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-23_1.PDB 31.81000 -40.20000 -13.76000 -66.39000 -0.64000 84.13000 -83.94000 21.40000 36.00000 95.58000 0.00000 0.00000 0.00000 2.91000 17.10000 0.00000 -2.71000 0.00000 -0.56000 0.00000 0.00000 64.00000 SHO1_1QKX-23_2.PDB 32.57000 -39.59000 -13.19000 -66.12000 -1.05000 83.22000 -83.79000 22.29000 35.64000 95.93000 0.00000 0.00000 0.00000 2.93000 17.05000 0.00000 -2.89000 0.00000 -0.80000 0.00000 0.00000 64.00000 SHO1_1QKX-23_3.PDB 33.05000 -39.60000 -12.97000 -65.80000 -0.81000 83.48000 -82.99000 20.81000 34.87000 97.16000 0.00000 0.00000 0.00000 2.62000 17.03000 0.00000 -2.83000 0.00000 -0.88000 0.00000 0.00000 64.00000 SHO1_1QKX-23_4.PDB 33.90000 -39.75000 -13.33000 -66.36000 -0.50000 84.38000 -83.84000 21.48000 35.49000 96.16000 0.00000 0.00000 0.00000 3.26000 17.18000 0.00000 -2.45000 0.00000 -0.64000 0.00000 0.00000 64.00000 SHO1_1QKX-23_5.PDB 32.73000 -40.43000 -14.01000 -66.42000 -1.07000 84.38000 -84.05000 21.41000 36.78000 97.05000 0.00000 0.00000 0.00000 2.92000 17.06000 0.00000 -2.78000 0.00000 -1.04000 0.00000 0.00000 64.00000 SHO1_1QKX-23_6.PDB 33.63000 -39.81000 -13.41000 -66.33000 -1.17000 84.50000 -83.87000 21.44000 36.28000 96.56000 0.00000 0.00000 0.00000 3.21000 17.18000 0.00000 -2.54000 0.00000 -1.23000 0.00000 0.00000 64.00000 SHO1_1QKX-23_7.PDB 32.49000 -39.00000 -12.60000 -65.82000 -0.88000 82.98000 -83.49000 21.57000 34.62000 95.67000 0.00000 0.00000 0.00000 3.19000 17.12000 0.00000 -2.70000 0.00000 -1.05000 0.00000 0.00000 64.00000 SHO1_1QKX-23_8.PDB 31.07000 -41.10000 -14.72000 -66.60000 -0.93000 84.64000 -84.22000 21.55000 36.83000 95.97000 0.00000 0.00000 0.00000 3.04000 17.14000 0.00000 -2.63000 0.00000 -0.77000 0.00000 0.00000 64.00000 SHO1_1QKX-23_9.PDB 32.73000 -39.53000 -13.01000 -66.55000 -0.79000 84.47000 -84.01000 21.72000 35.36000 95.33000 0.00000 0.00000 0.00000 2.93000 17.16000 0.00000 -2.51000 0.00000 -0.68000 0.00000 0.00000 64.00000 SHO1_1QKX-23_10.PDB 32.95000 -40.46000 -14.06000 -66.44000 -0.73000 84.37000 -84.20000 21.47000 36.15000 97.20000 0.00000 0.00000 0.00000 3.19000 17.10000 0.00000 -2.75000 0.00000 -0.81000 0.00000 0.00000 64.00000 SHO1_1QKX-23_11.PDB 32.29000 -39.00000 -12.57000 -66.08000 -0.67000 83.20000 -83.71000 21.60000 34.85000 94.79000 0.00000 0.00000 0.00000 2.95000 17.01000 0.00000 -2.48000 0.00000 -0.58000 0.00000 0.00000 64.00000 SHO1_1QKX-23_12.PDB 33.00000 -40.44000 -14.02000 -66.51000 -0.62000 84.28000 -83.97000 21.37000 36.13000 97.32000 0.00000 0.00000 0.00000 3.06000 17.12000 0.00000 -2.83000 0.00000 -0.77000 0.00000 0.00000 64.00000 SHO1_1QKX-23_13.PDB 32.99000 -40.67000 -14.27000 -67.09000 -1.11000 85.20000 -84.66000 22.54000 37.22000 95.95000 0.00000 0.00000 0.00000 3.24000 17.23000 0.00000 -2.50000 0.00000 -0.86000 0.00000 0.00000 64.00000 SHO1_1QKX-23_14.PDB 32.54000 -41.18000 -14.80000 -67.16000 -0.64000 85.36000 -84.67000 21.48000 37.33000 97.23000 0.00000 0.00000 0.00000 3.19000 17.24000 0.00000 -2.85000 0.00000 -0.74000 0.00000 0.00000 64.00000 SHO1_1QKX-23_15.PDB 32.06000 -40.97000 -14.61000 -66.57000 -0.93000 84.95000 -84.11000 21.25000 36.69000 96.99000 0.00000 0.00000 0.00000 3.00000 17.23000 0.00000 -2.82000 0.00000 -0.80000 0.00000 0.00000 64.00000 SHO1_1QKX-23_16.PDB 32.77000 -40.89000 -14.51000 -67.17000 -0.93000 85.19000 -84.71000 22.06000 37.13000 96.84000 0.00000 0.00000 0.00000 2.91000 17.21000 0.00000 -2.65000 0.00000 -0.49000 0.00000 0.00000 64.00000 SHO1_1QKX-23_17.PDB 33.16000 -39.82000 -13.13000 -65.81000 -1.14000 83.88000 -83.22000 21.34000 35.18000 96.62000 0.00000 0.00000 0.00000 3.10000 16.98000 0.00000 -2.69000 0.00000 -1.15000 0.00000 0.00000 64.00000 SHO1_1QKX-23_18.PDB 33.83000 -39.02000 -12.59000 -66.19000 -0.76000 84.00000 -83.63000 21.43000 34.55000 96.38000 0.00000 0.00000 0.00000 2.89000 17.08000 0.00000 -2.51000 0.00000 -0.72000 0.00000 0.00000 64.00000 SHO1_1QKX-23_19.PDB 33.68000 -39.00000 -12.60000 -66.09000 -0.57000 83.67000 -83.56000 21.40000 34.36000 96.55000 0.00000 0.00000 0.00000 3.09000 17.12000 0.00000 -2.66000 0.00000 -0.91000 0.00000 0.00000 64.00000 SHO1_1QKX-23_20.PDB 33.17000 -39.02000 -12.59000 -66.49000 -0.73000 83.91000 -84.22000 21.61000 34.99000 96.16000 0.00000 0.00000 0.00000 2.93000 17.00000 0.00000 -2.65000 0.00000 -0.74000 0.00000 0.00000 64.00000 SHO1_1QKX-23_21.PDB 33.17000 -38.99000 -12.57000 -66.15000 -0.62000 83.31000 -83.93000 21.69000 34.70000 95.85000 0.00000 0.00000 0.00000 3.06000 17.06000 0.00000 -2.44000 0.00000 -0.74000 0.00000 0.00000 64.00000 SHO1_1QKX-23_22.PDB 32.72000 -39.77000 -13.38000 -66.85000 -1.13000 85.04000 -84.29000 21.77000 36.10000 95.94000 0.00000 0.00000 0.00000 2.89000 17.16000 0.00000 -2.81000 0.00000 -0.79000 0.00000 0.00000 64.00000 SHO1_1QKX-23_23.PDB 32.91000 -38.97000 -12.56000 -65.09000 -0.77000 82.49000 -82.45000 21.25000 34.12000 95.32000 0.00000 0.00000 0.00000 2.97000 17.08000 0.00000 -2.67000 0.00000 -0.71000 0.00000 0.00000 64.00000 SHO1_1QKX-23_24.PDB 32.83000 -39.64000 -13.25000 -66.28000 -1.11000 84.44000 -83.54000 21.44000 35.74000 95.83000 0.00000 0.00000 0.00000 2.96000 17.14000 0.00000 -2.63000 0.00000 -1.13000 0.00000 0.00000 64.00000 SHO1_1QKX-23_25.PDB 33.68000 -39.05000 -12.39000 -65.57000 -0.78000 83.13000 -82.93000 21.55000 34.30000 95.78000 0.00000 0.00000 0.00000 2.87000 17.00000 0.00000 -2.59000 0.00000 -0.66000 0.00000 0.00000 64.00000 SHO1_1QKX-23_26.PDB 32.75000 -39.02000 -12.60000 -65.57000 -0.57000 82.94000 -82.98000 21.27000 34.30000 95.28000 0.00000 0.00000 0.00000 2.89000 17.07000 0.00000 -2.55000 0.00000 -0.63000 0.00000 0.00000 64.00000 SHO1_1QKX-23_27.PDB 32.66000 -39.71000 -13.28000 -66.51000 -0.70000 84.10000 -83.95000 21.69000 35.60000 95.76000 0.00000 0.00000 0.00000 3.00000 17.17000 0.00000 -2.55000 0.00000 -0.80000 0.00000 0.00000 64.00000 SHO1_1QKX-23_28.PDB 32.14000 -40.18000 -13.79000 -66.69000 -0.80000 85.00000 -84.21000 21.78000 36.02000 95.29000 0.00000 0.00000 0.00000 3.11000 17.16000 0.00000 -2.70000 0.00000 -0.69000 0.00000 0.00000 64.00000 SHO1_1QKX-23_29.PDB 32.46000 -39.77000 -13.39000 -65.63000 -1.22000 83.68000 -82.74000 21.48000 35.71000 94.67000 0.00000 0.00000 0.00000 3.00000 17.18000 0.00000 -2.50000 0.00000 -0.82000 0.00000 0.00000 64.00000 SHO1_1QKX-23_30.PDB 32.88000 -41.31000 -14.90000 -67.21000 -0.87000 85.55000 -84.88000 21.66000 37.59000 97.68000 0.00000 0.00000 0.00000 3.24000 17.20000 0.00000 -2.88000 0.00000 -0.79000 0.00000 0.00000 64.00000