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-22_1.PDB 34.69000 -39.01000 -17.02000 -67.95000 -2.60000 87.47000 -85.31000 24.57000 39.45000 98.32000 0.00000 0.00000 0.00000 2.27000 20.28000 0.00000 -3.22000 0.00000 -2.28000 0.00000 0.00000 64.00000 SHO1_1QKX-22_2.PDB 34.90000 -39.00000 -16.72000 -67.57000 -2.75000 88.93000 -84.20000 22.92000 39.18000 98.90000 0.00000 0.00000 0.00000 2.09000 20.24000 0.00000 -4.08000 0.00000 -2.80000 0.00000 0.00000 64.00000 SHO1_1QKX-22_3.PDB 34.29000 -37.49000 -16.73000 -67.18000 -2.77000 87.45000 -84.29000 21.98000 38.19000 98.77000 0.00000 0.00000 0.00000 3.00000 20.02000 0.00000 -4.13000 0.00000 -2.52000 0.00000 0.00000 64.00000 SHO1_1QKX-22_4.PDB 33.62000 -39.04000 -16.03000 -67.85000 -2.45000 87.98000 -84.95000 23.21000 38.25000 99.02000 0.00000 0.00000 0.00000 2.04000 20.33000 0.00000 -4.25000 0.00000 -2.32000 0.00000 0.00000 64.00000 SHO1_1QKX-22_5.PDB 35.51000 -39.05000 -17.07000 -67.39000 -2.64000 87.28000 -84.48000 23.29000 39.24000 98.79000 0.00000 0.00000 0.00000 3.02000 20.03000 0.00000 -3.15000 0.00000 -2.34000 0.00000 0.00000 64.00000 SHO1_1QKX-22_6.PDB 35.00000 -38.18000 -14.49000 -66.09000 -2.25000 85.32000 -82.87000 21.35000 37.75000 97.91000 0.00000 0.00000 0.00000 2.30000 19.76000 0.00000 -3.33000 0.00000 -2.43000 0.00000 0.00000 64.00000 SHO1_1QKX-22_7.PDB 31.91000 -38.16000 -14.96000 -68.60000 -2.88000 87.82000 -85.66000 21.70000 37.62000 98.38000 0.00000 0.00000 0.00000 2.82000 20.24000 0.00000 -3.74000 0.00000 -2.42000 0.00000 0.00000 64.00000 SHO1_1QKX-22_8.PDB 31.36000 -37.47000 -16.80000 -67.22000 -2.38000 86.16000 -84.43000 20.87000 38.30000 98.14000 0.00000 0.00000 0.00000 2.46000 20.18000 0.00000 -3.94000 0.00000 -2.31000 0.00000 0.00000 64.00000 SHO1_1QKX-22_9.PDB 34.04000 -39.04000 -16.29000 -66.41000 -2.22000 86.85000 -82.91000 20.54000 38.74000 98.41000 0.00000 0.00000 0.00000 3.10000 19.69000 0.00000 -4.08000 0.00000 -2.64000 0.00000 0.00000 64.00000 SHO1_1QKX-22_10.PDB 31.50000 -39.02000 -15.80000 -68.30000 -2.51000 88.31000 -85.34000 20.93000 38.08000 98.97000 0.00000 0.00000 0.00000 2.62000 20.13000 0.00000 -3.94000 0.00000 -2.49000 0.00000 0.00000 64.00000 SHO1_1QKX-22_11.PDB 32.05000 -38.19000 -16.64000 -68.69000 -3.09000 88.14000 -85.87000 21.98000 39.52000 98.69000 0.00000 0.00000 0.00000 2.47000 20.45000 0.00000 -3.58000 0.00000 -2.69000 0.00000 0.00000 64.00000 SHO1_1QKX-22_12.PDB 32.98000 -38.13000 -15.61000 -66.37000 -2.56000 85.91000 -83.04000 20.84000 37.62000 97.87000 0.00000 0.00000 0.00000 2.25000 19.71000 0.00000 -3.28000 0.00000 -2.52000 0.00000 0.00000 64.00000 SHO1_1QKX-22_13.PDB 32.75000 -38.40000 -16.68000 -67.36000 -2.57000 87.56000 -84.20000 20.55000 38.80000 98.74000 0.00000 0.00000 0.00000 2.14000 20.11000 0.00000 -3.40000 0.00000 -2.44000 0.00000 0.00000 64.00000 SHO1_1QKX-22_14.PDB 31.59000 -38.71000 -18.24000 -68.76000 -4.05000 90.30000 -85.37000 19.97000 40.69000 99.57000 0.00000 0.00000 0.00000 3.07000 20.31000 0.00000 -4.16000 0.00000 -2.72000 0.00000 0.00000 64.00000 SHO1_1QKX-22_15.PDB 33.05000 -37.56000 -14.51000 -66.70000 -3.27000 86.96000 -83.12000 20.14000 36.23000 98.54000 0.00000 0.00000 0.00000 2.38000 19.77000 0.00000 -3.41000 0.00000 -2.61000 0.00000 0.00000 64.00000 SHO1_1QKX-22_16.PDB 33.70000 -38.14000 -14.86000 -67.78000 -2.55000 87.35000 -84.79000 21.89000 37.41000 98.89000 0.00000 0.00000 0.00000 3.02000 20.13000 0.00000 -4.22000 0.00000 -2.52000 0.00000 0.00000 64.00000 SHO1_1QKX-22_17.PDB 34.33000 -38.23000 -16.30000 -66.23000 -2.54000 86.06000 -82.74000 20.34000 37.81000 98.53000 0.00000 0.00000 0.00000 3.30000 19.60000 0.00000 -3.18000 0.00000 -2.48000 0.00000 0.00000 64.00000 SHO1_1QKX-22_18.PDB 33.65000 -38.99000 -16.84000 -66.07000 -1.90000 86.08000 -82.75000 20.48000 38.19000 98.50000 0.00000 0.00000 0.00000 2.44000 19.59000 0.00000 -3.18000 0.00000 -2.31000 0.00000 0.00000 64.00000 SHO1_1QKX-22_19.PDB 32.80000 -38.38000 -15.03000 -68.88000 -3.08000 88.74000 -85.99000 22.22000 38.49000 98.12000 0.00000 0.00000 0.00000 2.83000 20.46000 0.00000 -3.60000 0.00000 -2.64000 0.00000 0.00000 64.00000 SHO1_1QKX-22_20.PDB 34.03000 -38.23000 -15.96000 -66.89000 -3.04000 86.85000 -83.39000 21.89000 37.93000 98.50000 0.00000 0.00000 0.00000 2.37000 19.81000 0.00000 -3.37000 0.00000 -2.64000 0.00000 0.00000 64.00000 SHO1_1QKX-22_21.PDB 34.56000 -39.11000 -16.09000 -67.91000 -2.41000 88.12000 -84.92000 22.98000 38.36000 99.00000 0.00000 0.00000 0.00000 2.35000 20.22000 0.00000 -3.43000 0.00000 -2.37000 0.00000 0.00000 64.00000 SHO1_1QKX-22_22.PDB 32.76000 -38.22000 -15.88000 -67.56000 -2.33000 87.16000 -84.50000 19.81000 38.23000 98.82000 0.00000 0.00000 0.00000 3.15000 20.09000 0.00000 -3.75000 0.00000 -2.19000 0.00000 0.00000 64.00000 SHO1_1QKX-22_23.PDB 32.21000 -37.55000 -15.93000 -67.15000 -2.70000 86.21000 -84.26000 20.59000 37.58000 98.76000 0.00000 0.00000 0.00000 2.39000 20.05000 0.00000 -3.59000 0.00000 -2.15000 0.00000 0.00000 64.00000 SHO1_1QKX-22_24.PDB 34.63000 -39.03000 -15.77000 -69.72000 -2.98000 89.71000 -87.17000 22.99000 40.64000 99.43000 0.00000 0.00000 0.00000 2.50000 20.35000 0.00000 -3.57000 0.00000 -2.40000 0.00000 0.00000 64.00000 SHO1_1QKX-22_25.PDB 34.25000 -38.40000 -15.69000 -67.89000 -3.18000 87.96000 -84.72000 19.78000 38.95000 99.19000 0.00000 0.00000 0.00000 4.06000 20.06000 0.00000 -3.47000 0.00000 -2.34000 0.00000 0.00000 64.00000 SHO1_1QKX-22_26.PDB 34.07000 -38.18000 -13.88000 -66.11000 -1.98000 85.14000 -83.05000 19.52000 37.38000 98.40000 0.00000 0.00000 0.00000 2.39000 19.79000 0.00000 -3.43000 0.00000 -2.12000 0.00000 0.00000 64.00000 SHO1_1QKX-22_27.PDB 32.02000 -38.14000 -14.73000 -67.42000 -3.09000 87.00000 -84.33000 20.27000 38.20000 98.75000 0.00000 0.00000 0.00000 2.53000 20.10000 0.00000 -4.21000 0.00000 -2.82000 0.00000 0.00000 64.00000 SHO1_1QKX-22_28.PDB 33.21000 -38.24000 -17.29000 -67.53000 -2.59000 88.68000 -84.51000 21.29000 38.59000 98.94000 0.00000 0.00000 0.00000 2.22000 20.15000 0.00000 -3.96000 0.00000 -2.39000 0.00000 0.00000 64.00000 SHO1_1QKX-22_29.PDB 32.36000 -38.13000 -16.18000 -67.10000 -2.58000 86.27000 -84.19000 21.01000 37.96000 98.80000 0.00000 0.00000 0.00000 2.33000 19.86000 0.00000 -3.28000 0.00000 -2.55000 0.00000 0.00000 64.00000 SHO1_1QKX-22_30.PDB 33.75000 -38.13000 -16.01000 -68.04000 -2.19000 87.37000 -85.05000 20.70000 38.89000 99.13000 0.00000 0.00000 0.00000 2.43000 19.73000 0.00000 -3.27000 0.00000 -2.08000 0.00000 0.00000 64.00000