name total energy Backbone Hbon 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-8_1.PDB 31.38000 -39.08000 -14.26000 -69.60000 -2.34000 88.23000 -86.97000 18.52000 37.41000 98.93000 0.00000 0.00000 0.00000 5.12000 15.62000 0.00000 -2.77000 0.00000 -1.80000 0.00000 0.00000 65.00000 SHO1_1QKX-8_2.PDB 30.97000 -38.76000 -13.91000 -67.50000 -1.73000 85.22000 -85.27000 18.03000 36.22000 97.38000 0.00000 0.00000 0.00000 5.32000 15.10000 0.00000 -2.71000 0.00000 -1.34000 0.00000 0.00000 65.00000 SHO1_1QKX-8_3.PDB 31.98000 -39.52000 -14.11000 -68.31000 -1.67000 85.18000 -86.20000 19.31000 37.37000 98.51000 0.00000 0.00000 0.00000 5.75000 15.34000 0.00000 -2.91000 0.00000 -1.42000 0.00000 0.00000 65.00000 SHO1_1QKX-8_4.PDB 30.25000 -39.79000 -15.70000 -70.02000 -2.34000 87.78000 -87.65000 19.46000 38.35000 98.68000 0.00000 0.00000 0.00000 5.98000 15.41000 0.00000 -3.13000 0.00000 -1.37000 0.00000 0.00000 65.00000 SHO1_1QKX-8_5.PDB 31.45000 -38.75000 -12.90000 -67.18000 -1.40000 83.95000 -84.91000 17.81000 35.89000 97.82000 0.00000 0.00000 0.00000 5.41000 15.07000 0.00000 -2.91000 0.00000 -1.38000 0.00000 0.00000 65.00000 SHO1_1QKX-8_6.PDB 32.71000 -38.53000 -13.79000 -69.05000 -1.59000 86.10000 -87.29000 19.26000 37.20000 98.09000 0.00000 0.00000 0.00000 5.99000 15.71000 0.00000 -2.52000 0.00000 -1.15000 0.00000 0.00000 65.00000 SHO1_1QKX-8_7.PDB 33.92000 -38.82000 -13.13000 -68.18000 -1.66000 85.65000 -86.07000 19.34000 36.48000 98.71000 0.00000 0.00000 0.00000 5.38000 15.38000 0.00000 -2.63000 0.00000 -1.16000 0.00000 0.00000 65.00000 SHO1_1QKX-8_8.PDB 31.07000 -38.77000 -13.91000 -68.97000 -1.48000 87.35000 -86.42000 18.28000 36.36000 97.30000 0.00000 0.00000 0.00000 5.07000 15.58000 0.00000 -2.73000 0.00000 -1.02000 0.00000 0.00000 65.00000 SHO1_1QKX-8_9.PDB 31.17000 -39.36000 -14.15000 -67.63000 -2.11000 85.84000 -85.40000 18.88000 36.32000 97.61000 0.00000 0.00000 0.00000 5.32000 15.18000 0.00000 -2.73000 0.00000 -1.42000 0.00000 0.00000 65.00000 SHO1_1QKX-8_10.PDB 32.06000 -38.78000 -13.72000 -67.77000 -2.26000 85.89000 -85.70000 18.72000 36.69000 97.21000 0.00000 0.00000 0.00000 5.80000 15.68000 0.00000 -2.40000 0.00000 -1.60000 0.00000 0.00000 65.00000 SHO1_1QKX-8_11.PDB 30.25000 -37.99000 -13.24000 -68.09000 -2.15000 84.63000 -85.95000 17.99000 36.05000 98.32000 0.00000 0.00000 0.00000 5.37000 15.12000 0.00000 -2.96000 0.00000 -1.72000 0.00000 0.00000 65.00000 SHO1_1QKX-8_12.PDB 31.79000 -39.13000 -13.56000 -68.90000 -1.35000 85.39000 -86.99000 19.45000 37.11000 98.20000 0.00000 0.00000 0.00000 5.56000 15.31000 0.00000 -2.91000 0.00000 -1.09000 0.00000 0.00000 65.00000 SHO1_1QKX-8_13.PDB 32.85000 -39.05000 -13.83000 -66.89000 -1.65000 84.23000 -84.30000 19.45000 36.40000 97.59000 0.00000 0.00000 0.00000 5.25000 15.21000 0.00000 -2.86000 0.00000 -1.50000 0.00000 0.00000 65.00000 SHO1_1QKX-8_14.PDB 30.42000 -40.12000 -15.44000 -70.13000 -2.76000 88.40000 -87.96000 19.19000 38.63000 99.41000 0.00000 0.00000 0.00000 5.90000 15.77000 0.00000 -2.95000 0.00000 -1.77000 0.00000 0.00000 65.00000 SHO1_1QKX-8_15.PDB 31.54000 -39.43000 -14.23000 -67.98000 -2.04000 86.89000 -85.30000 19.44000 36.35000 96.57000 0.00000 0.00000 0.00000 5.10000 15.32000 0.00000 -2.32000 0.00000 -1.52000 0.00000 0.00000 65.00000 SHO1_1QKX-8_16.PDB 29.40000 -38.13000 -12.95000 -67.86000 -2.78000 84.48000 -85.69000 18.10000 36.07000 96.92000 0.00000 0.00000 0.00000 5.43000 15.26000 0.00000 -2.73000 0.00000 -1.46000 0.00000 0.00000 65.00000 SHO1_1QKX-8_17.PDB 29.41000 -38.18000 -13.05000 -69.59000 -1.81000 86.17000 -88.30000 17.82000 36.35000 98.32000 0.00000 0.00000 0.00000 5.67000 15.65000 0.00000 -2.77000 0.00000 -1.22000 0.00000 0.00000 65.00000 SHO1_1QKX-8_18.PDB 29.31000 -39.98000 -14.61000 -69.30000 -2.64000 88.12000 -86.54000 18.92000 37.39000 97.60000 0.00000 0.00000 0.00000 5.16000 15.39000 0.00000 -3.17000 0.00000 -1.63000 0.00000 0.00000 65.00000 SHO1_1QKX-8_19.PDB 31.08000 -39.71000 -14.17000 -67.49000 -1.72000 85.17000 -85.39000 18.83000 36.96000 97.54000 0.00000 0.00000 0.00000 5.39000 15.76000 0.00000 -2.81000 0.00000 -1.51000 0.00000 0.00000 65.00000 SHO1_1QKX-8_20.PDB 33.75000 -39.07000 -13.60000 -68.01000 -1.43000 85.01000 -85.84000 19.31000 37.01000 98.78000 0.00000 0.00000 0.00000 5.58000 15.31000 0.00000 -2.64000 0.00000 -1.35000 0.00000 0.00000 65.00000 SHO1_1QKX-8_21.PDB 30.15000 -38.23000 -12.57000 -68.03000 -1.57000 84.24000 -86.10000 18.36000 35.45000 98.26000 0.00000 0.00000 0.00000 5.03000 15.28000 0.00000 -3.01000 0.00000 -1.67000 0.00000 0.00000 65.00000 SHO1_1QKX-8_22.PDB 29.24000 -38.14000 -12.40000 -67.44000 -1.63000 83.71000 -85.69000 18.48000 35.30000 96.23000 0.00000 0.00000 0.00000 5.00000 14.99000 0.00000 -2.87000 0.00000 -1.32000 0.00000 0.00000 65.00000 SHO1_1QKX-8_23.PDB 29.04000 -39.04000 -14.83000 -71.01000 -2.42000 90.32000 -88.06000 17.29000 37.00000 98.75000 0.00000 0.00000 0.00000 5.06000 15.53000 0.00000 -2.55000 0.00000 -1.48000 0.00000 0.00000 65.00000 SHO1_1QKX-8_24.PDB 31.14000 -38.81000 -13.19000 -67.94000 -2.01000 86.32000 -85.35000 18.43000 36.46000 96.28000 0.00000 0.00000 0.00000 5.25000 15.28000 0.00000 -2.72000 0.00000 -1.59000 0.00000 0.00000 65.00000 SHO1_1QKX-8_25.PDB 32.23000 -39.21000 -13.82000 -68.61000 -2.53000 85.90000 -86.68000 19.14000 37.77000 98.89000 0.00000 0.00000 0.00000 5.53000 15.78000 0.00000 -2.80000 0.00000 -1.32000 0.00000 0.00000 65.00000 SHO1_1QKX-8_26.PDB 30.77000 -38.88000 -13.72000 -67.81000 -1.71000 85.45000 -85.86000 19.33000 36.55000 96.49000 0.00000 0.00000 0.00000 5.04000 15.67000 0.00000 -2.84000 0.00000 -1.26000 0.00000 0.00000 65.00000 SHO1_1QKX-8_27.PDB 30.64000 -38.26000 -14.72000 -69.19000 -1.33000 87.04000 -86.87000 18.54000 35.57000 98.78000 0.00000 0.00000 0.00000 5.28000 15.43000 0.00000 -2.98000 0.00000 -1.22000 0.00000 0.00000 65.00000 SHO1_1QKX-8_28.PDB 31.84000 -39.53000 -14.73000 -68.40000 -2.47000 86.35000 -85.67000 19.47000 37.47000 98.15000 0.00000 0.00000 0.00000 5.50000 15.44000 0.00000 -2.86000 0.00000 -1.44000 0.00000 0.00000 65.00000 SHO1_1QKX-8_29.PDB 32.61000 -39.08000 -13.57000 -68.22000 -1.73000 85.73000 -86.26000 19.41000 37.03000 97.70000 0.00000 0.00000 0.00000 5.34000 15.23000 0.00000 -2.56000 0.00000 -1.19000 0.00000 0.00000 65.00000 SHO1_1QKX-8_30.PDB 30.23000 -39.88000 -15.41000 -68.44000 -2.34000 86.27000 -85.69000 19.40000 37.74000 97.77000 0.00000 0.00000 0.00000 5.42000 15.36000 0.00000 -3.27000 0.00000 -1.34000 0.00000 0.00000 65.00000