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-14_1.PDB -1.54000 -45.94000 -24.63000 -79.89000 -6.63000 102.18000 -101.82000 6.01000 48.01000 103.01000 0.00000 0.00000 1.12000 4.25000 22.75000 0.00000 -3.76000 0.00000 -3.47000 0.00000 0.00000 75.00000 SHO1_2VKN-14_2.PDB -1.72000 -46.83000 -27.48000 -79.25000 -5.21000 102.13000 -101.10000 7.44000 47.95000 101.79000 0.00000 0.00000 1.12000 4.35000 22.44000 0.00000 -3.58000 0.00000 -3.06000 0.00000 0.00000 75.00000 SHO1_2VKN-14_3.PDB -2.15000 -46.51000 -28.77000 -79.29000 -5.15000 102.08000 -101.21000 6.09000 48.03000 102.99000 0.00000 0.00000 1.12000 5.00000 22.39000 0.00000 -3.52000 0.00000 -3.02000 0.00000 0.00000 75.00000 SHO1_2VKN-14_4.PDB -0.55000 -46.41000 -26.13000 -78.93000 -5.24000 100.80000 -101.26000 6.16000 47.78000 103.04000 0.00000 0.00000 1.12000 4.93000 22.31000 0.00000 -3.58000 0.00000 -2.83000 0.00000 0.00000 75.00000 SHO1_2VKN-14_5.PDB -0.22000 -45.93000 -24.52000 -77.26000 -4.90000 99.97000 -98.68000 6.01000 45.71000 101.73000 0.00000 0.00000 1.12000 3.05000 22.31000 0.00000 -3.72000 0.00000 -2.80000 0.00000 0.00000 75.00000 SHO1_2VKN-14_6.PDB -0.98000 -45.90000 -24.56000 -78.71000 -4.86000 99.66000 -101.29000 6.98000 46.59000 102.53000 0.00000 0.00000 1.12000 4.56000 22.04000 0.00000 -4.02000 0.00000 -3.08000 0.00000 0.00000 75.00000 SHO1_2VKN-14_7.PDB -1.20000 -46.71000 -24.33000 -78.17000 -6.49000 101.69000 -99.31000 6.03000 45.97000 101.76000 0.00000 0.00000 1.12000 3.94000 22.26000 0.00000 -3.36000 0.00000 -3.35000 0.00000 0.00000 75.00000 SHO1_2VKN-14_8.PDB -2.50000 -46.42000 -25.21000 -79.08000 -4.93000 99.90000 -101.95000 5.89000 47.53000 102.55000 0.00000 0.00000 1.12000 5.03000 21.98000 0.00000 -4.04000 0.00000 -2.90000 0.00000 0.00000 75.00000 SHO1_2VKN-14_9.PDB -1.20000 -47.28000 -27.00000 -79.54000 -4.83000 102.25000 -102.00000 6.08000 47.67000 103.49000 0.00000 0.00000 1.12000 4.68000 22.77000 0.00000 -3.24000 0.00000 -2.60000 0.00000 0.00000 75.00000 SHO1_2VKN-14_10.PDB -1.00000 -46.41000 -26.22000 -78.35000 -4.95000 100.06000 -100.26000 6.03000 46.91000 103.49000 0.00000 0.00000 1.12000 4.21000 22.30000 0.00000 -3.73000 0.00000 -2.90000 0.00000 0.00000 75.00000 SHO1_2VKN-14_11.PDB -1.31000 -46.43000 -27.39000 -78.79000 -5.28000 101.57000 -100.33000 8.59000 46.94000 102.45000 0.00000 0.00000 1.12000 2.63000 22.84000 0.00000 -3.61000 0.00000 -2.78000 0.00000 0.00000 75.00000 SHO1_2VKN-14_12.PDB 0.23000 -45.90000 -24.67000 -78.55000 -4.40000 100.49000 -100.60000 6.84000 46.32000 102.58000 0.00000 0.00000 1.12000 3.65000 22.32000 0.00000 -3.57000 0.00000 -3.08000 0.00000 0.00000 75.00000 SHO1_2VKN-14_13.PDB -1.12000 -45.95000 -23.50000 -78.85000 -5.18000 99.67000 -101.62000 6.09000 46.40000 102.55000 0.00000 0.00000 1.12000 4.91000 22.09000 0.00000 -3.97000 0.00000 -2.80000 0.00000 0.00000 75.00000 SHO1_2VKN-14_14.PDB -1.07000 -46.72000 -26.66000 -78.39000 -4.10000 101.95000 -100.24000 7.59000 46.52000 101.56000 0.00000 0.00000 1.12000 2.74000 22.21000 0.00000 -3.47000 0.00000 -2.96000 0.00000 0.00000 75.00000 SHO1_2VKN-14_15.PDB 0.02000 -45.89000 -26.44000 -78.79000 -5.19000 101.65000 -100.31000 6.05000 46.19000 103.48000 0.00000 0.00000 1.12000 4.37000 22.71000 0.00000 -2.96000 0.00000 -3.24000 0.00000 0.00000 75.00000 SHO1_2VKN-14_16.PDB -0.34000 -46.39000 -28.20000 -78.45000 -5.06000 101.71000 -100.06000 7.07000 47.51000 103.37000 0.00000 0.00000 1.12000 3.54000 22.74000 0.00000 -3.65000 0.00000 -2.88000 0.00000 0.00000 75.00000 SHO1_2VKN-14_17.PDB -2.47000 -46.45000 -24.38000 -77.78000 -5.03000 99.01000 -99.96000 5.90000 46.21000 101.37000 0.00000 0.00000 1.12000 3.90000 21.81000 0.00000 -3.60000 0.00000 -2.78000 0.00000 0.00000 75.00000 SHO1_2VKN-14_18.PDB -1.24000 -46.47000 -27.39000 -78.43000 -5.01000 100.85000 -100.09000 6.38000 47.22000 101.98000 0.00000 0.00000 1.12000 5.12000 22.30000 0.00000 -3.65000 0.00000 -2.89000 0.00000 0.00000 75.00000 SHO1_2VKN-14_19.PDB -1.78000 -46.49000 -26.12000 -79.73000 -4.88000 101.43000 -102.37000 6.07000 46.90000 102.46000 0.00000 0.00000 1.12000 4.69000 22.14000 0.00000 -2.57000 0.00000 -2.31000 0.00000 0.00000 75.00000 SHO1_2VKN-14_20.PDB 1.18000 -46.21000 -26.53000 -77.77000 -4.39000 100.66000 -99.16000 6.93000 47.16000 102.76000 0.00000 0.00000 1.12000 3.49000 22.38000 0.00000 -3.86000 0.00000 -3.02000 0.00000 0.00000 75.00000 SHO1_2VKN-14_21.PDB -1.66000 -47.04000 -26.58000 -78.57000 -3.86000 100.34000 -101.16000 6.40000 46.54000 101.11000 0.00000 0.00000 1.12000 4.27000 21.35000 0.00000 -2.68000 0.00000 -1.55000 0.00000 0.00000 75.00000 SHO1_2VKN-14_22.PDB -1.23000 -46.77000 -25.95000 -78.69000 -4.78000 100.83000 -101.31000 6.48000 46.65000 102.37000 0.00000 0.00000 1.12000 4.92000 22.18000 0.00000 -3.44000 0.00000 -2.66000 0.00000 0.00000 75.00000 SHO1_2VKN-14_23.PDB -0.76000 -46.51000 -27.22000 -80.01000 -4.98000 102.94000 -102.13000 6.87000 48.41000 103.39000 0.00000 0.00000 1.12000 4.03000 22.30000 0.00000 -2.95000 0.00000 -3.72000 0.00000 0.00000 75.00000 SHO1_2VKN-14_24.PDB -0.96000 -47.30000 -27.03000 -79.43000 -6.73000 103.51000 -100.45000 7.28000 47.91000 103.76000 0.00000 0.00000 1.12000 3.40000 22.67000 0.00000 -3.43000 0.00000 -3.57000 0.00000 0.00000 75.00000 SHO1_2VKN-14_25.PDB -2.26000 -46.47000 -26.77000 -79.16000 -4.95000 100.19000 -101.67000 6.01000 48.05000 103.20000 0.00000 0.00000 1.12000 4.77000 22.03000 0.00000 -3.76000 0.00000 -2.82000 0.00000 0.00000 75.00000 SHO1_2VKN-14_26.PDB 0.33000 -46.88000 -24.62000 -79.52000 -4.32000 101.78000 -102.27000 6.81000 46.01000 102.89000 0.00000 0.00000 1.12000 4.22000 22.37000 0.00000 -2.85000 0.00000 -2.04000 0.00000 0.00000 75.00000 SHO1_2VKN-14_27.PDB -2.15000 -45.94000 -25.96000 -78.15000 -5.34000 100.97000 -99.68000 5.75000 45.85000 101.67000 0.00000 0.00000 1.12000 3.85000 22.46000 0.00000 -3.32000 0.00000 -2.99000 0.00000 0.00000 75.00000 SHO1_2VKN-14_28.PDB -2.25000 -46.50000 -28.61000 -78.78000 -4.34000 102.16000 -100.30000 6.96000 47.58000 101.97000 0.00000 0.00000 1.12000 3.04000 22.57000 0.00000 -3.68000 0.00000 -2.87000 0.00000 0.00000 75.00000 SHO1_2VKN-14_29.PDB 0.76000 -45.91000 -24.69000 -78.28000 -6.18000 101.22000 -99.88000 6.10000 46.90000 102.26000 0.00000 0.00000 1.12000 4.79000 21.73000 0.00000 -2.69000 0.00000 -3.99000 0.00000 0.00000 75.00000 SHO1_2VKN-14_30.PDB 1.71000 -47.35000 -24.34000 -78.69000 -4.77000 101.20000 -100.38000 7.34000 46.61000 103.60000 0.00000 0.00000 1.12000 3.64000 22.28000 0.00000 -3.58000 0.00000 -2.70000 0.00000 0.00000 75.00000