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-26_1.PDB 7.82320 -7.14000 -1.06000 -4.09000 -7.43000 -1.56000 7.51000 -9.65000 2.90000 4.83000 3.51000 0.00000 0.00000 0.00000 0.01000 0.60000 0.00000 -0.32000 0.00000 -1.78000 0.00000 2.38000 66.00000 SHO1_1QKX-26_2.PDB 7.84359 -8.62000 -1.08000 -4.29000 -8.26000 -2.96000 9.14000 -10.03000 2.71000 5.54000 3.69000 0.00000 0.00000 0.00000 0.01000 0.80000 0.00000 -0.88000 0.00000 -2.22000 0.00000 2.38000 66.00000 SHO1_1QKX-26_3.PDB 7.88576 -6.61000 -1.04000 -2.97000 -7.28000 -1.41000 7.19000 -9.48000 2.93000 3.94000 3.40000 0.00000 0.00000 0.00000 0.01000 0.49000 0.00000 -0.25000 0.00000 -1.66000 0.00000 2.38000 66.00000 SHO1_1QKX-26_4.PDB 7.45618 -9.74000 -1.11000 -3.14000 -8.17000 -2.60000 8.02000 -9.79000 2.94000 3.92000 2.70000 0.00000 0.00000 0.00000 0.01000 0.82000 0.00000 -0.53000 0.00000 -2.00000 0.00000 2.38000 66.00000 SHO1_1QKX-26_5.PDB 7.76062 -6.73000 -1.12000 -3.23000 -7.30000 -1.42000 7.48000 -9.51000 3.23000 3.89000 3.26000 0.00000 0.00000 0.00000 0.01000 0.68000 0.00000 -0.35000 0.00000 -1.68000 0.00000 2.38000 66.00000 SHO1_1QKX-26_6.PDB 7.51636 -7.28000 -1.15000 -3.14000 -7.21000 -1.71000 7.19000 -9.42000 2.98000 4.19000 3.41000 0.00000 0.00000 0.00000 0.02000 0.48000 0.00000 -0.55000 0.00000 -1.89000 0.00000 2.38000 66.00000 SHO1_1QKX-26_7.PDB 7.54875 -9.81000 -1.10000 -2.86000 -8.19000 -2.58000 7.98000 -9.81000 2.92000 3.72000 2.46000 0.00000 0.00000 0.00000 0.01000 0.79000 0.00000 -0.43000 0.00000 -1.93000 0.00000 2.38000 66.00000 SHO1_1QKX-26_8.PDB 7.63370 -9.66000 -1.10000 -3.12000 -8.20000 -2.58000 8.25000 -9.85000 3.16000 3.74000 2.68000 0.00000 0.00000 0.00000 0.02000 0.85000 0.00000 -0.61000 0.00000 -2.04000 0.00000 2.38000 66.00000 SHO1_1QKX-26_9.PDB 8.58832 -6.04000 -1.14000 -2.54000 -7.30000 -1.71000 7.51000 -9.48000 3.17000 4.35000 3.28000 0.00000 0.00000 0.00000 0.01000 0.58000 0.00000 -0.30000 0.00000 -1.89000 0.00000 2.38000 66.00000 SHO1_1QKX-26_10.PDB 8.42547 -7.83000 -1.12000 -2.65000 -8.08000 -2.86000 8.91000 -9.84000 2.91000 4.88000 3.06000 0.00000 0.00000 0.00000 0.01000 0.68000 0.00000 -0.88000 0.00000 -2.18000 0.00000 2.38000 66.00000 SHO1_1QKX-26_11.PDB 7.71397 -8.50000 -1.17000 -4.42000 -8.18000 -2.84000 9.27000 -10.07000 3.18000 5.29000 3.46000 0.00000 0.00000 0.00000 0.01000 0.61000 0.00000 -0.88000 0.00000 -2.14000 0.00000 2.38000 66.00000 SHO1_1QKX-26_12.PDB 8.49027 -7.21000 -1.11000 -2.20000 -8.05000 -2.86000 8.96000 -9.85000 2.90000 4.71000 3.40000 0.00000 0.00000 0.00000 0.01000 0.58000 0.00000 -0.94000 0.00000 -2.17000 0.00000 2.38000 66.00000 SHO1_1QKX-26_13.PDB 8.66749 -7.28000 -1.08000 -2.20000 -8.04000 -2.69000 8.74000 -9.92000 2.69000 4.59000 3.07000 0.00000 0.00000 0.00000 0.01000 0.56000 0.00000 -0.38000 0.00000 -2.09000 0.00000 2.38000 66.00000 SHO1_1QKX-26_14.PDB 7.66871 -10.03000 -1.06000 -2.81000 -8.01000 -2.05000 7.43000 -9.85000 2.57000 2.93000 2.69000 0.00000 0.00000 0.00000 0.02000 0.86000 0.00000 -0.40000 0.00000 -1.48000 0.00000 2.38000 66.00000 SHO1_1QKX-26_15.PDB 7.70198 -8.61000 -1.07000 -3.35000 -8.14000 -2.05000 8.52000 -10.16000 2.82000 3.84000 3.15000 0.00000 0.00000 0.00000 0.02000 0.86000 0.00000 -0.57000 0.00000 -1.62000 0.00000 2.38000 66.00000 SHO1_1QKX-26_16.PDB 8.12321 -8.52000 -1.14000 -3.46000 -8.32000 -2.49000 8.96000 -10.24000 3.34000 4.39000 3.17000 0.00000 0.00000 0.00000 0.02000 0.72000 0.00000 -0.65000 0.00000 -2.10000 0.00000 2.38000 66.00000 SHO1_1QKX-26_17.PDB 7.64299 -9.28000 -1.07000 -3.63000 -8.26000 -2.45000 8.22000 -10.20000 2.52000 4.71000 3.33000 0.00000 0.00000 0.00000 0.02000 0.82000 0.00000 -0.77000 0.00000 -1.70000 0.00000 2.38000 66.00000 SHO1_1QKX-26_18.PDB 8.11979 -9.42000 -1.09000 -2.80000 -7.85000 -1.68000 7.26000 -9.69000 2.38000 2.67000 2.98000 0.00000 0.00000 0.00000 0.01000 0.69000 0.00000 -0.35000 0.00000 -1.27000 0.00000 2.38000 66.00000 SHO1_1QKX-26_19.PDB 7.74428 -8.72000 -1.13000 -1.43000 -8.27000 -2.69000 8.35000 -9.93000 2.94000 3.53000 2.39000 0.00000 0.00000 0.00000 0.01000 0.88000 0.00000 -0.43000 0.00000 -2.04000 0.00000 2.38000 66.00000 SHO1_1QKX-26_20.PDB 7.85656 -7.75000 -1.24000 -3.51000 -8.33000 -2.43000 9.20000 -10.28000 3.72000 4.40000 3.31000 0.00000 0.00000 0.00000 0.01000 0.76000 0.00000 -0.60000 0.00000 -2.02000 0.00000 2.38000 66.00000 SHO1_1QKX-26_21.PDB 7.47867 -9.71000 -1.12000 -1.12000 -8.29000 -2.71000 8.13000 -9.84000 2.50000 3.38000 1.98000 0.00000 0.00000 0.00000 0.01000 0.83000 0.00000 -0.57000 0.00000 -2.06000 0.00000 2.38000 66.00000 SHO1_1QKX-26_22.PDB 7.44926 -7.72000 -1.11000 -3.44000 -8.47000 -2.57000 9.65000 -10.22000 2.92000 4.59000 3.28000 0.00000 0.00000 0.00000 0.01000 0.71000 0.00000 -0.27000 0.00000 -2.10000 0.00000 2.38000 66.00000 SHO1_1QKX-26_23.PDB 7.79721 -8.67000 -1.10000 -3.61000 -8.30000 -2.43000 8.26000 -10.28000 3.07000 4.81000 3.40000 0.00000 0.00000 0.00000 0.03000 0.82000 0.00000 -0.89000 0.00000 -1.63000 0.00000 2.38000 66.00000 SHO1_1QKX-26_24.PDB 8.92567 -6.46000 -1.02000 -2.16000 -7.63000 -2.09000 7.91000 -9.76000 3.08000 4.70000 3.42000 0.00000 0.00000 0.00000 0.03000 0.60000 0.00000 -0.64000 0.00000 -2.28000 0.00000 2.38000 66.00000 SHO1_1QKX-26_25.PDB 8.45792 -6.70000 -1.08000 -1.84000 -7.08000 -1.57000 7.04000 -9.08000 2.65000 3.82000 2.70000 0.00000 0.00000 0.00000 0.01000 0.55000 0.00000 -0.50000 0.00000 -1.77000 0.00000 2.38000 66.00000 SHO1_1QKX-26_26.PDB 8.18017 -7.45000 -1.11000 -2.61000 -8.34000 -3.10000 9.42000 -10.07000 2.90000 5.16000 3.39000 0.00000 0.00000 0.00000 0.02000 0.75000 0.00000 -0.82000 0.00000 -2.31000 0.00000 2.38000 66.00000 SHO1_1QKX-26_27.PDB 8.33916 -6.40000 -1.10000 -2.56000 -7.43000 -1.57000 7.47000 -9.67000 2.98000 4.35000 3.22000 0.00000 0.00000 0.00000 0.01000 0.73000 0.00000 -0.35000 0.00000 -1.75000 0.00000 2.38000 66.00000 SHO1_1QKX-26_28.PDB 7.49987 -7.85000 -1.15000 -2.66000 -8.18000 -2.81000 9.03000 -9.99000 3.07000 4.88000 2.92000 0.00000 0.00000 0.00000 0.01000 0.63000 0.00000 -0.85000 0.00000 -2.12000 0.00000 2.38000 66.00000 SHO1_1QKX-26_29.PDB 8.47349 -6.18000 -1.06000 -1.02000 -6.86000 -1.61000 6.78000 -8.89000 2.82000 3.07000 3.00000 0.00000 0.00000 0.00000 0.01000 0.53000 0.00000 -0.57000 0.00000 -1.85000 0.00000 2.38000 66.00000 SHO1_1QKX-26_30.PDB 7.86676 -7.02000 -1.14000 -4.42000 -8.45000 -1.19000 8.74000 -10.35000 3.14000 4.93000 3.52000 0.00000 0.00000 0.00000 0.02000 0.72000 0.00000 -0.50000 0.00000 -1.31000 0.00000 2.38000 66.00000