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-11_1.PDB 31.86000 -39.13000 -14.41000 -66.36000 -1.82000 86.22000 -83.28000 18.49000 35.72000 97.25000 0.00000 0.00000 0.00000 3.83000 17.15000 0.00000 -3.02000 0.00000 -1.63000 0.00000 0.00000 64.00000 SHO1_1QKX-11_2.PDB 31.24000 -40.63000 -15.27000 -68.00000 -3.83000 89.74000 -84.74000 19.98000 37.84000 98.22000 0.00000 0.00000 0.00000 3.90000 17.35000 0.00000 -3.13000 0.00000 -2.85000 0.00000 0.00000 64.00000 SHO1_1QKX-11_3.PDB 30.65000 -39.41000 -15.48000 -66.86000 -1.80000 87.19000 -83.77000 17.40000 37.50000 97.73000 0.00000 0.00000 0.00000 3.44000 17.25000 0.00000 -3.48000 0.00000 -1.81000 0.00000 0.00000 64.00000 SHO1_1QKX-11_4.PDB 30.81000 -39.94000 -15.18000 -68.01000 -3.26000 88.98000 -84.98000 17.88000 38.26000 98.79000 0.00000 0.00000 0.00000 3.66000 17.13000 0.00000 -2.67000 0.00000 -2.74000 0.00000 0.00000 64.00000 SHO1_1QKX-11_5.PDB 31.08000 -38.60000 -12.25000 -66.43000 -1.73000 86.05000 -83.49000 17.52000 35.03000 96.15000 0.00000 0.00000 0.00000 3.65000 17.14000 0.00000 -3.05000 0.00000 -1.77000 0.00000 0.00000 64.00000 SHO1_1QKX-11_6.PDB 30.66000 -39.08000 -14.40000 -66.60000 -1.94000 86.41000 -83.54000 18.67000 36.03000 96.40000 0.00000 0.00000 0.00000 3.93000 17.16000 0.00000 -3.31000 0.00000 -1.90000 0.00000 0.00000 64.00000 SHO1_1QKX-11_7.PDB 29.77000 -39.96000 -15.27000 -68.24000 -4.21000 90.27000 -84.78000 18.87000 38.15000 97.31000 0.00000 0.00000 0.00000 3.53000 17.24000 0.00000 -2.92000 0.00000 -2.99000 0.00000 0.00000 64.00000 SHO1_1QKX-11_8.PDB 30.86000 -39.69000 -14.52000 -66.70000 -1.99000 87.08000 -83.89000 17.35000 36.20000 97.85000 0.00000 0.00000 0.00000 3.81000 17.12000 0.00000 -2.96000 0.00000 -1.67000 0.00000 0.00000 64.00000 SHO1_1QKX-11_9.PDB 31.83000 -39.07000 -15.40000 -66.63000 -1.83000 87.01000 -83.57000 18.45000 36.78000 97.34000 0.00000 0.00000 0.00000 3.74000 17.09000 0.00000 -3.26000 0.00000 -1.72000 0.00000 0.00000 64.00000 SHO1_1QKX-11_10.PDB 32.04000 -38.54000 -12.28000 -66.63000 -1.85000 86.37000 -83.72000 17.45000 35.28000 97.19000 0.00000 0.00000 0.00000 3.66000 17.13000 0.00000 -3.14000 0.00000 -1.74000 0.00000 0.00000 64.00000 SHO1_1QKX-11_11.PDB 30.41000 -39.92000 -18.07000 -68.68000 -3.24000 90.58000 -85.23000 18.96000 40.03000 98.09000 0.00000 0.00000 0.00000 3.51000 17.40000 0.00000 -2.84000 0.00000 -2.77000 0.00000 0.00000 64.00000 SHO1_1QKX-11_12.PDB 31.25000 -39.88000 -14.80000 -67.09000 -1.75000 87.17000 -84.13000 17.56000 37.59000 97.64000 0.00000 0.00000 0.00000 3.52000 17.19000 0.00000 -2.74000 0.00000 -1.81000 0.00000 0.00000 64.00000 SHO1_1QKX-11_13.PDB 31.59000 -38.24000 -12.15000 -65.80000 -0.92000 84.58000 -82.98000 18.18000 33.20000 96.34000 0.00000 0.00000 0.00000 3.23000 17.09000 0.00000 -2.87000 0.00000 -0.99000 0.00000 0.00000 64.00000 SHO1_1QKX-11_14.PDB 30.99000 -39.10000 -12.77000 -66.36000 -1.51000 85.73000 -83.46000 18.44000 35.32000 96.29000 0.00000 0.00000 0.00000 3.03000 16.93000 0.00000 -3.13000 0.00000 -1.48000 0.00000 0.00000 64.00000 SHO1_1QKX-11_15.PDB 32.02000 -39.25000 -12.68000 -66.06000 -1.16000 85.21000 -83.37000 17.63000 34.87000 97.54000 0.00000 0.00000 0.00000 3.44000 17.16000 0.00000 -3.05000 0.00000 -1.12000 0.00000 0.00000 64.00000 SHO1_1QKX-11_16.PDB 30.67000 -39.16000 -13.72000 -67.83000 -2.52000 87.92000 -84.84000 18.17000 35.87000 97.14000 0.00000 0.00000 0.00000 3.72000 17.26000 0.00000 -2.30000 0.00000 -1.78000 0.00000 0.00000 64.00000 SHO1_1QKX-11_17.PDB 32.40000 -40.69000 -15.79000 -66.52000 -1.23000 88.62000 -83.30000 17.47000 36.26000 97.73000 0.00000 0.00000 0.00000 4.18000 17.43000 0.00000 -2.85000 0.00000 -1.49000 0.00000 0.00000 64.00000 SHO1_1QKX-11_18.PDB 30.85000 -39.20000 -12.91000 -66.73000 -1.52000 86.55000 -83.87000 18.65000 35.05000 96.32000 0.00000 0.00000 0.00000 3.16000 17.17000 0.00000 -3.13000 0.00000 -1.52000 0.00000 0.00000 64.00000 SHO1_1QKX-11_19.PDB 29.84000 -39.34000 -16.03000 -67.28000 -1.80000 87.17000 -84.67000 18.32000 36.49000 98.51000 0.00000 0.00000 0.00000 3.45000 17.54000 0.00000 -3.20000 0.00000 -1.79000 0.00000 0.00000 64.00000 SHO1_1QKX-11_20.PDB 32.28000 -39.37000 -14.02000 -66.75000 -1.31000 86.89000 -83.97000 17.36000 36.11000 97.56000 0.00000 0.00000 0.00000 3.74000 17.39000 0.00000 -2.92000 0.00000 -1.05000 0.00000 0.00000 64.00000 SHO1_1QKX-11_21.PDB 32.15000 -40.01000 -16.19000 -68.19000 -2.96000 89.31000 -85.01000 20.09000 38.90000 98.01000 0.00000 0.00000 0.00000 3.09000 17.15000 0.00000 -2.52000 0.00000 -2.36000 0.00000 0.00000 64.00000 SHO1_1QKX-11_22.PDB 30.29000 -39.01000 -16.15000 -68.35000 -3.26000 89.34000 -85.27000 19.00000 38.27000 98.15000 0.00000 0.00000 0.00000 3.45000 17.20000 0.00000 -3.00000 0.00000 -2.87000 0.00000 0.00000 64.00000 SHO1_1QKX-11_23.PDB 29.82000 -39.06000 -15.97000 -68.22000 -2.43000 88.66000 -84.92000 19.50000 37.20000 96.75000 0.00000 0.00000 0.00000 3.46000 17.35000 0.00000 -3.10000 0.00000 -2.05000 0.00000 0.00000 64.00000 SHO1_1QKX-11_24.PDB 29.25000 -39.41000 -14.94000 -68.44000 -2.83000 89.54000 -85.10000 18.10000 36.96000 95.94000 0.00000 0.00000 0.00000 4.11000 17.37000 0.00000 -2.53000 0.00000 -2.14000 0.00000 0.00000 64.00000 SHO1_1QKX-11_25.PDB 32.32000 -39.85000 -14.32000 -66.11000 -1.25000 86.75000 -83.10000 17.35000 36.26000 97.71000 0.00000 0.00000 0.00000 3.68000 17.07000 0.00000 -3.04000 0.00000 -1.75000 0.00000 0.00000 64.00000 SHO1_1QKX-11_26.PDB 32.35000 -39.23000 -12.88000 -66.45000 -1.34000 86.14000 -83.72000 17.30000 35.25000 98.02000 0.00000 0.00000 0.00000 3.55000 17.22000 0.00000 -2.99000 0.00000 -1.30000 0.00000 0.00000 64.00000 SHO1_1QKX-11_27.PDB 29.25000 -40.24000 -16.93000 -68.25000 -3.98000 91.09000 -84.64000 18.95000 38.09000 97.98000 0.00000 0.00000 0.00000 3.77000 17.49000 0.00000 -3.29000 0.00000 -3.30000 0.00000 0.00000 64.00000 SHO1_1QKX-11_28.PDB 31.85000 -39.77000 -14.40000 -67.18000 -1.13000 87.53000 -84.29000 17.34000 36.24000 97.13000 0.00000 0.00000 0.00000 3.89000 17.38000 0.00000 -2.57000 0.00000 -0.95000 0.00000 0.00000 64.00000 SHO1_1QKX-11_29.PDB 29.12000 -38.39000 -14.59000 -67.76000 -2.54000 88.32000 -84.59000 18.84000 35.77000 95.79000 0.00000 0.00000 0.00000 3.28000 17.25000 0.00000 -3.00000 0.00000 -1.98000 0.00000 0.00000 64.00000 SHO1_1QKX-11_30.PDB 29.98000 -37.85000 -13.85000 -67.33000 -2.09000 86.03000 -84.56000 17.84000 35.44000 96.44000 0.00000 0.00000 0.00000 4.24000 17.22000 0.00000 -2.62000 0.00000 -1.70000 0.00000 0.00000 64.00000