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-26_1.PDB 27.24000 -39.82000 -16.70000 -66.92000 -1.40000 85.12000 -84.33000 19.26000 36.61000 97.46000 0.00000 0.00000 0.00000 2.35000 16.37000 0.00000 -2.61000 0.00000 -1.78000 0.00000 0.00000 66.00000 SHO1_1QKX-26_2.PDB 27.83000 -40.75000 -17.83000 -68.18000 -3.00000 88.18000 -85.07000 20.55000 38.87000 97.99000 0.00000 0.00000 0.00000 2.39000 16.63000 0.00000 -3.08000 0.00000 -2.22000 0.00000 0.00000 66.00000 SHO1_1QKX-26_3.PDB 28.03000 -39.05000 -14.84000 -66.33000 -1.35000 84.09000 -83.77000 19.50000 34.74000 97.10000 0.00000 0.00000 0.00000 2.22000 16.18000 0.00000 -2.60000 0.00000 -1.66000 0.00000 0.00000 66.00000 SHO1_1QKX-26_4.PDB 28.18000 -41.99000 -17.91000 -68.07000 -2.81000 89.33000 -84.69000 20.43000 38.48000 98.12000 0.00000 0.00000 0.00000 2.18000 16.64000 0.00000 -2.89000 0.00000 -2.00000 0.00000 0.00000 66.00000 SHO1_1QKX-26_5.PDB 27.46000 -40.06000 -16.03000 -67.24000 -1.31000 85.19000 -84.58000 19.38000 36.41000 97.44000 0.00000 0.00000 0.00000 2.58000 16.47000 0.00000 -2.64000 0.00000 -1.68000 0.00000 0.00000 66.00000 SHO1_1QKX-26_6.PDB 26.78000 -40.04000 -15.90000 -66.37000 -1.62000 84.57000 -83.71000 19.22000 35.85000 97.24000 0.00000 0.00000 0.00000 2.28000 16.22000 0.00000 -2.85000 0.00000 -1.89000 0.00000 0.00000 66.00000 SHO1_1QKX-26_7.PDB 27.70000 -42.95000 -18.61000 -68.08000 -2.83000 89.60000 -84.54000 20.47000 39.16000 98.22000 0.00000 0.00000 0.00000 2.19000 16.62000 0.00000 -3.00000 0.00000 -1.93000 0.00000 0.00000 66.00000 SHO1_1QKX-26_8.PDB 27.77000 -42.22000 -18.14000 -68.31000 -2.71000 89.45000 -84.87000 20.61000 38.63000 98.16000 0.00000 0.00000 0.00000 2.38000 16.68000 0.00000 -3.17000 0.00000 -2.04000 0.00000 0.00000 66.00000 SHO1_1QKX-26_9.PDB 27.34000 -39.67000 -16.55000 -66.90000 -1.57000 84.84000 -84.20000 19.24000 36.79000 97.24000 0.00000 0.00000 0.00000 2.49000 16.37000 0.00000 -2.51000 0.00000 -1.89000 0.00000 0.00000 66.00000 SHO1_1QKX-26_10.PDB 26.20000 -40.36000 -17.35000 -67.91000 -2.76000 87.20000 -84.76000 18.98000 37.78000 98.16000 0.00000 0.00000 0.00000 2.43000 16.55000 0.00000 -3.03000 0.00000 -2.18000 0.00000 0.00000 66.00000 SHO1_1QKX-26_11.PDB 25.86000 -40.13000 -17.23000 -67.70000 -2.73000 86.74000 -84.58000 19.35000 37.50000 97.45000 0.00000 0.00000 0.00000 2.42000 16.36000 0.00000 -3.10000 0.00000 -2.14000 0.00000 0.00000 66.00000 SHO1_1QKX-26_12.PDB 27.17000 -38.87000 -13.75000 -67.48000 -2.89000 85.81000 -84.59000 19.00000 35.72000 97.23000 0.00000 0.00000 0.00000 2.35000 16.39000 0.00000 -3.20000 0.00000 -2.17000 0.00000 0.00000 66.00000 SHO1_1QKX-26_13.PDB 28.04000 -39.50000 -14.46000 -67.35000 -2.64000 86.30000 -84.44000 19.00000 35.98000 97.46000 0.00000 0.00000 0.00000 2.34000 16.29000 0.00000 -2.56000 0.00000 -2.09000 0.00000 0.00000 66.00000 SHO1_1QKX-26_14.PDB 26.55000 -41.98000 -17.63000 -68.15000 -2.07000 88.41000 -84.84000 20.25000 37.32000 97.25000 0.00000 0.00000 0.00000 2.26000 16.72000 0.00000 -2.79000 0.00000 -1.48000 0.00000 0.00000 66.00000 SHO1_1QKX-26_15.PDB 26.18000 -40.70000 -18.50000 -68.00000 -1.98000 87.64000 -85.19000 20.42000 37.35000 97.39000 0.00000 0.00000 0.00000 2.33000 16.71000 0.00000 -2.95000 0.00000 -1.62000 0.00000 0.00000 66.00000 SHO1_1QKX-26_16.PDB 26.73000 -40.78000 -16.95000 -68.01000 -2.39000 87.67000 -85.03000 20.03000 37.50000 97.45000 0.00000 0.00000 0.00000 2.30000 16.52000 0.00000 -2.95000 0.00000 -2.10000 0.00000 0.00000 66.00000 SHO1_1QKX-26_17.PDB 26.73000 -40.75000 -17.17000 -68.26000 -2.42000 87.39000 -85.29000 20.04000 38.09000 97.05000 0.00000 0.00000 0.00000 2.45000 16.66000 0.00000 -2.71000 0.00000 -1.70000 0.00000 0.00000 66.00000 SHO1_1QKX-26_18.PDB 27.30000 -41.32000 -16.91000 -67.79000 -1.84000 87.80000 -84.70000 20.40000 36.59000 96.96000 0.00000 0.00000 0.00000 2.32000 16.51000 0.00000 -2.94000 0.00000 -1.27000 0.00000 0.00000 66.00000 SHO1_1QKX-26_19.PDB 28.93000 -42.27000 -16.48000 -68.73000 -3.10000 90.01000 -85.23000 20.53000 38.65000 97.98000 0.00000 0.00000 0.00000 2.36000 16.76000 0.00000 -2.74000 0.00000 -2.04000 0.00000 0.00000 66.00000 SHO1_1QKX-26_20.PDB 27.47000 -39.28000 -15.37000 -67.36000 -2.44000 86.37000 -84.44000 20.23000 35.34000 97.09000 0.00000 0.00000 0.00000 2.22000 16.53000 0.00000 -2.88000 0.00000 -2.02000 0.00000 0.00000 66.00000 SHO1_1QKX-26_21.PDB 28.24000 -43.49000 -17.39000 -68.62000 -3.06000 90.35000 -84.94000 20.05000 39.26000 98.88000 0.00000 0.00000 0.00000 2.27000 16.66000 0.00000 -3.01000 0.00000 -2.06000 0.00000 0.00000 66.00000 SHO1_1QKX-26_22.PDB 25.59000 -39.09000 -16.88000 -67.65000 -2.57000 86.90000 -84.60000 19.04000 36.25000 97.06000 0.00000 0.00000 0.00000 2.18000 16.48000 0.00000 -2.95000 0.00000 -2.10000 0.00000 0.00000 66.00000 SHO1_1QKX-26_23.PDB 27.30000 -39.96000 -16.33000 -67.92000 -2.49000 86.90000 -85.03000 20.64000 36.82000 96.93000 0.00000 0.00000 0.00000 2.48000 16.62000 0.00000 -3.10000 0.00000 -1.63000 0.00000 0.00000 66.00000 SHO1_1QKX-26_24.PDB 28.24000 -40.28000 -15.26000 -67.28000 -1.80000 85.83000 -84.61000 19.35000 37.29000 97.46000 0.00000 0.00000 0.00000 2.80000 16.39000 0.00000 -2.97000 0.00000 -2.28000 0.00000 0.00000 66.00000 SHO1_1QKX-26_25.PDB 27.48000 -40.42000 -15.02000 -66.36000 -1.55000 84.81000 -83.53000 18.77000 36.00000 97.10000 0.00000 0.00000 0.00000 2.30000 16.30000 0.00000 -2.85000 0.00000 -1.77000 0.00000 0.00000 66.00000 SHO1_1QKX-26_26.PDB 28.84000 -40.04000 -15.38000 -68.45000 -3.28000 87.96000 -85.51000 20.84000 37.75000 97.70000 0.00000 0.00000 0.00000 2.52000 16.59000 0.00000 -2.97000 0.00000 -2.31000 0.00000 0.00000 66.00000 SHO1_1QKX-26_27.PDB 29.02000 -40.53000 -15.81000 -66.71000 -1.71000 85.15000 -84.08000 20.40000 37.14000 97.24000 0.00000 0.00000 0.00000 2.26000 16.52000 0.00000 -2.58000 0.00000 -1.75000 0.00000 0.00000 66.00000 SHO1_1QKX-26_28.PDB 27.25000 -40.88000 -16.24000 -67.96000 -2.79000 88.05000 -84.80000 19.17000 37.60000 97.96000 0.00000 0.00000 0.00000 2.28000 16.41000 0.00000 -3.01000 0.00000 -2.12000 0.00000 0.00000 66.00000 SHO1_1QKX-26_29.PDB 27.42000 -38.75000 -14.18000 -66.20000 -1.32000 83.60000 -83.57000 19.01000 34.43000 96.80000 0.00000 0.00000 0.00000 2.38000 16.27000 0.00000 -2.93000 0.00000 -1.85000 0.00000 0.00000 66.00000 SHO1_1QKX-26_30.PDB 27.38000 -40.58000 -17.72000 -68.16000 -1.24000 87.36000 -85.16000 19.52000 37.59000 97.61000 0.00000 0.00000 0.00000 2.37000 16.49000 0.00000 -2.92000 0.00000 -1.31000 0.00000 0.00000 66.00000