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-29_1.PDB 27.78000 -40.75000 -15.24000 -70.19000 -3.66000 88.63000 -88.19000 23.19000 38.51000 98.67000 0.00000 0.00000 0.00000 4.07000 16.90000 0.00000 -3.45000 0.00000 -3.80000 0.00000 0.00000 67.00000 SHO1_1QKX-29_2.PDB 31.52000 -40.26000 -13.05000 -69.17000 -2.35000 86.64000 -87.62000 23.69000 36.57000 98.38000 0.00000 0.00000 0.00000 4.26000 16.61000 0.00000 -2.79000 0.00000 -2.77000 0.00000 0.00000 67.00000 SHO1_1QKX-29_3.PDB 28.59000 -40.81000 -13.55000 -70.50000 -3.61000 88.48000 -88.98000 23.41000 38.29000 97.53000 0.00000 0.00000 0.00000 5.18000 16.84000 0.00000 -3.09000 0.00000 -3.77000 0.00000 0.00000 67.00000 SHO1_1QKX-29_4.PDB 27.37000 -40.17000 -16.30000 -70.50000 -3.89000 88.81000 -88.48000 24.08000 38.31000 96.99000 0.00000 0.00000 0.00000 5.06000 16.94000 0.00000 -2.62000 0.00000 -3.92000 0.00000 0.00000 67.00000 SHO1_1QKX-29_5.PDB 31.86000 -41.75000 -15.07000 -70.66000 -3.71000 89.90000 -88.67000 24.80000 40.14000 98.97000 0.00000 0.00000 0.00000 4.71000 16.70000 0.00000 -2.97000 0.00000 -3.84000 0.00000 0.00000 67.00000 SHO1_1QKX-29_6.PDB 27.94000 -40.23000 -17.27000 -69.95000 -3.36000 87.84000 -88.02000 22.22000 39.43000 98.50000 0.00000 0.00000 0.00000 5.14000 16.91000 0.00000 -2.83000 0.00000 -3.50000 0.00000 0.00000 67.00000 SHO1_1QKX-29_7.PDB 28.46000 -39.32000 -14.05000 -70.09000 -3.04000 87.30000 -88.28000 22.67000 37.48000 97.77000 0.00000 0.00000 0.00000 4.40000 16.70000 0.00000 -3.03000 0.00000 -3.37000 0.00000 0.00000 67.00000 SHO1_1QKX-29_8.PDB 25.39000 -39.73000 -15.52000 -70.30000 -3.57000 87.88000 -88.37000 22.86000 38.22000 96.86000 0.00000 0.00000 0.00000 4.14000 16.83000 0.00000 -3.25000 0.00000 -3.82000 0.00000 0.00000 67.00000 SHO1_1QKX-29_9.PDB 27.51000 -39.56000 -14.17000 -70.03000 -3.13000 87.20000 -88.14000 22.55000 37.88000 97.50000 0.00000 0.00000 0.00000 3.95000 16.83000 0.00000 -3.24000 0.00000 -3.30000 0.00000 0.00000 67.00000 SHO1_1QKX-29_10.PDB 28.44000 -39.40000 -14.35000 -70.56000 -3.87000 88.75000 -88.21000 23.27000 38.48000 97.34000 0.00000 0.00000 0.00000 3.68000 17.16000 0.00000 -2.87000 0.00000 -3.80000 0.00000 0.00000 67.00000 SHO1_1QKX-29_11.PDB 30.16000 -41.48000 -15.10000 -70.43000 -3.22000 89.20000 -88.40000 24.43000 39.54000 98.90000 0.00000 0.00000 0.00000 3.00000 17.14000 0.00000 -3.00000 0.00000 -3.26000 0.00000 0.00000 67.00000 SHO1_1QKX-29_12.PDB 29.36000 -41.53000 -15.15000 -70.72000 -3.41000 89.39000 -88.82000 24.63000 39.14000 98.26000 0.00000 0.00000 0.00000 3.50000 16.98000 0.00000 -2.51000 0.00000 -3.43000 0.00000 0.00000 67.00000 SHO1_1QKX-29_13.PDB 29.66000 -41.24000 -16.67000 -71.11000 -3.47000 89.92000 -89.26000 24.50000 41.17000 98.31000 0.00000 0.00000 0.00000 3.98000 16.99000 0.00000 -3.04000 0.00000 -3.44000 0.00000 0.00000 67.00000 SHO1_1QKX-29_14.PDB 28.58000 -40.38000 -13.07000 -69.20000 -2.49000 86.07000 -87.39000 23.32000 36.91000 97.71000 0.00000 0.00000 0.00000 3.06000 16.82000 0.00000 -2.81000 0.00000 -3.15000 0.00000 0.00000 67.00000 SHO1_1QKX-29_15.PDB 26.37000 -39.22000 -15.49000 -70.48000 -3.89000 88.46000 -88.16000 22.32000 38.63000 97.84000 0.00000 0.00000 0.00000 3.14000 16.98000 0.00000 -2.96000 0.00000 -3.81000 0.00000 0.00000 67.00000 SHO1_1QKX-29_16.PDB 30.08000 -42.04000 -15.04000 -71.11000 -4.16000 89.98000 -88.84000 24.24000 39.99000 98.88000 0.00000 0.00000 0.00000 4.53000 17.04000 0.00000 -2.91000 0.00000 -3.44000 0.00000 0.00000 67.00000 SHO1_1QKX-29_17.PDB 25.72000 -41.39000 -17.43000 -72.11000 -6.63000 92.32000 -89.16000 26.16000 40.69000 96.90000 0.00000 0.00000 0.00000 3.74000 17.43000 0.00000 -3.22000 0.00000 -4.17000 0.00000 0.00000 67.00000 SHO1_1QKX-29_18.PDB 28.26000 -40.42000 -14.02000 -70.11000 -3.48000 87.72000 -87.91000 23.22000 37.48000 98.39000 0.00000 0.00000 0.00000 3.62000 17.03000 0.00000 -2.82000 0.00000 -3.42000 0.00000 0.00000 67.00000 SHO1_1QKX-29_19.PDB 28.25000 -39.71000 -14.75000 -70.40000 -4.61000 88.61000 -88.21000 24.53000 39.20000 96.99000 0.00000 0.00000 0.00000 3.08000 17.13000 0.00000 -3.23000 0.00000 -3.25000 0.00000 0.00000 67.00000 SHO1_1QKX-29_20.PDB 29.03000 -40.90000 -15.33000 -70.46000 -3.19000 88.47000 -88.85000 24.62000 39.01000 97.59000 0.00000 0.00000 0.00000 4.32000 16.81000 0.00000 -3.02000 0.00000 -3.23000 0.00000 0.00000 67.00000 SHO1_1QKX-29_21.PDB 25.96000 -38.63000 -13.08000 -70.38000 -3.52000 87.12000 -88.41000 22.70000 37.27000 96.51000 0.00000 0.00000 0.00000 3.41000 17.00000 0.00000 -3.21000 0.00000 -3.80000 0.00000 0.00000 67.00000 SHO1_1QKX-29_22.PDB 27.50000 -39.90000 -14.33000 -70.38000 -3.37000 88.30000 -88.22000 23.20000 38.18000 97.16000 0.00000 0.00000 0.00000 2.93000 17.11000 0.00000 -2.67000 0.00000 -3.41000 0.00000 0.00000 67.00000 SHO1_1QKX-29_23.PDB 29.55000 -41.46000 -14.36000 -70.59000 -2.84000 88.79000 -88.55000 25.09000 39.01000 97.41000 0.00000 0.00000 0.00000 3.08000 17.21000 0.00000 -2.87000 0.00000 -3.16000 0.00000 0.00000 67.00000 SHO1_1QKX-29_24.PDB 28.78000 -40.94000 -16.25000 -70.78000 -3.59000 89.20000 -89.06000 23.86000 39.51000 97.88000 0.00000 0.00000 0.00000 5.19000 16.99000 0.00000 -2.81000 0.00000 -3.42000 0.00000 0.00000 67.00000 SHO1_1QKX-29_25.PDB 28.57000 -40.88000 -15.18000 -71.15000 -3.62000 90.20000 -89.12000 24.69000 39.33000 96.99000 0.00000 0.00000 0.00000 4.08000 17.00000 0.00000 -3.23000 0.00000 -3.55000 0.00000 0.00000 67.00000 SHO1_1QKX-29_26.PDB 27.22000 -39.39000 -13.90000 -70.14000 -3.45000 86.72000 -88.29000 22.21000 37.92000 97.72000 0.00000 0.00000 0.00000 4.36000 16.94000 0.00000 -3.08000 0.00000 -3.46000 0.00000 0.00000 67.00000 SHO1_1QKX-29_27.PDB 32.05000 -40.89000 -13.64000 -69.73000 -2.75000 87.94000 -88.11000 23.98000 38.58000 98.83000 0.00000 0.00000 0.00000 3.69000 16.67000 0.00000 -3.05000 0.00000 -2.81000 0.00000 0.00000 67.00000 SHO1_1QKX-29_28.PDB 30.52000 -40.26000 -13.08000 -69.32000 -2.49000 86.26000 -88.14000 23.61000 36.83000 98.64000 0.00000 0.00000 0.00000 4.22000 16.60000 0.00000 -2.74000 0.00000 -3.02000 0.00000 0.00000 67.00000 SHO1_1QKX-29_29.PDB 28.30000 -41.38000 -16.05000 -70.45000 -2.62000 88.19000 -88.85000 25.17000 38.88000 96.67000 0.00000 0.00000 0.00000 4.18000 16.92000 0.00000 -2.36000 0.00000 -3.07000 0.00000 0.00000 67.00000 SHO1_1QKX-29_30.PDB 29.99000 -41.13000 -14.22000 -70.88000 -3.87000 90.03000 -89.28000 23.12000 40.02000 99.02000 0.00000 0.00000 0.00000 4.56000 16.84000 0.00000 -3.17000 0.00000 -4.21000 0.00000 0.00000 67.00000