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-20_1.PDB 1.72730 -13.61000 -1.13000 -4.11000 -9.91000 -3.74000 11.97000 -12.50000 0.53000 5.66000 3.55000 0.00000 0.00000 0.00000 0.07000 0.48000 0.00000 -0.75000 0.00000 -3.24000 0.00000 2.38000 75.00000 SHO1_2VKN-20_2.PDB 1.98108 -15.13000 -1.18000 -4.11000 -10.92000 -3.55000 12.49000 -13.87000 0.56000 6.41000 3.16000 0.00000 0.00000 0.00000 0.10000 0.65000 0.00000 -0.95000 0.00000 -3.27000 0.00000 2.38000 75.00000 SHO1_2VKN-20_3.PDB 1.97390 -12.27000 -1.88000 -2.38000 -9.79000 -3.28000 11.73000 -12.01000 0.50000 6.22000 3.48000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -1.66000 0.00000 -3.27000 0.00000 2.38000 75.00000 SHO1_2VKN-20_4.PDB 2.21473 -14.78000 -1.98000 -4.99000 -10.98000 -3.81000 13.19000 -13.49000 0.60000 7.43000 3.42000 0.00000 0.00000 0.00000 0.07000 0.59000 0.00000 -0.92000 0.00000 -3.33000 0.00000 2.38000 75.00000 SHO1_2VKN-20_5.PDB 1.76858 -13.23000 -1.09000 -2.63000 -10.39000 -3.90000 12.09000 -12.96000 0.51000 6.06000 3.64000 0.00000 0.00000 0.00000 0.09000 0.48000 0.00000 -1.18000 0.00000 -3.46000 0.00000 2.38000 75.00000 SHO1_2VKN-20_6.PDB 2.35313 -14.57000 -1.96000 -5.00000 -10.45000 -4.06000 12.99000 -12.40000 0.57000 7.85000 3.82000 0.00000 0.00000 0.00000 0.10000 0.48000 0.00000 -2.44000 0.00000 -3.59000 0.00000 2.38000 75.00000 SHO1_2VKN-20_7.PDB 1.85778 -14.51000 -1.09000 -4.13000 -11.37000 -2.25000 11.98000 -14.99000 0.72000 6.66000 3.21000 0.00000 0.00000 0.00000 0.08000 0.61000 0.00000 -0.98000 0.00000 -2.34000 0.00000 2.38000 75.00000 SHO1_2VKN-20_8.PDB 1.71937 -12.96000 -1.13000 -4.10000 -10.34000 -2.15000 11.71000 -13.33000 0.55000 5.67000 3.25000 0.00000 0.00000 0.00000 0.09000 0.47000 0.00000 -0.87000 0.00000 -2.29000 0.00000 2.38000 75.00000 SHO1_2VKN-20_9.PDB 1.99034 -13.56000 -1.04000 -5.92000 -10.58000 -2.70000 12.39000 -13.46000 0.74000 6.93000 3.40000 0.00000 0.00000 0.00000 0.06000 0.46000 0.00000 -0.77000 0.00000 -2.62000 0.00000 2.38000 75.00000 SHO1_2VKN-20_10.PDB 2.79294 -13.85000 -1.96000 -4.97000 -10.48000 -2.23000 12.09000 -13.22000 0.59000 6.95000 3.05000 0.00000 0.00000 0.00000 0.08000 0.59000 0.00000 -1.28000 0.00000 -2.47000 0.00000 2.38000 75.00000 SHO1_2VKN-20_11.PDB 2.04673 -12.64000 -1.90000 -4.99000 -10.38000 -2.52000 12.53000 -12.82000 0.76000 6.68000 3.44000 0.00000 0.00000 0.00000 0.09000 0.53000 0.00000 -1.00000 0.00000 -2.52000 0.00000 2.38000 75.00000 SHO1_2VKN-20_12.PDB 2.43971 -12.89000 -1.87000 -6.56000 -10.40000 -2.17000 12.33000 -12.92000 0.76000 7.43000 3.57000 0.00000 0.00000 0.00000 0.08000 0.57000 0.00000 -0.88000 0.00000 -2.24000 0.00000 2.38000 75.00000 SHO1_2VKN-20_13.PDB 1.84900 -13.80000 -1.06000 -4.09000 -9.44000 -3.54000 11.44000 -12.06000 0.66000 5.44000 3.02000 0.00000 0.00000 0.00000 0.06000 0.49000 0.00000 -1.19000 0.00000 -3.04000 0.00000 2.38000 75.00000 SHO1_2VKN-20_14.PDB 1.72057 -14.86000 -1.08000 -4.09000 -10.87000 -3.56000 12.98000 -13.48000 0.60000 6.01000 3.04000 0.00000 0.00000 0.00000 0.07000 0.59000 0.00000 -1.36000 0.00000 -3.11000 0.00000 2.38000 75.00000 SHO1_2VKN-20_15.PDB 1.66878 -11.44000 -1.11000 -2.62000 -9.76000 -3.26000 11.32000 -12.74000 0.60000 5.95000 3.62000 0.00000 0.00000 0.00000 0.09000 0.44000 0.00000 -0.54000 0.00000 -2.99000 0.00000 2.38000 75.00000 SHO1_2VKN-20_16.PDB 1.95192 -12.12000 -1.15000 -4.04000 -10.17000 -2.55000 11.08000 -13.55000 1.43000 6.25000 3.40000 0.00000 0.00000 0.00000 0.08000 0.48000 0.00000 -0.45000 0.00000 -2.47000 0.00000 2.38000 75.00000 SHO1_2VKN-20_17.PDB 1.65635 -14.20000 -1.06000 -5.68000 -10.01000 -3.45000 12.12000 -12.49000 0.70000 6.43000 3.44000 0.00000 0.00000 0.00000 0.05000 0.46000 0.00000 -1.28000 0.00000 -2.96000 0.00000 2.38000 75.00000 SHO1_2VKN-20_18.PDB 2.00648 -11.80000 -1.93000 -4.79000 -9.35000 -2.56000 11.39000 -11.90000 0.51000 6.53000 3.68000 0.00000 0.00000 0.00000 0.09000 0.43000 0.00000 -0.97000 0.00000 -2.50000 0.00000 2.38000 75.00000 SHO1_2VKN-20_19.PDB 2.11984 -12.64000 -1.92000 -4.81000 -9.95000 -2.56000 11.19000 -12.99000 0.50000 7.13000 4.17000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.95000 0.00000 -2.55000 0.00000 2.38000 75.00000 SHO1_2VKN-20_20.PDB 2.04957 -13.28000 -1.11000 -5.79000 -9.49000 -2.78000 10.86000 -12.47000 0.58000 6.50000 3.61000 0.00000 0.00000 0.00000 0.09000 0.42000 0.00000 -0.86000 0.00000 -2.44000 0.00000 2.38000 75.00000 SHO1_2VKN-20_21.PDB 2.49218 -13.52000 -1.07000 -4.07000 -10.21000 -1.93000 11.09000 -13.53000 0.66000 5.90000 2.97000 0.00000 0.00000 0.00000 0.10000 0.53000 0.00000 -1.24000 0.00000 -2.18000 0.00000 2.38000 75.00000 SHO1_2VKN-20_22.PDB 2.40361 -13.12000 -1.03000 -2.77000 -9.77000 -2.69000 11.00000 -12.68000 0.61000 5.62000 3.14000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -1.82000 0.00000 -2.79000 0.00000 2.38000 75.00000 SHO1_2VKN-20_23.PDB 2.04624 -12.60000 -1.11000 -4.04000 -10.72000 -0.89000 10.42000 -14.76000 0.58000 6.40000 3.32000 0.00000 0.00000 0.00000 0.12000 0.48000 0.00000 -0.52000 0.00000 -1.40000 0.00000 2.38000 75.00000 SHO1_2VKN-20_24.PDB 2.89815 -13.32000 -1.93000 -6.67000 -9.85000 -2.79000 12.05000 -12.29000 0.50000 7.66000 3.98000 0.00000 0.00000 0.00000 0.16000 0.45000 0.00000 -1.52000 0.00000 -2.59000 0.00000 2.38000 75.00000 SHO1_2VKN-20_25.PDB 1.66020 -10.89000 -1.03000 -4.05000 -9.59000 -1.18000 10.08000 -13.13000 0.56000 5.83000 3.53000 0.00000 0.00000 0.00000 0.09000 0.39000 0.00000 -0.41000 0.00000 -1.59000 0.00000 2.38000 75.00000 SHO1_2VKN-20_26.PDB 1.80382 -12.77000 -1.04000 -4.16000 -10.34000 -2.40000 11.94000 -13.33000 0.54000 5.95000 3.61000 0.00000 0.00000 0.00000 0.08000 0.48000 0.00000 -1.14000 0.00000 -2.49000 0.00000 2.38000 75.00000 SHO1_2VKN-20_27.PDB 1.98992 -12.34000 -1.93000 -3.37000 -10.95000 -1.53000 11.04000 -14.44000 0.51000 7.48000 3.65000 0.00000 0.00000 0.00000 0.09000 0.43000 0.00000 -0.86000 0.00000 -2.03000 0.00000 2.38000 75.00000 SHO1_2VKN-20_28.PDB 2.17718 -12.48000 -1.04000 -5.77000 -10.50000 -1.37000 11.02000 -14.08000 0.98000 7.05000 3.73000 0.00000 0.00000 0.00000 0.12000 0.41000 0.00000 -0.89000 0.00000 -1.73000 0.00000 2.38000 75.00000 SHO1_2VKN-20_29.PDB 2.33917 -10.64000 -1.93000 -4.91000 -9.76000 -1.26000 11.18000 -12.67000 0.56000 6.53000 4.06000 0.00000 0.00000 0.00000 0.10000 0.43000 0.00000 -0.86000 0.00000 -1.67000 0.00000 2.38000 75.00000 SHO1_2VKN-20_30.PDB 2.56698 -15.71000 -1.17000 -4.17000 -10.73000 -3.95000 12.39000 -13.62000 0.63000 6.26000 3.06000 0.00000 0.00000 0.00000 0.16000 0.59000 0.00000 -1.05000 0.00000 -3.51000 0.00000 2.38000 75.00000