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-15_1.PDB 8.77517 -1.70000 -0.28000 -3.13000 -7.26000 -2.65000 8.85000 -8.46000 5.94000 3.64000 3.37000 0.00000 0.00000 0.00000 0.26000 0.48000 0.00000 -0.24000 0.00000 -1.74000 0.00000 2.38000 66.00000 SHO1_1QKX-15_2.PDB 8.62495 -2.38000 -0.26000 -1.72000 -6.76000 -2.26000 8.17000 -8.22000 4.50000 3.75000 3.20000 0.00000 0.00000 0.00000 0.07000 0.38000 0.00000 -0.84000 0.00000 -2.01000 0.00000 2.38000 66.00000 SHO1_1QKX-15_3.PDB 8.90703 -3.23000 -1.14000 -2.61000 -7.56000 -2.77000 9.34000 -8.81000 4.34000 5.19000 3.52000 0.00000 0.00000 0.00000 0.10000 0.37000 0.00000 -0.44000 0.00000 -2.38000 0.00000 2.38000 66.00000 SHO1_1QKX-15_4.PDB 8.34326 -3.92000 -1.08000 -2.76000 -7.55000 -2.57000 8.91000 -8.87000 4.54000 5.04000 3.42000 0.00000 0.00000 0.00000 0.21000 0.51000 0.00000 -0.94000 0.00000 -2.28000 0.00000 2.38000 66.00000 SHO1_1QKX-15_5.PDB 8.27795 -2.59000 -0.28000 -1.11000 -7.35000 -2.58000 8.88000 -8.66000 4.33000 4.00000 3.03000 0.00000 0.00000 0.00000 0.14000 0.59000 0.00000 -0.90000 0.00000 -2.09000 0.00000 2.38000 66.00000 SHO1_1QKX-15_6.PDB 8.40628 -2.03000 -0.29000 -1.92000 -6.76000 -2.36000 8.43000 -8.07000 4.38000 3.65000 3.16000 0.00000 0.00000 0.00000 0.06000 0.48000 0.00000 -0.50000 0.00000 -1.82000 0.00000 2.38000 66.00000 SHO1_1QKX-15_7.PDB 8.80838 -1.93000 -0.29000 -1.55000 -7.03000 -2.59000 8.69000 -8.34000 4.36000 3.73000 3.23000 0.00000 0.00000 0.00000 0.12000 0.51000 0.00000 -0.29000 0.00000 -1.98000 0.00000 2.38000 66.00000 SHO1_1QKX-15_8.PDB 9.23409 -2.70000 -1.14000 -2.04000 -7.78000 -2.80000 9.55000 -9.08000 5.00000 4.99000 3.46000 0.00000 0.00000 0.00000 0.15000 0.45000 0.00000 -0.70000 0.00000 -2.33000 0.00000 2.38000 66.00000 SHO1_1QKX-15_9.PDB 8.29584 -4.33000 -1.09000 -2.72000 -7.51000 -2.52000 8.83000 -8.97000 4.48000 5.01000 3.30000 0.00000 0.00000 0.00000 0.11000 0.57000 0.00000 -1.09000 0.00000 -2.15000 0.00000 2.38000 66.00000 SHO1_1QKX-15_10.PDB 8.93925 -3.93000 -1.09000 -2.47000 -7.50000 -2.75000 9.21000 -8.76000 4.32000 4.86000 3.55000 0.00000 0.00000 0.00000 0.10000 0.53000 0.00000 -1.10000 0.00000 -2.29000 0.00000 2.38000 66.00000 SHO1_1QKX-15_11.PDB 8.79385 -2.50000 -0.29000 -1.17000 -6.75000 -2.26000 8.21000 -8.18000 4.11000 3.61000 3.08000 0.00000 0.00000 0.00000 0.11000 0.51000 0.00000 -1.14000 0.00000 -1.81000 0.00000 2.38000 66.00000 SHO1_1QKX-15_12.PDB 8.46956 -3.75000 -0.30000 -1.95000 -7.81000 -2.24000 8.69000 -9.50000 4.65000 4.21000 3.06000 0.00000 0.00000 0.00000 0.12000 0.63000 0.00000 -1.04000 0.00000 -1.65000 0.00000 2.38000 66.00000 SHO1_1QKX-15_13.PDB 8.90555 -2.69000 -0.31000 -1.23000 -7.34000 -2.06000 7.73000 -9.22000 4.67000 3.59000 2.75000 0.00000 0.00000 0.00000 0.37000 0.49000 0.00000 -0.27000 0.00000 -1.36000 0.00000 2.38000 66.00000 SHO1_1QKX-15_14.PDB 8.69323 -1.73000 -0.27000 -1.62000 -6.87000 -2.44000 8.50000 -8.15000 4.24000 3.75000 3.43000 0.00000 0.00000 0.00000 0.10000 0.51000 0.00000 -0.42000 0.00000 -1.99000 0.00000 2.38000 66.00000 SHO1_1QKX-15_15.PDB 8.69283 -2.68000 -0.27000 -1.69000 -7.53000 -2.39000 9.43000 -8.65000 4.27000 3.76000 3.31000 0.00000 0.00000 0.00000 0.13000 0.76000 0.00000 -1.19000 0.00000 -1.86000 0.00000 2.38000 66.00000 SHO1_1QKX-15_16.PDB 8.73311 -2.06000 -0.30000 -1.90000 -6.83000 -2.41000 8.41000 -8.20000 4.43000 3.78000 3.52000 0.00000 0.00000 0.00000 0.08000 0.47000 0.00000 -0.71000 0.00000 -1.92000 0.00000 2.38000 66.00000 SHO1_1QKX-15_17.PDB 9.39574 -3.22000 -0.28000 -1.95000 -7.33000 -2.31000 8.55000 -8.96000 4.22000 4.05000 3.48000 0.00000 0.00000 0.00000 0.39000 0.58000 0.00000 -1.23000 0.00000 -1.86000 0.00000 2.38000 66.00000 SHO1_1QKX-15_18.PDB 8.63218 -3.49000 -1.05000 -2.68000 -7.45000 -2.55000 9.18000 -8.74000 4.26000 4.82000 3.56000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.79000 0.00000 -2.13000 0.00000 2.38000 66.00000 SHO1_1QKX-15_19.PDB 8.74621 -4.71000 -1.13000 -2.81000 -8.09000 -2.16000 8.76000 -9.79000 4.56000 5.03000 3.08000 0.00000 0.00000 0.00000 0.35000 0.62000 0.00000 -0.75000 0.00000 -1.77000 0.00000 2.38000 66.00000 SHO1_1QKX-15_20.PDB 9.35488 -5.09000 -1.07000 -2.74000 -7.90000 -2.34000 8.61000 -9.64000 4.50000 5.01000 3.34000 0.00000 0.00000 0.00000 0.10000 0.45000 0.00000 -1.08000 0.00000 -1.87000 0.00000 2.38000 66.00000 SHO1_1QKX-15_21.PDB 8.63570 -2.57000 -1.06000 -1.95000 -7.54000 -2.58000 9.10000 -8.81000 4.44000 4.61000 3.49000 0.00000 0.00000 0.00000 0.10000 0.53000 0.00000 -0.35000 0.00000 -2.02000 0.00000 2.38000 66.00000 SHO1_1QKX-15_22.PDB 8.40520 -2.72000 -1.14000 -2.67000 -7.58000 -2.90000 9.54000 -8.66000 4.53000 5.02000 3.80000 0.00000 0.00000 0.00000 0.06000 0.49000 0.00000 -0.36000 0.00000 -2.38000 0.00000 2.38000 66.00000 SHO1_1QKX-15_23.PDB 8.84799 -3.49000 -0.29000 -1.89000 -7.43000 -1.78000 8.05000 -9.29000 4.40000 3.81000 3.02000 0.00000 0.00000 0.00000 0.16000 0.41000 0.00000 -0.87000 0.00000 -1.38000 0.00000 2.38000 66.00000 SHO1_1QKX-15_24.PDB 8.35627 -2.13000 -0.27000 -1.89000 -7.11000 -2.66000 8.69000 -8.45000 5.08000 3.73000 2.85000 0.00000 0.00000 0.00000 0.23000 0.65000 0.00000 -0.41000 0.00000 -1.93000 0.00000 2.38000 66.00000 SHO1_1QKX-15_25.PDB 8.43087 -3.58000 -1.08000 -2.66000 -7.64000 -2.82000 8.99000 -9.13000 4.35000 5.33000 3.48000 0.00000 0.00000 0.00000 0.28000 0.64000 0.00000 -0.35000 0.00000 -2.35000 0.00000 2.38000 66.00000 SHO1_1QKX-15_26.PDB 9.04497 -2.07000 -0.28000 -1.10000 -6.96000 -2.43000 8.63000 -8.24000 4.01000 3.63000 3.35000 0.00000 0.00000 0.00000 0.14000 0.57000 0.00000 -0.91000 0.00000 -1.91000 0.00000 2.38000 66.00000 SHO1_1QKX-15_27.PDB 8.62915 -0.97000 -0.29000 -1.17000 -5.80000 -1.34000 6.99000 -7.14000 4.06000 2.93000 3.08000 0.00000 0.00000 0.00000 0.08000 0.29000 0.00000 -1.01000 0.00000 -1.36000 0.00000 2.38000 66.00000 SHO1_1QKX-15_28.PDB 8.95187 -2.45000 -1.08000 -1.96000 -7.83000 -2.53000 9.05000 -9.29000 4.46000 5.26000 3.84000 0.00000 0.00000 0.00000 0.11000 0.53000 0.00000 -0.28000 0.00000 -2.20000 0.00000 2.38000 66.00000 SHO1_1QKX-15_29.PDB 8.77294 -2.22000 -0.30000 -1.79000 -7.38000 -1.85000 8.11000 -9.15000 4.84000 3.67000 3.19000 0.00000 0.00000 0.00000 0.12000 0.56000 0.00000 -0.29000 0.00000 -1.39000 0.00000 2.38000 66.00000 SHO1_1QKX-15_30.PDB 8.61973 -3.58000 -0.29000 -1.97000 -7.42000 -1.77000 8.16000 -9.26000 4.45000 3.73000 3.03000 0.00000 0.00000 0.00000 0.12000 0.57000 0.00000 -1.03000 0.00000 -1.32000 0.00000 2.38000 66.00000