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-29_1.PDB 9.82086 -9.12000 -1.80000 -2.63000 -10.64000 -3.96000 10.39000 -13.46000 7.36000 6.95000 2.48000 0.00000 0.00000 0.00000 0.45000 0.79000 0.00000 -0.45000 0.00000 -3.80000 0.00000 2.38000 67.00000 SHO1_1QKX-29_2.PDB 12.53431 -9.60000 -1.30000 -2.07000 -9.72000 -2.38000 8.34000 -13.04000 5.94000 5.36000 2.07000 0.00000 0.00000 0.00000 0.49000 0.61000 0.00000 -0.52000 0.00000 -2.77000 0.00000 2.38000 67.00000 SHO1_1QKX-29_3.PDB 11.69301 -10.99000 -1.30000 -2.02000 -10.94000 -3.84000 9.70000 -14.21000 6.83000 6.61000 1.95000 0.00000 0.00000 0.00000 0.63000 0.79000 0.00000 -0.63000 0.00000 -3.77000 0.00000 2.38000 67.00000 SHO1_1QKX-29_4.PDB 12.74644 -11.93000 -2.24000 -2.99000 -10.70000 -4.43000 10.37000 -13.55000 6.25000 6.97000 2.45000 0.00000 0.00000 0.00000 0.65000 0.80000 0.00000 -0.79000 0.00000 -3.92000 0.00000 2.38000 67.00000 SHO1_1QKX-29_5.PDB 12.01447 -10.57000 -1.86000 -3.13000 -11.18000 -3.91000 10.49000 -14.29000 6.75000 8.06000 2.41000 0.00000 0.00000 0.00000 0.55000 0.73000 0.00000 -0.61000 0.00000 -3.84000 0.00000 2.38000 67.00000 SHO1_1QKX-29_6.PDB 10.86561 -9.05000 -1.79000 -3.41000 -9.80000 -3.57000 9.48000 -12.64000 5.65000 7.23000 3.52000 0.00000 0.00000 0.00000 0.48000 0.77000 0.00000 -0.67000 0.00000 -3.50000 0.00000 2.38000 67.00000 SHO1_1QKX-29_7.PDB 10.34875 -9.19000 -1.29000 -2.16000 -10.52000 -3.51000 9.50000 -13.62000 6.88000 6.35000 2.33000 0.00000 0.00000 0.00000 0.49000 0.69000 0.00000 -0.26000 0.00000 -3.37000 0.00000 2.38000 67.00000 SHO1_1QKX-29_8.PDB 10.41893 -10.44000 -1.48000 -2.20000 -10.34000 -4.04000 9.49000 -13.15000 6.70000 6.35000 2.28000 0.00000 0.00000 0.00000 0.23000 0.72000 0.00000 -0.45000 0.00000 -3.82000 0.00000 2.38000 67.00000 SHO1_1QKX-29_9.PDB 10.77311 -8.92000 -1.12000 -1.92000 -9.97000 -3.45000 9.11000 -12.76000 5.62000 6.16000 3.19000 0.00000 0.00000 0.00000 0.25000 0.74000 0.00000 -0.74000 0.00000 -3.30000 0.00000 2.38000 67.00000 SHO1_1QKX-29_10.PDB 9.65114 -10.81000 -0.96000 -2.09000 -10.60000 -4.29000 10.12000 -13.14000 5.26000 6.52000 2.45000 0.00000 0.00000 0.00000 0.26000 1.06000 0.00000 -0.55000 0.00000 -3.80000 0.00000 2.38000 67.00000 SHO1_1QKX-29_11.PDB 11.11843 -10.29000 -1.55000 -3.16000 -10.56000 -3.30000 9.85000 -13.27000 5.60000 7.06000 2.66000 0.00000 0.00000 0.00000 0.13000 1.04000 0.00000 -0.48000 0.00000 -3.26000 0.00000 2.38000 67.00000 SHO1_1QKX-29_12.PDB 11.12785 -9.72000 -1.25000 -2.85000 -10.47000 -3.76000 9.54000 -13.46000 7.26000 6.56000 2.00000 0.00000 0.00000 0.00000 0.39000 0.90000 0.00000 -0.25000 0.00000 -3.43000 0.00000 2.38000 67.00000 SHO1_1QKX-29_13.PDB 8.91245 -8.93000 -1.25000 -2.98000 -10.80000 -3.61000 9.71000 -13.89000 7.92000 7.57000 2.02000 0.00000 0.00000 0.00000 0.39000 0.88000 0.00000 -0.58000 0.00000 -3.44000 0.00000 2.38000 67.00000 SHO1_1QKX-29_14.PDB 11.80596 -9.43000 -1.24000 -1.92000 -9.82000 -2.72000 8.42000 -12.75000 5.77000 5.72000 2.55000 0.00000 0.00000 0.00000 0.11000 0.77000 0.00000 -0.39000 0.00000 -3.15000 0.00000 2.38000 67.00000 SHO1_1QKX-29_15.PDB 9.06985 -9.12000 -0.90000 -1.73000 -10.51000 -4.25000 9.84000 -13.01000 6.24000 6.37000 2.79000 0.00000 0.00000 0.00000 0.15000 0.87000 0.00000 -0.30000 0.00000 -3.81000 0.00000 2.38000 67.00000 SHO1_1QKX-29_16.PDB 10.81896 -8.74000 -1.92000 -2.82000 -11.11000 -4.29000 10.69000 -13.74000 7.94000 7.37000 2.59000 0.00000 0.00000 0.00000 0.59000 1.00000 0.00000 -0.61000 0.00000 -3.44000 0.00000 2.38000 67.00000 SHO1_1QKX-29_17.PDB 10.48734 -13.58000 -1.24000 -3.46000 -11.50000 -5.69000 11.26000 -13.54000 7.83000 5.66000 1.28000 0.00000 0.00000 0.00000 0.30000 1.31000 0.00000 -0.30000 0.00000 -4.17000 0.00000 2.38000 67.00000 SHO1_1QKX-29_18.PDB 10.58604 -10.65000 -1.93000 -3.51000 -10.81000 -3.77000 10.26000 -13.59000 6.54000 6.95000 2.91000 0.00000 0.00000 0.00000 0.26000 0.94000 0.00000 -0.53000 0.00000 -3.42000 0.00000 2.38000 67.00000 SHO1_1QKX-29_19.PDB 9.68850 -10.00000 -1.26000 -2.61000 -10.59000 -3.39000 9.76000 -13.33000 6.68000 6.20000 2.19000 0.00000 0.00000 0.00000 0.14000 0.99000 0.00000 -0.54000 0.00000 -3.25000 0.00000 2.38000 67.00000 SHO1_1QKX-29_20.PDB 10.93931 -9.23000 -1.80000 -2.45000 -10.66000 -3.44000 9.50000 -13.83000 7.25000 6.73000 2.76000 0.00000 0.00000 0.00000 0.47000 0.70000 0.00000 -0.55000 0.00000 -3.23000 0.00000 2.38000 67.00000 SHO1_1QKX-29_21.PDB 9.43200 -9.60000 -1.02000 -1.69000 -10.85000 -3.99000 9.92000 -13.69000 6.55000 6.49000 2.76000 0.00000 0.00000 0.00000 0.17000 0.96000 0.00000 -0.46000 0.00000 -3.80000 0.00000 2.38000 67.00000 SHO1_1QKX-29_22.PDB 9.71316 -8.69000 -1.81000 -2.58000 -10.97000 -3.56000 10.68000 -13.65000 7.57000 7.00000 2.46000 0.00000 0.00000 0.00000 0.15000 1.00000 0.00000 -0.57000 0.00000 -3.41000 0.00000 2.38000 67.00000 SHO1_1QKX-29_23.PDB 9.76541 -9.98000 -1.55000 -3.09000 -10.65000 -3.32000 9.59000 -13.37000 6.98000 6.68000 2.34000 0.00000 0.00000 0.00000 0.15000 1.07000 0.00000 -0.58000 0.00000 -3.16000 0.00000 2.38000 67.00000 SHO1_1QKX-29_24.PDB 10.92173 -11.10000 -1.30000 -2.85000 -10.77000 -3.68000 10.09000 -13.66000 5.87000 6.34000 1.91000 0.00000 0.00000 0.00000 0.62000 0.84000 0.00000 -0.26000 0.00000 -3.42000 0.00000 2.38000 67.00000 SHO1_1QKX-29_25.PDB 10.56268 -10.43000 -1.65000 -2.26000 -11.16000 -4.18000 10.48000 -14.12000 7.15000 6.80000 2.11000 0.00000 0.00000 0.00000 0.55000 0.85000 0.00000 -0.61000 0.00000 -3.55000 0.00000 2.38000 67.00000 SHO1_1QKX-29_26.PDB 10.07382 -9.14000 -1.21000 -1.89000 -10.54000 -3.56000 9.53000 -13.40000 6.62000 6.39000 2.73000 0.00000 0.00000 0.00000 0.27000 0.83000 0.00000 -0.63000 0.00000 -3.46000 0.00000 2.38000 67.00000 SHO1_1QKX-29_27.PDB 10.57519 -8.98000 -1.72000 -2.45000 -9.93000 -2.57000 8.58000 -13.26000 6.25000 6.63000 2.53000 0.00000 0.00000 0.00000 0.39000 0.69000 0.00000 -0.63000 0.00000 -2.81000 0.00000 2.38000 67.00000 SHO1_1QKX-29_28.PDB 11.63434 -8.73000 -1.16000 -1.96000 -9.75000 -2.62000 8.21000 -13.37000 6.98000 5.59000 2.31000 0.00000 0.00000 0.00000 0.49000 0.55000 0.00000 -0.44000 0.00000 -3.02000 0.00000 2.38000 67.00000 SHO1_1QKX-29_29.PDB 11.32346 -10.79000 -1.50000 -3.15000 -10.33000 -3.09000 9.20000 -13.38000 6.39000 6.02000 1.98000 0.00000 0.00000 0.00000 0.51000 0.79000 0.00000 -0.36000 0.00000 -3.07000 0.00000 2.38000 67.00000 SHO1_1QKX-29_30.PDB 10.66083 -10.60000 -1.54000 -2.62000 -11.09000 -4.34000 10.34000 -14.45000 6.80000 8.12000 2.59000 0.00000 0.00000 0.00000 0.56000 0.80000 0.00000 -0.74000 0.00000 -4.21000 0.00000 2.38000 67.00000