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-13_1.PDB 8.66125 -8.71000 -3.80000 -5.70000 -7.91000 -2.84000 10.46000 -8.60000 3.88000 6.30000 1.70000 0.00000 0.00000 0.00000 0.11000 0.39000 0.00000 -0.66000 0.00000 -1.65000 0.00000 2.38000 65.00000 SHO1_1QKX-13_2.PDB 8.66274 -8.70000 -3.79000 -5.55000 -7.58000 -2.72000 9.53000 -8.22000 3.80000 6.46000 1.51000 0.00000 0.00000 0.00000 0.11000 0.41000 0.00000 -0.68000 0.00000 -1.57000 0.00000 2.38000 65.00000 SHO1_1QKX-13_3.PDB 8.75725 -9.50000 -3.83000 -7.20000 -8.15000 -3.22000 11.65000 -8.61000 3.74000 7.04000 1.51000 0.00000 0.00000 0.00000 0.15000 0.46000 0.00000 -0.84000 0.00000 -1.75000 0.00000 2.38000 65.00000 SHO1_1QKX-13_4.PDB 7.92974 -8.31000 -3.83000 -6.35000 -8.57000 -2.44000 12.09000 -9.16000 3.06000 6.35000 1.58000 0.00000 0.00000 0.00000 0.25000 0.51000 0.00000 -0.33000 0.00000 -0.95000 0.00000 2.38000 65.00000 SHO1_1QKX-13_5.PDB 9.21707 -7.50000 -3.79000 -5.59000 -6.78000 -1.80000 9.15000 -7.61000 3.07000 5.99000 1.33000 0.00000 0.00000 0.00000 0.09000 0.34000 0.00000 -0.17000 0.00000 -1.38000 0.00000 2.38000 65.00000 SHO1_1QKX-13_6.PDB 10.58944 -8.87000 -3.87000 -5.30000 -8.41000 -2.57000 11.78000 -9.08000 3.22000 5.28000 1.36000 0.00000 0.00000 0.00000 0.23000 0.60000 0.00000 -0.43000 0.00000 -1.08000 0.00000 2.38000 65.00000 SHO1_1QKX-13_7.PDB 9.84161 -10.20000 -3.82000 -7.46000 -8.00000 -3.34000 11.76000 -8.37000 2.81000 7.73000 1.58000 0.00000 0.00000 0.00000 0.06000 0.58000 0.00000 -1.10000 0.00000 -2.05000 0.00000 2.38000 65.00000 SHO1_1QKX-13_8.PDB 8.59115 -8.84000 -3.85000 -4.73000 -7.66000 -3.02000 10.10000 -8.16000 3.24000 5.95000 1.64000 0.00000 0.00000 0.00000 0.07000 0.51000 0.00000 -0.76000 0.00000 -1.67000 0.00000 2.38000 65.00000 SHO1_1QKX-13_9.PDB 8.75985 -6.75000 -3.85000 -6.79000 -8.04000 -2.54000 11.14000 -8.43000 5.68000 5.66000 1.84000 0.00000 0.00000 0.00000 0.18000 0.62000 0.00000 -0.39000 0.00000 -1.19000 0.00000 2.38000 65.00000 SHO1_1QKX-13_10.PDB 8.50136 -8.51000 -4.36000 -5.97000 -7.47000 -2.57000 10.18000 -7.84000 3.40000 6.90000 2.28000 0.00000 0.00000 0.00000 0.03000 0.63000 0.00000 -0.94000 0.00000 -2.15000 0.00000 2.38000 65.00000 SHO1_1QKX-13_11.PDB 8.47725 -8.02000 -3.84000 -5.57000 -7.71000 -2.68000 11.03000 -8.12000 2.77000 6.14000 1.67000 0.00000 0.00000 0.00000 0.09000 0.41000 0.00000 -0.35000 0.00000 -1.45000 0.00000 2.38000 65.00000 SHO1_1QKX-13_12.PDB 7.93896 -7.73000 -3.76000 -4.70000 -8.01000 -2.47000 10.48000 -8.47000 5.09000 4.52000 1.17000 0.00000 0.00000 0.00000 0.17000 0.53000 0.00000 -0.46000 0.00000 -1.27000 0.00000 2.38000 65.00000 SHO1_1QKX-13_13.PDB 8.43699 -7.29000 -3.81000 -4.84000 -8.19000 -2.50000 10.96000 -8.80000 4.02000 5.80000 1.66000 0.00000 0.00000 0.00000 0.11000 0.50000 0.00000 -0.46000 0.00000 -1.24000 0.00000 2.38000 65.00000 SHO1_1QKX-13_14.PDB 10.33948 -8.73000 -3.81000 -6.37000 -7.75000 -2.43000 10.22000 -8.13000 4.31000 5.28000 1.35000 0.00000 0.00000 0.00000 0.16000 0.39000 0.00000 -0.49000 0.00000 -1.08000 0.00000 2.38000 65.00000 SHO1_1QKX-13_15.PDB 10.62907 -8.96000 -3.81000 -5.70000 -7.70000 -3.17000 10.40000 -8.09000 3.55000 6.04000 1.52000 0.00000 0.00000 0.00000 0.05000 0.53000 0.00000 -0.20000 0.00000 -1.84000 0.00000 2.38000 65.00000 SHO1_1QKX-13_16.PDB 8.61093 -9.49000 -3.83000 -5.60000 -7.66000 -2.77000 10.52000 -8.28000 2.42000 6.18000 1.75000 0.00000 0.00000 0.00000 0.08000 0.41000 0.00000 -0.68000 0.00000 -1.61000 0.00000 2.38000 65.00000 SHO1_1QKX-13_17.PDB 8.20603 -7.79000 -3.83000 -5.08000 -7.98000 -2.47000 11.64000 -8.66000 3.20000 5.35000 1.39000 0.00000 0.00000 0.00000 0.09000 0.51000 0.00000 -0.23000 0.00000 -1.21000 0.00000 2.38000 65.00000 SHO1_1QKX-13_18.PDB 9.09234 -9.10000 -3.85000 -4.51000 -7.90000 -3.03000 11.03000 -8.53000 3.05000 5.94000 1.19000 0.00000 0.00000 0.00000 0.09000 0.45000 0.00000 -0.62000 0.00000 -1.97000 0.00000 2.38000 65.00000 SHO1_1QKX-13_19.PDB 8.83879 -8.75000 -3.86000 -5.45000 -8.25000 -2.54000 11.23000 -8.80000 3.12000 5.68000 1.57000 0.00000 0.00000 0.00000 0.12000 0.57000 0.00000 -0.33000 0.00000 -1.24000 0.00000 2.38000 65.00000 SHO1_1QKX-13_20.PDB 8.61195 -9.35000 -3.84000 -7.22000 -7.56000 -2.60000 10.49000 -7.97000 4.32000 5.28000 1.29000 0.00000 0.00000 0.00000 0.18000 0.53000 0.00000 -0.32000 0.00000 -1.39000 0.00000 2.38000 65.00000 SHO1_1QKX-13_21.PDB 8.63801 -7.73000 -3.83000 -3.94000 -7.37000 -2.61000 9.78000 -7.95000 3.16000 5.72000 1.77000 0.00000 0.00000 0.00000 0.07000 0.44000 0.00000 -0.82000 0.00000 -1.71000 0.00000 2.38000 65.00000 SHO1_1QKX-13_22.PDB 8.26023 -8.00000 -3.85000 -3.84000 -8.70000 -2.39000 11.23000 -9.47000 3.11000 5.56000 2.01000 0.00000 0.00000 0.00000 0.18000 0.54000 0.00000 -0.66000 0.00000 -1.16000 0.00000 2.38000 65.00000 SHO1_1QKX-13_23.PDB 8.60644 -10.41000 -3.81000 -7.37000 -7.89000 -3.10000 10.97000 -8.27000 3.02000 7.02000 1.09000 0.00000 0.00000 0.00000 0.09000 0.44000 0.00000 -0.47000 0.00000 -1.69000 0.00000 2.38000 65.00000 SHO1_1QKX-13_24.PDB 10.39112 -9.68000 -3.84000 -6.44000 -7.63000 -2.80000 10.38000 -8.08000 3.50000 6.52000 1.18000 0.00000 0.00000 0.00000 0.07000 0.66000 0.00000 -0.86000 0.00000 -1.68000 0.00000 2.38000 65.00000 SHO1_1QKX-13_25.PDB 8.32240 -8.38000 -3.87000 -4.75000 -8.26000 -2.65000 11.71000 -8.90000 3.13000 5.32000 1.34000 0.00000 0.00000 0.00000 0.14000 0.53000 0.00000 -0.42000 0.00000 -1.17000 0.00000 2.38000 65.00000 SHO1_1QKX-13_26.PDB 8.98496 -9.48000 -3.81000 -7.91000 -7.55000 -2.72000 10.58000 -7.97000 3.15000 6.92000 1.61000 0.00000 0.00000 0.00000 0.15000 0.39000 0.00000 -0.30000 0.00000 -1.64000 0.00000 2.38000 65.00000 SHO1_1QKX-13_27.PDB 9.36951 -9.95000 -3.75000 -6.78000 -8.77000 -3.33000 12.32000 -8.84000 3.58000 6.89000 1.46000 0.00000 0.00000 0.00000 0.25000 0.56000 0.00000 -0.99000 0.00000 -1.98000 0.00000 2.38000 65.00000 SHO1_1QKX-13_28.PDB 8.65115 -8.73000 -3.81000 -5.56000 -8.05000 -3.09000 11.32000 -8.39000 3.96000 6.11000 1.41000 0.00000 0.00000 0.00000 0.16000 0.39000 0.00000 -0.77000 0.00000 -2.03000 0.00000 2.38000 65.00000 SHO1_1QKX-13_29.PDB 9.30198 -9.14000 -3.83000 -6.53000 -7.79000 -2.88000 10.95000 -8.17000 4.05000 5.33000 1.73000 0.00000 0.00000 0.00000 0.19000 0.35000 0.00000 -0.45000 0.00000 -1.75000 0.00000 2.38000 65.00000 SHO1_1QKX-13_30.PDB 9.55965 -9.75000 -3.85000 -7.95000 -7.85000 -2.50000 10.99000 -8.23000 3.79000 6.13000 1.66000 0.00000 0.00000 0.00000 0.23000 0.43000 0.00000 -0.73000 0.00000 -1.44000 0.00000 2.38000 65.00000