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-11_1.PDB 2.47330 -9.34000 -3.00000 -4.56000 -7.68000 -1.37000 9.49000 -9.01000 0.24000 4.85000 3.88000 0.00000 0.00000 0.00000 0.17000 0.64000 0.00000 -0.61000 0.00000 -1.77000 0.00000 2.38000 73.00000 SHO1_2VKN-11_2.PDB 2.48308 -9.63000 -2.22000 -2.06000 -7.59000 -1.35000 8.04000 -9.25000 0.21000 4.27000 3.06000 0.00000 0.00000 0.00000 0.12000 0.63000 0.00000 -1.13000 0.00000 -1.74000 0.00000 2.38000 73.00000 SHO1_2VKN-11_3.PDB 2.25779 -10.86000 -1.34000 -1.17000 -7.40000 -1.10000 6.34000 -9.58000 0.26000 3.05000 2.38000 0.00000 0.00000 0.00000 0.13000 0.50000 0.00000 -0.96000 0.00000 -1.48000 0.00000 2.38000 73.00000 SHO1_2VKN-11_4.PDB 2.17314 -11.88000 -3.40000 -4.32000 -9.01000 -4.09000 12.54000 -9.99000 0.42000 7.14000 3.11000 0.00000 0.00000 0.00000 0.05000 0.61000 0.00000 -1.22000 0.00000 -3.10000 0.00000 2.38000 73.00000 SHO1_2VKN-11_5.PDB 2.14370 -10.20000 -1.95000 -3.53000 -6.86000 -1.35000 7.48000 -8.43000 0.29000 4.08000 2.32000 0.00000 0.00000 0.00000 0.05000 0.46000 0.00000 -0.59000 0.00000 -1.73000 0.00000 2.38000 73.00000 SHO1_2VKN-11_6.PDB 2.13260 -10.58000 -1.70000 -1.60000 -7.15000 -1.32000 6.55000 -9.28000 0.24000 4.02000 2.00000 0.00000 0.00000 0.00000 0.12000 0.49000 0.00000 -0.74000 0.00000 -1.72000 0.00000 2.38000 73.00000 SHO1_2VKN-11_7.PDB 2.49191 -9.40000 -2.21000 -2.06000 -7.40000 -1.12000 7.69000 -9.06000 0.21000 3.85000 2.87000 0.00000 0.00000 0.00000 0.14000 0.63000 0.00000 -0.83000 0.00000 -1.49000 0.00000 2.38000 73.00000 SHO1_2VKN-11_8.PDB 2.38841 -10.16000 -2.95000 -4.59000 -7.57000 -1.40000 9.31000 -8.95000 0.30000 4.60000 3.69000 0.00000 0.00000 0.00000 0.18000 0.68000 0.00000 -0.98000 0.00000 -1.79000 0.00000 2.38000 73.00000 SHO1_2VKN-11_9.PDB 2.74947 -10.55000 -3.89000 -4.67000 -9.92000 -2.62000 13.20000 -11.12000 0.26000 7.62000 3.78000 0.00000 0.00000 0.00000 0.22000 0.93000 0.00000 -1.25000 0.00000 -2.16000 0.00000 2.38000 73.00000 SHO1_2VKN-11_10.PDB 2.62524 -9.08000 -1.29000 -2.88000 -7.02000 -1.35000 7.48000 -8.64000 0.28000 3.71000 2.76000 0.00000 0.00000 0.00000 0.21000 0.43000 0.00000 -0.63000 0.00000 -1.72000 0.00000 2.38000 73.00000 SHO1_2VKN-11_11.PDB 1.95094 -10.89000 -2.98000 -2.91000 -7.95000 -1.35000 8.63000 -9.85000 0.13000 4.47000 3.25000 0.00000 0.00000 0.00000 0.15000 0.74000 0.00000 -0.72000 0.00000 -1.75000 0.00000 2.38000 73.00000 SHO1_2VKN-11_12.PDB 2.26816 -8.70000 -2.42000 -2.60000 -6.97000 -1.42000 8.30000 -8.45000 0.94000 4.29000 1.97000 0.00000 0.00000 0.00000 0.11000 0.50000 0.00000 -0.67000 0.00000 -1.78000 0.00000 2.38000 73.00000 SHO1_2VKN-11_13.PDB 2.50923 -10.58000 -2.69000 -2.63000 -7.20000 -1.27000 7.70000 -8.92000 0.22000 4.51000 2.37000 0.00000 0.00000 0.00000 0.05000 0.56000 0.00000 -1.05000 0.00000 -1.67000 0.00000 2.38000 73.00000 SHO1_2VKN-11_14.PDB 2.36699 -10.18000 -1.31000 -1.18000 -7.35000 -1.10000 6.47000 -9.38000 0.18000 3.17000 2.38000 0.00000 0.00000 0.00000 0.18000 0.52000 0.00000 -0.76000 0.00000 -1.47000 0.00000 2.38000 73.00000 SHO1_2VKN-11_15.PDB 2.16949 -11.76000 -2.49000 -4.14000 -8.25000 -2.81000 10.08000 -9.95000 0.40000 5.86000 2.52000 0.00000 0.00000 0.00000 0.12000 0.53000 0.00000 -0.73000 0.00000 -2.37000 0.00000 2.38000 73.00000 SHO1_2VKN-11_16.PDB 2.57872 -10.75000 -2.20000 -3.66000 -8.89000 -3.78000 11.19000 -10.03000 1.05000 6.20000 3.43000 0.00000 0.00000 0.00000 0.11000 0.49000 0.00000 -1.37000 0.00000 -2.80000 0.00000 2.38000 73.00000 SHO1_2VKN-11_17.PDB 2.57781 -9.48000 -2.96000 -4.56000 -7.54000 -1.35000 9.31000 -8.87000 0.25000 4.73000 3.81000 0.00000 0.00000 0.00000 0.22000 0.73000 0.00000 -0.76000 0.00000 -1.76000 0.00000 2.38000 73.00000 SHO1_2VKN-11_18.PDB 3.18496 -11.40000 -3.84000 -4.65000 -9.72000 -2.74000 12.92000 -11.05000 0.59000 7.49000 3.14000 0.00000 0.00000 0.00000 0.30000 0.94000 0.00000 -1.54000 0.00000 -2.28000 0.00000 2.38000 73.00000 SHO1_2VKN-11_19.PDB 2.55066 -9.12000 -2.22000 -2.06000 -7.56000 -1.17000 7.81000 -9.25000 0.28000 4.19000 3.22000 0.00000 0.00000 0.00000 0.11000 0.61000 0.00000 -0.88000 0.00000 -1.59000 0.00000 2.38000 73.00000 SHO1_2VKN-11_20.PDB 2.54200 -8.92000 -1.33000 -3.76000 -8.48000 -2.51000 10.17000 -9.88000 0.44000 5.43000 4.05000 0.00000 0.00000 0.00000 0.13000 0.47000 0.00000 -1.06000 0.00000 -2.12000 0.00000 2.38000 73.00000 SHO1_2VKN-11_21.PDB 2.34304 -9.41000 -1.30000 -2.78000 -6.74000 -1.11000 6.94000 -8.26000 0.22000 3.25000 2.73000 0.00000 0.00000 0.00000 0.10000 0.32000 0.00000 -0.94000 0.00000 -1.51000 0.00000 2.38000 73.00000 SHO1_2VKN-11_22.PDB 2.46698 -10.50000 -1.30000 -1.20000 -7.20000 -1.09000 6.31000 -9.26000 0.22000 2.90000 2.27000 0.00000 0.00000 0.00000 0.20000 0.54000 0.00000 -0.89000 0.00000 -1.48000 0.00000 2.38000 73.00000 SHO1_2VKN-11_23.PDB 2.22116 -7.79000 -1.19000 -1.12000 -6.08000 -1.11000 5.96000 -7.69000 0.45000 2.64000 2.52000 0.00000 0.00000 0.00000 0.11000 0.10000 0.00000 -0.79000 0.00000 -1.48000 0.00000 2.38000 73.00000 SHO1_2VKN-11_24.PDB 2.19686 -10.36000 -1.34000 -1.18000 -7.34000 -1.14000 6.53000 -9.42000 0.23000 3.14000 2.35000 0.00000 0.00000 0.00000 0.10000 0.40000 0.00000 -0.75000 0.00000 -1.54000 0.00000 2.38000 73.00000 SHO1_2VKN-11_25.PDB 2.32052 -10.08000 -2.09000 -2.81000 -7.22000 -1.92000 8.25000 -8.73000 0.21000 4.29000 2.36000 0.00000 0.00000 0.00000 0.04000 0.30000 0.00000 -0.74000 0.00000 -1.71000 0.00000 2.38000 73.00000 SHO1_2VKN-11_26.PDB 2.20338 -9.76000 -2.67000 -2.56000 -7.33000 -1.26000 7.86000 -8.98000 0.39000 4.55000 2.73000 0.00000 0.00000 0.00000 0.05000 0.55000 0.00000 -0.87000 0.00000 -1.66000 0.00000 2.38000 73.00000 SHO1_2VKN-11_27.PDB 2.23558 -10.52000 -2.75000 -5.26000 -8.48000 -2.65000 11.75000 -9.69000 1.09000 6.32000 2.57000 0.00000 0.00000 0.00000 0.06000 0.64000 0.00000 -1.15000 0.00000 -2.33000 0.00000 2.38000 73.00000 SHO1_2VKN-11_28.PDB 2.23009 -10.39000 -1.33000 -1.18000 -7.39000 -1.19000 6.49000 -9.47000 0.23000 3.18000 2.74000 0.00000 0.00000 0.00000 0.12000 0.50000 0.00000 -1.03000 0.00000 -1.58000 0.00000 2.38000 73.00000 SHO1_2VKN-11_29.PDB 2.24225 -10.03000 -1.22000 -1.12000 -6.42000 -1.08000 5.49000 -8.62000 0.24000 2.82000 2.03000 0.00000 0.00000 0.00000 0.12000 0.21000 0.00000 -0.79000 0.00000 -1.48000 0.00000 2.38000 73.00000 SHO1_2VKN-11_30.PDB 2.14695 -13.01000 -2.94000 -3.75000 -9.24000 -2.93000 11.33000 -10.95000 0.27000 6.20000 2.26000 0.00000 0.00000 0.00000 0.06000 0.75000 0.00000 -1.10000 0.00000 -2.22000 0.00000 2.38000 73.00000