0.00000 0.00000 0.17000 0.66000 0.00000 -0.54000 0.00000 -1.48000 0.00000 2.38000 64.00000 SHO1_1QKX-11_15.PDB 6.39315 -3.04000 -1.22000 -1.06000 -7.41000 -1.12000 8.67000 -9.40000 2.48000 3.94000 3.58000 0.00000 0.00000 0.00000 0.13000 0.86000 0.00000 -0.50000 0.00000 -1.12000 0.00000 2.38000 64.00000 SHO1_1QKX-11_16.PDB 7.44065 -4.74000 -1.16000 -1.84000 -9.29000 -2.60000 11.26000 -11.24000 3.12000 5.02000 3.66000 0.00000 0.00000 0.00000 0.22000 1.02000 0.00000 -0.11000 0.00000 -1.78000 0.00000 2.38000 64.00000 SHO1_1QKX-11_17.PDB 8.22886 -4.36000 -2.48000 -3.72000 -7.72000 -1.47000 10.90000 -9.34000 2.16000 4.91000 4.03000 0.00000 0.00000 0.00000 0.18000 1.12000 0.00000 -0.33000 0.00000 -1.49000 0.00000 2.38000 64.00000 SHO1_1QKX-11_18.PDB 6.06426 -3.80000 -1.77000 -1.63000 -8.18000 -1.55000 9.76000 -10.24000 3.63000 4.40000 3.42000 0.00000 0.00000 0.00000 0.17000 0.88000 0.00000 -0.29000 0.00000 -1.52000 0.00000 2.38000 64.00000 SHO1_1QKX-11_19.PDB 7.37431 -5.13000 -1.75000 -2.95000 -7.49000 -1.87000 9.37000 -9.45000 2.96000 4.40000 3.80000 0.00000 0.00000 0.00000 0.35000 1.12000 0.00000 -0.70000 0.00000 -1.79000 0.00000 2.38000 64.00000 SHO1_1QKX-11_20.PDB 6.63985 -3.18000 -1.18000 -2.01000 -8.01000 -1.19000 9.36000 -9.95000 2.34000 4.88000 3.92000 0.00000 0.00000 0.00000 0.15000 1.09000 0.00000 -0.44000 0.00000 -1.05000 0.00000 2.38000 64.00000 SHO1_1QKX-11_21.PDB 7.85779 -3.61000 -1.74000 -4.05000 -9.32000 -2.93000 11.42000 -11.11000 4.97000 7.22000 4.28000 0.00000 0.00000 0.00000 0.22000 0.88000 0.00000 -0.21000 0.00000 -2.36000 0.00000 2.38000 64.00000 SHO1_1QKX-11_22.PDB 7.32744 -6.00000 -1.19000 -4.48000 -9.63000 -3.51000 12.43000 -11.37000 3.84000 7.13000 4.15000 0.00000 0.00000 0.00000 0.17000 0.93000 0.00000 -0.70000 0.00000 -2.87000 0.00000 2.38000 64.00000 SHO1_1QKX-11_23.PDB 8.15874 -5.38000 -1.64000 -4.68000 -9.19000 -2.76000 11.95000 -10.87000 4.35000 6.44000 3.63000 0.00000 0.00000 0.00000 0.28000 0.99000 0.00000 -0.84000 0.00000 -2.05000 0.00000 2.38000 64.00000 SHO1_1QKX-11_24.PDB 8.06578 -6.26000 -1.23000 -2.85000 -9.41000 -3.14000 12.07000 -11.08000 2.90000 5.72000 2.83000 0.00000 0.00000 0.00000 0.23000 1.07000 0.00000 -0.17000 0.00000 -2.14000 0.00000 2.38000 64.00000 SHO1_1QKX-11_25.PDB 8.30488 -3.79000 -1.07000 -1.68000 -7.30000 -1.78000 9.03000 -9.14000 2.42000 4.38000 3.62000 0.00000 0.00000 0.00000 0.16000 0.79000 0.00000 -0.67000 0.00000 -1.75000 0.00000 2.38000 64.00000 SHO1_1QKX-11_26.PDB 7.29765 -2.58000 -1.22000 -1.10000 -7.55000 -1.29000 9.35000 -9.40000 2.30000 4.18000 4.01000 0.00000 0.00000 0.00000 0.16000 0.92000 0.00000 -0.73000 0.00000 -1.30000 0.00000 2.38000 64.00000 SHO1_1QKX-11_27.PDB 7.98764 -5.94000 -2.27000 -3.46000 -9.31000 -4.32000 13.98000 -10.47000 3.50000 6.56000 3.94000 0.00000 0.00000 0.00000 0.16000 1.14000 0.00000 -0.95000 0.00000 -3.30000 0.00000 2.38000 64.00000 SHO1_1QKX-11_28.PDB 6.80902 -3.83000 -1.17000 -1.97000 -8.02000 -1.04000 9.38000 -9.91000 2.33000 4.54000 3.21000 0.00000 0.00000 0.00000 0.16000 1.05000 0.00000 -0.38000 0.00000 -0.95000 0.00000 2.38000 64.00000 SHO1_1QKX-11_29.PDB 8.09094 -5.94000 -1.78000 -4.16000 -9.29000 -2.80000 12.32000 -11.07000 3.65000 6.03000 3.65000 0.00000 0.00000 0.00000 0.23000 0.96000 0.00000 -0.73000 0.00000 -1.98000 0.00000 2.38000 64.00000 SHO1_1QKX-11_30.PDB 8.07880 -5.55000 -1.26000 -3.36000 -8.92000 -2.07000 10.32000 -11.06000 2.78000 5.72000 4.25000 0.00000 0.00000 0.00000 0.23000 0.96000 0.00000 -0.47000 0.00000 -1.70000 0.00000 2.38000 64.00000