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_2VKN-28_1.PDB -6.76000 -50.22000 -30.12000 -80.38000 -4.78000 105.79000 -100.49000 6.11000 49.38000 101.58000 0.00000 0.00000 1.12000 3.62000 21.65000 0.00000 -4.61000 0.00000 -3.76000 0.00000 0.00000 76.00000 SHO1_2VKN-28_2.PDB -5.31000 -49.83000 -29.70000 -81.25000 -4.54000 106.04000 -101.83000 6.12000 49.47000 102.96000 0.00000 0.00000 1.12000 3.26000 21.64000 0.00000 -3.48000 0.00000 -3.66000 0.00000 0.00000 76.00000 SHO1_2VKN-28_3.PDB -4.89000 -50.14000 -28.67000 -80.37000 -4.71000 105.14000 -100.74000 5.95000 50.35000 102.47000 0.00000 0.00000 1.12000 3.06000 21.81000 0.00000 -4.49000 0.00000 -3.85000 0.00000 0.00000 76.00000 SHO1_2VKN-28_4.PDB -5.98000 -49.90000 -29.91000 -80.05000 -4.62000 105.37000 -100.21000 5.97000 49.04000 101.62000 0.00000 0.00000 1.12000 2.99000 21.69000 0.00000 -3.68000 0.00000 -3.74000 0.00000 0.00000 76.00000 SHO1_2VKN-28_5.PDB -3.98000 -50.60000 -27.77000 -79.02000 -4.55000 104.71000 -98.90000 5.82000 47.92000 102.40000 0.00000 0.00000 1.12000 3.32000 21.55000 0.00000 -4.81000 0.00000 -3.63000 0.00000 0.00000 76.00000 SHO1_2VKN-28_6.PDB -5.37000 -49.64000 -26.53000 -81.03000 -4.92000 105.26000 -101.73000 6.04000 48.81000 103.21000 0.00000 0.00000 1.12000 3.03000 21.55000 0.00000 -4.90000 0.00000 -4.10000 0.00000 0.00000 76.00000 SHO1_2VKN-28_7.PDB -4.96000 -50.19000 -26.87000 -80.86000 -4.48000 105.51000 -101.32000 5.81000 48.70000 103.21000 0.00000 0.00000 1.12000 3.24000 21.62000 0.00000 -5.00000 0.00000 -3.83000 0.00000 0.00000 76.00000 SHO1_2VKN-28_8.PDB -3.88000 -50.46000 -30.97000 -80.72000 -5.13000 106.72000 -100.64000 6.24000 50.95000 103.66000 0.00000 0.00000 1.12000 3.60000 21.66000 0.00000 -3.98000 0.00000 -4.28000 0.00000 0.00000 76.00000 SHO1_2VKN-28_9.PDB -3.12000 -49.16000 -28.16000 -80.15000 -4.32000 104.88000 -100.48000 6.19000 48.65000 103.15000 0.00000 0.00000 1.12000 3.87000 21.92000 0.00000 -4.82000 0.00000 -3.90000 0.00000 0.00000 76.00000 SHO1_2VKN-28_10.PDB -3.93000 -49.67000 -29.45000 -80.74000 -4.41000 106.37000 -100.86000 6.09000 48.71000 103.29000 0.00000 0.00000 1.12000 3.32000 21.90000 0.00000 -4.20000 0.00000 -3.50000 0.00000 0.00000 76.00000 SHO1_2VKN-28_11.PDB -3.98000 -50.51000 -30.59000 -79.99000 -4.96000 106.44000 -99.57000 6.02000 49.92000 102.46000 0.00000 0.00000 1.12000 3.87000 21.69000 0.00000 -4.21000 0.00000 -3.98000 0.00000 0.00000 76.00000 SHO1_2VKN-28_12.PDB -2.99000 -49.52000 -28.66000 -81.79000 -4.84000 106.94000 -102.35000 6.11000 49.97000 104.76000 0.00000 0.00000 1.12000 3.82000 21.69000 0.00000 -4.27000 0.00000 -4.30000 0.00000 0.00000 76.00000 SHO1_2VKN-28_13.PDB -3.20000 -51.25000 -28.03000 -81.67000 -4.73000 107.81000 -101.80000 6.01000 49.34000 105.16000 0.00000 0.00000 1.12000 3.47000 21.99000 0.00000 -4.71000 0.00000 -3.92000 0.00000 0.00000 76.00000 SHO1_2VKN-28_14.PDB -3.13000 -49.45000 -29.37000 -80.27000 -4.97000 105.12000 -100.58000 6.16000 49.55000 103.94000 0.00000 0.00000 1.12000 3.67000 21.21000 0.00000 -4.07000 0.00000 -3.99000 0.00000 0.00000 76.00000 SHO1_2VKN-28_15.PDB -2.40000 -49.83000 -28.67000 -81.04000 -5.06000 107.71000 -100.45000 5.96000 49.03000 103.77000 0.00000 0.00000 1.12000 3.44000 21.66000 0.00000 -3.57000 0.00000 -4.81000 0.00000 0.00000 76.00000 SHO1_2VKN-28_16.PDB -2.87000 -49.90000 -28.51000 -80.78000 -4.34000 106.28000 -100.98000 6.67000 48.50000 103.47000 0.00000 0.00000 1.12000 3.59000 21.97000 0.00000 -3.88000 0.00000 -4.11000 0.00000 0.00000 76.00000 SHO1_2VKN-28_17.PDB -5.81000 -49.62000 -29.61000 -80.35000 -4.70000 104.92000 -100.92000 6.12000 49.47000 103.12000 0.00000 0.00000 1.12000 3.44000 21.91000 0.00000 -4.99000 0.00000 -3.81000 0.00000 0.00000 76.00000 SHO1_2VKN-28_18.PDB -1.33000 -51.25000 -30.04000 -80.63000 -4.37000 108.03000 -100.27000 6.95000 49.14000 104.03000 0.00000 0.00000 1.12000 3.70000 22.17000 0.00000 -3.84000 0.00000 -3.91000 0.00000 0.00000 76.00000 SHO1_2VKN-28_19.PDB -3.77000 -50.44000 -27.42000 -81.25000 -5.54000 106.77000 -101.40000 6.03000 49.32000 104.54000 0.00000 0.00000 1.12000 3.27000 21.73000 0.00000 -4.50000 0.00000 -4.27000 0.00000 0.00000 76.00000 SHO1_2VKN-28_20.PDB -4.21000 -50.34000 -26.41000 -81.67000 -4.55000 106.61000 -102.39000 5.91000 47.81000 104.88000 0.00000 0.00000 1.12000 3.32000 22.09000 0.00000 -4.82000 0.00000 -3.68000 0.00000 0.00000 76.00000 SHO1_2VKN-28_21.PDB -1.92000 -50.12000 -25.85000 -80.61000 -4.52000 105.27000 -101.25000 5.88000 48.66000 104.20000 0.00000 0.00000 1.12000 3.40000 21.78000 0.00000 -3.95000 0.00000 -4.16000 0.00000 0.00000 76.00000 SHO1_2VKN-28_22.PDB -1.24000 -49.71000 -30.22000 -80.69000 -4.38000 106.71000 -100.79000 6.23000 49.45000 105.20000 0.00000 0.00000 1.12000 3.73000 21.71000 0.00000 -4.16000 0.00000 -3.73000 0.00000 0.00000 76.00000 SHO1_2VKN-28_23.PDB -4.33000 -50.58000 -28.24000 -80.75000 -4.82000 105.90000 -101.47000 5.92000 49.42000 104.14000 0.00000 0.00000 1.12000 3.12000 21.83000 0.00000 -4.04000 0.00000 -4.05000 0.00000 0.00000 76.00000 SHO1_2VKN-28_24.PDB -4.87000 -49.90000 -28.49000 -80.64000 -6.16000 106.00000 -100.77000 6.10000 50.05000 103.21000 0.00000 0.00000 1.12000 3.46000 21.96000 0.00000 -4.49000 0.00000 -4.37000 0.00000 0.00000 76.00000 SHO1_2VKN-28_25.PDB -0.11000 -48.64000 -28.41000 -80.67000 -4.34000 105.83000 -100.61000 6.03000 48.77000 105.16000 0.00000 0.00000 1.12000 3.55000 21.79000 0.00000 -3.98000 0.00000 -3.93000 0.00000 0.00000 76.00000 SHO1_2VKN-28_26.PDB -1.83000 -50.53000 -27.29000 -80.19000 -4.94000 106.27000 -100.26000 5.91000 48.23000 104.11000 0.00000 0.00000 1.12000 3.31000 22.02000 0.00000 -3.56000 0.00000 -4.05000 0.00000 0.00000 76.00000 SHO1_2VKN-28_27.PDB -1.60000 -50.77000 -29.07000 -79.88000 -4.73000 106.96000 -99.39000 5.96000 48.92000 104.42000 0.00000 0.00000 1.12000 3.68000 21.64000 0.00000 -4.80000 0.00000 -4.04000 0.00000 0.00000 76.00000 SHO1_2VKN-28_28.PDB -4.42000 -49.32000 -28.29000 -81.01000 -4.54000 105.35000 -101.80000 6.07000 49.06000 104.73000 0.00000 0.00000 1.12000 3.22000 21.91000 0.00000 -5.08000 0.00000 -3.93000 0.00000 0.00000 76.00000 SHO1_2VKN-28_29.PDB -1.15000 -50.04000 -27.73000 -81.35000 -4.46000 107.29000 -101.36000 6.00000 48.21000 105.48000 0.00000 0.00000 1.12000 3.65000 21.99000 0.00000 -4.15000 0.00000 -3.81000 0.00000 0.00000 76.00000 SHO1_2VKN-28_30.PDB -3.01000 -50.97000 -26.76000 -80.62000 -5.45000 106.28000 -100.91000 5.77000 49.04000 104.59000 0.00000 0.00000 1.12000 3.65000 22.00000 0.00000 -4.20000 0.00000 -4.55000 0.00000 0.00000 76.00000