name Intraclash total energy Backbone Hbond 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-10_1.PDB 1.22237 -10.47000 -2.78000 -4.03000 -8.48000 -4.71000 13.04000 -8.91000 0.75000 6.36000 1.60000 0.00000 0.00000 0.00000 0.09000 0.56000 0.00000 -0.20000 0.00000 -3.21000 0.00000 2.38000 74.00000 SHO1_2VKN-10_2.PDB 1.19491 -12.35000 -2.78000 -5.69000 -8.53000 -4.67000 12.67000 -9.06000 0.22000 6.97000 2.23000 0.00000 0.00000 0.00000 0.11000 0.79000 0.00000 -0.70000 0.00000 -3.12000 0.00000 2.38000 74.00000 SHO1_2VKN-10_3.PDB 1.50868 -11.91000 -2.89000 -4.29000 -8.04000 -3.33000 10.82000 -8.87000 1.08000 5.88000 1.73000 0.00000 0.00000 0.00000 0.10000 0.63000 0.00000 -1.45000 0.00000 -2.66000 0.00000 2.38000 74.00000 SHO1_2VKN-10_4.PDB 1.23714 -10.47000 -2.79000 -4.22000 -7.80000 -3.18000 10.65000 -8.60000 1.09000 5.82000 1.84000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.69000 0.00000 -2.65000 0.00000 2.38000 74.00000 SHO1_2VKN-10_5.PDB 1.12334 -10.50000 -2.82000 -4.27000 -8.35000 -3.24000 11.05000 -9.17000 1.27000 6.61000 1.72000 0.00000 0.00000 0.00000 0.09000 0.55000 0.00000 -0.84000 0.00000 -2.54000 0.00000 2.38000 74.00000 SHO1_2VKN-10_6.PDB 1.27269 -11.21000 -2.75000 -4.03000 -8.31000 -3.93000 12.18000 -8.94000 0.55000 6.13000 1.73000 0.00000 0.00000 0.00000 0.08000 0.64000 0.00000 -0.98000 0.00000 -2.95000 0.00000 2.38000 74.00000 SHO1_2VKN-10_7.PDB 1.86101 -11.04000 -2.76000 -4.12000 -8.19000 -4.10000 12.12000 -8.73000 1.00000 5.64000 1.85000 0.00000 0.00000 0.00000 0.12000 0.55000 0.00000 -0.89000 0.00000 -2.99000 0.00000 2.38000 74.00000 SHO1_2VKN-10_8.PDB 1.28894 -11.16000 -2.74000 -3.95000 -7.88000 -3.26000 10.86000 -8.79000 0.88000 5.57000 1.71000 0.00000 0.00000 0.00000 0.08000 0.54000 0.00000 -1.28000 0.00000 -2.37000 0.00000 2.38000 74.00000 SHO1_2VKN-10_9.PDB 1.47690 -11.25000 -2.75000 -4.68000 -8.49000 -4.68000 12.80000 -8.82000 1.35000 5.99000 1.64000 0.00000 0.00000 0.00000 0.13000 0.53000 0.00000 -0.53000 0.00000 -3.22000 0.00000 2.38000 74.00000 SHO1_2VKN-10_10.PDB 1.15948 -11.36000 -2.64000 -4.33000 -8.31000 -3.73000 11.92000 -9.01000 0.33000 6.33000 1.85000 0.00000 0.00000 0.00000 0.09000 0.59000 0.00000 -0.98000 0.00000 -2.89000 0.00000 2.38000 74.00000 SHO1_2VKN-10_11.PDB 1.38348 -11.76000 -2.82000 -5.07000 -8.19000 -4.15000 12.22000 -8.63000 0.75000 6.12000 1.83000 0.00000 0.00000 0.00000 0.09000 0.47000 0.00000 -0.90000 0.00000 -3.02000 0.00000 2.38000 74.00000 SHO1_2VKN-10_12.PDB 1.11700 -11.30000 -2.18000 -6.76000 -8.23000 -3.94000 11.73000 -8.79000 1.66000 6.85000 2.08000 0.00000 0.00000 0.00000 0.08000 0.62000 0.00000 -0.80000 0.00000 -2.99000 0.00000 2.38000 74.00000 SHO1_2VKN-10_13.PDB 1.13370 -11.58000 -2.63000 -4.75000 -8.09000 -3.39000 11.30000 -8.99000 0.73000 5.68000 1.76000 0.00000 0.00000 0.00000 0.11000 0.47000 0.00000 -0.85000 0.00000 -2.46000 0.00000 2.38000 74.00000 SHO1_2VKN-10_14.PDB 1.47661 -10.94000 -2.77000 -4.96000 -8.01000 -3.55000 11.98000 -8.80000 0.35000 6.15000 1.80000 0.00000 0.00000 0.00000 0.13000 0.61000 0.00000 -0.72000 0.00000 -2.56000 0.00000 2.38000 74.00000 SHO1_2VKN-10_15.PDB 1.21039 -11.05000 -2.65000 -4.36000 -8.15000 -3.77000 11.77000 -8.83000 0.44000 6.24000 1.91000 0.00000 0.00000 0.00000 0.08000 0.54000 0.00000 -0.88000 0.00000 -2.85000 0.00000 2.38000 74.00000 SHO1_2VKN-10_16.PDB 1.10940 -11.14000 -2.74000 -4.56000 -8.47000 -4.26000 12.43000 -9.00000 0.45000 6.68000 1.81000 0.00000 0.00000 0.00000 0.10000 0.59000 0.00000 -0.63000 0.00000 -2.97000 0.00000 2.38000 74.00000 SHO1_2VKN-10_17.PDB 1.29917 -10.82000 -2.79000 -5.25000 -8.62000 -3.96000 12.69000 -9.05000 1.21000 6.27000 2.07000 0.00000 0.00000 0.00000 0.12000 0.62000 0.00000 -0.73000 0.00000 -2.79000 0.00000 2.38000 74.00000 SHO1_2VKN-10_18.PDB 1.23515 -11.72000 -2.82000 -4.40000 -8.41000 -4.48000 12.20000 -8.85000 1.15000 6.42000 1.66000 0.00000 0.00000 0.00000 0.08000 0.52000 0.00000 -1.16000 0.00000 -3.11000 0.00000 2.38000 74.00000 SHO1_2VKN-10_19.PDB 1.11660 -11.71000 -2.80000 -4.37000 -8.00000 -4.15000 11.64000 -8.56000 1.05000 5.58000 1.84000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.94000 0.00000 -3.07000 0.00000 2.38000 74.00000 SHO1_2VKN-10_20.PDB 1.12523 -11.27000 -2.84000 -5.07000 -7.97000 -3.30000 11.35000 -8.78000 1.10000 5.68000 1.83000 0.00000 0.00000 0.00000 0.10000 0.49000 0.00000 -0.98000 0.00000 -2.40000 0.00000 2.38000 74.00000 SHO1_2VKN-10_21.PDB 1.18413 -10.31000 -2.73000 -5.37000 -8.30000 -3.67000 12.08000 -8.78000 0.86000 6.30000 2.46000 0.00000 0.00000 0.00000 0.10000 0.60000 0.00000 -0.65000 0.00000 -2.61000 0.00000 2.38000 74.00000 SHO1_2VKN-10_22.PDB 1.13286 -12.51000 -2.75000 -5.04000 -8.23000 -4.23000 11.94000 -8.77000 0.51000 6.29000 1.84000 0.00000 0.00000 0.00000 0.06000 0.59000 0.00000 -1.05000 0.00000 -3.08000 0.00000 2.38000 74.00000 SHO1_2VKN-10_23.PDB 1.20011 -11.27000 -2.76000 -4.82000 -8.24000 -3.95000 11.83000 -8.88000 1.21000 6.18000 1.82000 0.00000 0.00000 0.00000 0.09000 0.51000 0.00000 -0.76000 0.00000 -3.00000 0.00000 2.38000 74.00000 SHO1_2VKN-10_24.PDB 1.51971 -10.43000 -2.73000 -5.34000 -8.21000 -2.96000 12.08000 -9.00000 0.58000 5.99000 2.17000 0.00000 0.00000 0.00000 0.10000 0.65000 0.00000 -0.96000 0.00000 -2.16000 0.00000 2.38000 74.00000 SHO1_2VKN-10_25.PDB 1.06360 -10.88000 -2.77000 -5.69000 -8.04000 -2.68000 11.20000 -8.95000 0.69000 5.80000 2.29000 0.00000 0.00000 0.00000 0.11000 0.61000 0.00000 -0.75000 0.00000 -2.10000 0.00000 2.38000 74.00000 SHO1_2VKN-10_26.PDB 1.11357 -11.94000 -2.78000 -5.16000 -8.11000 -3.84000 11.43000 -8.85000 1.22000 6.11000 1.66000 0.00000 0.00000 0.00000 0.09000 0.55000 0.00000 -0.89000 0.00000 -2.85000 0.00000 2.38000 74.00000 SHO1_2VKN-10_27.PDB 1.14981 -11.37000 -2.80000 -4.18000 -8.00000 -3.62000 11.65000 -8.82000 0.79000 5.33000 1.80000 0.00000 0.00000 0.00000 0.09000 0.50000 0.00000 -1.04000 0.00000 -2.57000 0.00000 2.38000 74.00000 SHO1_2VKN-10_28.PDB 1.18405 -10.40000 -2.19000 -5.20000 -7.93000 -3.52000 11.23000 -8.82000 1.63000 5.91000 1.84000 0.00000 0.00000 0.00000 0.11000 0.56000 0.00000 -0.92000 0.00000 -2.53000 0.00000 2.38000 74.00000 SHO1_2VKN-10_29.PDB 1.15663 -11.49000 -2.77000 -5.03000 -8.29000 -4.35000 12.75000 -8.82000 0.82000 6.05000 1.92000 0.00000 0.00000 0.00000 0.08000 0.63000 0.00000 -0.79000 0.00000 -3.06000 0.00000 2.38000 74.00000 SHO1_2VKN-10_30.PDB 1.29019 -11.62000 -2.74000 -4.71000 -8.17000 -3.76000 11.69000 -8.91000 1.20000 5.76000 1.92000 0.00000 0.00000 0.00000 0.11000 0.65000 0.00000 -1.12000 0.00000 -2.87000 0.00000 2.38000 74.00000