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-12_1.PDB 32.96000 -37.25000 -13.75000 -64.07000 -2.62000 82.74000 -79.83000 18.53000 33.50000 95.52000 0.00000 0.00000 0.00000 4.22000 17.09000 0.00000 -2.21000 0.00000 -1.81000 0.00000 0.00000 65.00000 SHO1_1QKX-12_2.PDB 34.39000 -37.78000 -14.96000 -64.25000 -2.96000 83.70000 -79.96000 20.17000 34.73000 95.63000 0.00000 0.00000 0.00000 4.12000 17.15000 0.00000 -2.14000 0.00000 -1.89000 0.00000 0.00000 65.00000 SHO1_1QKX-12_3.PDB 31.22000 -36.02000 -12.12000 -64.77000 -3.57000 83.10000 -80.40000 18.16000 33.75000 95.23000 0.00000 0.00000 0.00000 3.49000 17.11000 0.00000 -2.88000 0.00000 -2.76000 0.00000 0.00000 65.00000 SHO1_1QKX-12_4.PDB 33.83000 -37.02000 -12.83000 -64.24000 -3.34000 83.32000 -79.95000 19.50000 34.67000 95.18000 0.00000 0.00000 0.00000 3.22000 17.11000 0.00000 -2.70000 0.00000 -1.98000 0.00000 0.00000 65.00000 SHO1_1QKX-12_5.PDB 34.88000 -36.34000 -12.45000 -64.41000 -1.55000 82.71000 -80.26000 18.26000 34.18000 95.24000 0.00000 0.00000 0.00000 3.47000 17.35000 0.00000 -2.63000 0.00000 -1.35000 0.00000 0.00000 65.00000 SHO1_1QKX-12_6.PDB 32.75000 -38.15000 -14.11000 -64.00000 -3.00000 83.26000 -79.93000 20.16000 34.81000 95.02000 0.00000 0.00000 0.00000 3.06000 17.03000 0.00000 -2.80000 0.00000 -1.57000 0.00000 0.00000 65.00000 SHO1_1QKX-12_7.PDB 34.03000 -37.99000 -14.50000 -64.36000 -3.16000 83.86000 -79.96000 20.82000 34.69000 95.72000 0.00000 0.00000 0.00000 3.15000 17.14000 0.00000 -2.17000 0.00000 -2.06000 0.00000 0.00000 65.00000 SHO1_1QKX-12_8.PDB 30.12000 -36.21000 -11.77000 -66.45000 -3.33000 83.86000 -83.06000 18.99000 34.03000 95.23000 0.00000 0.00000 0.00000 4.50000 17.24000 0.00000 -3.48000 0.00000 -2.18000 0.00000 0.00000 65.00000 SHO1_1QKX-12_9.PDB 31.66000 -36.93000 -13.45000 -64.44000 -2.94000 82.74000 -80.22000 18.33000 33.64000 95.81000 0.00000 0.00000 0.00000 4.07000 17.06000 0.00000 -2.68000 0.00000 -2.26000 0.00000 0.00000 65.00000 SHO1_1QKX-12_10.PDB 34.28000 -37.75000 -14.08000 -64.00000 -2.71000 83.29000 -79.81000 19.36000 34.35000 95.52000 0.00000 0.00000 0.00000 3.84000 17.04000 0.00000 -2.22000 0.00000 -1.51000 0.00000 0.00000 65.00000 SHO1_1QKX-12_11.PDB 33.36000 -37.74000 -14.30000 -64.33000 -2.91000 83.60000 -80.19000 19.27000 34.57000 95.57000 0.00000 0.00000 0.00000 3.93000 17.16000 0.00000 -2.59000 0.00000 -1.51000 0.00000 0.00000 65.00000 SHO1_1QKX-12_12.PDB 33.45000 -38.35000 -14.60000 -64.32000 -3.19000 83.88000 -80.16000 19.54000 35.08000 95.82000 0.00000 0.00000 0.00000 4.26000 17.10000 0.00000 -2.36000 0.00000 -2.17000 0.00000 0.00000 65.00000 SHO1_1QKX-12_13.PDB 33.72000 -37.75000 -14.19000 -64.46000 -3.01000 83.78000 -80.32000 19.55000 34.63000 95.70000 0.00000 0.00000 0.00000 4.19000 17.10000 0.00000 -2.40000 0.00000 -1.99000 0.00000 0.00000 65.00000 SHO1_1QKX-12_14.PDB 33.15000 -37.69000 -15.00000 -64.50000 -3.26000 83.67000 -80.38000 21.40000 34.99000 94.90000 0.00000 0.00000 0.00000 2.98000 17.11000 0.00000 -2.29000 0.00000 -1.65000 0.00000 0.00000 65.00000 SHO1_1QKX-12_15.PDB 31.54000 -36.08000 -12.05000 -64.52000 -2.95000 82.72000 -80.28000 17.61000 33.46000 95.13000 0.00000 0.00000 0.00000 3.65000 17.07000 0.00000 -2.89000 0.00000 -2.26000 0.00000 0.00000 65.00000 SHO1_1QKX-12_16.PDB 30.67000 -36.89000 -13.37000 -63.65000 -2.93000 81.69000 -79.77000 17.93000 33.37000 94.66000 0.00000 0.00000 0.00000 3.67000 16.91000 0.00000 -2.21000 0.00000 -1.83000 0.00000 0.00000 65.00000 SHO1_1QKX-12_17.PDB 34.28000 -37.89000 -14.33000 -64.14000 -2.84000 83.48000 -79.73000 19.46000 34.55000 95.71000 0.00000 0.00000 0.00000 4.09000 17.12000 0.00000 -2.27000 0.00000 -1.80000 0.00000 0.00000 65.00000 SHO1_1QKX-12_18.PDB 33.14000 -37.70000 -13.99000 -63.98000 -2.87000 83.52000 -79.90000 19.63000 34.47000 94.58000 0.00000 0.00000 0.00000 2.96000 16.97000 0.00000 -2.16000 0.00000 -1.44000 0.00000 0.00000 65.00000 SHO1_1QKX-12_19.PDB 33.81000 -36.95000 -13.30000 -64.60000 -2.93000 84.12000 -80.08000 19.65000 34.46000 95.02000 0.00000 0.00000 0.00000 3.45000 17.08000 0.00000 -3.08000 0.00000 -1.96000 0.00000 0.00000 65.00000 SHO1_1QKX-12_20.PDB 31.20000 -36.11000 -12.52000 -64.81000 -3.13000 83.24000 -80.45000 18.34000 33.95000 95.56000 0.00000 0.00000 0.00000 3.11000 17.11000 0.00000 -3.22000 0.00000 -2.77000 0.00000 0.00000 65.00000 SHO1_1QKX-12_21.PDB 32.87000 -37.84000 -13.89000 -64.14000 -2.70000 83.14000 -80.12000 19.49000 34.45000 94.75000 0.00000 0.00000 0.00000 3.85000 17.08000 0.00000 -2.73000 0.00000 -1.39000 0.00000 0.00000 65.00000 SHO1_1QKX-12_22.PDB 34.63000 -38.17000 -14.41000 -64.36000 -2.73000 83.48000 -80.27000 20.07000 34.96000 96.04000 0.00000 0.00000 0.00000 4.15000 17.08000 0.00000 -2.44000 0.00000 -1.68000 0.00000 0.00000 65.00000 SHO1_1QKX-12_23.PDB 35.23000 -37.59000 -13.35000 -64.87000 -2.59000 84.75000 -80.24000 20.25000 35.04000 95.68000 0.00000 0.00000 0.00000 3.16000 17.20000 0.00000 -3.07000 0.00000 -1.95000 0.00000 0.00000 65.00000 SHO1_1QKX-12_24.PDB 33.18000 -37.71000 -14.17000 -63.96000 -2.91000 83.08000 -79.78000 19.85000 34.43000 94.82000 0.00000 0.00000 0.00000 3.28000 17.00000 0.00000 -2.16000 0.00000 -1.59000 0.00000 0.00000 65.00000 SHO1_1QKX-12_25.PDB 37.27000 -36.62000 -13.93000 -66.78000 -3.63000 85.27000 -83.33000 24.74000 35.44000 96.65000 0.00000 0.00000 0.00000 3.92000 17.53000 0.00000 -2.41000 0.00000 -2.04000 0.00000 0.00000 65.00000 SHO1_1QKX-12_26.PDB 31.37000 -36.15000 -12.72000 -64.94000 -3.31000 83.82000 -80.38000 17.84000 33.77000 95.26000 0.00000 0.00000 0.00000 3.08000 17.25000 0.00000 -2.74000 0.00000 -2.17000 0.00000 0.00000 65.00000 SHO1_1QKX-12_27.PDB 30.70000 -36.07000 -11.47000 -66.82000 -4.71000 84.37000 -83.24000 19.60000 35.34000 95.31000 0.00000 0.00000 0.00000 3.90000 17.19000 0.00000 -2.92000 0.00000 -2.59000 0.00000 0.00000 65.00000 SHO1_1QKX-12_28.PDB 34.34000 -37.14000 -13.12000 -64.52000 -3.16000 83.36000 -80.22000 20.74000 34.61000 95.44000 0.00000 0.00000 0.00000 3.06000 17.17000 0.00000 -2.77000 0.00000 -1.94000 0.00000 0.00000 65.00000 SHO1_1QKX-12_29.PDB 31.77000 -36.91000 -13.48000 -64.39000 -3.33000 82.99000 -80.08000 19.11000 34.02000 95.69000 0.00000 0.00000 0.00000 3.06000 17.14000 0.00000 -2.41000 0.00000 -2.50000 0.00000 0.00000 65.00000 SHO1_1QKX-12_30.PDB 34.05000 -37.84000 -12.66000 -65.98000 -1.47000 83.52000 -83.01000 20.17000 34.98000 96.06000 0.00000 0.00000 0.00000 4.46000 17.29000 0.00000 -3.11000 0.00000 -1.08000 0.00000 0.00000 65.00000