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-16_1.PDB 2.46895 -5.12000 -1.10000 -1.83000 -7.50000 -1.19000 8.98000 -9.61000 1.88000 5.33000 2.74000 0.00000 0.00000 0.00000 0.07000 0.39000 0.00000 -1.12000 0.00000 -1.76000 0.00000 2.38000 75.00000 SHO1_2VKN-16_2.PDB 3.52606 -4.73000 -1.19000 -2.07000 -7.40000 -1.23000 8.95000 -9.35000 1.56000 5.53000 3.36000 0.00000 0.00000 0.00000 0.15000 0.54000 0.00000 -1.26000 0.00000 -1.77000 0.00000 2.38000 75.00000 SHO1_2VKN-16_3.PDB 3.57685 -6.39000 -1.07000 -2.43000 -8.22000 -2.27000 10.33000 -10.04000 0.96000 6.89000 3.44000 0.00000 0.00000 0.00000 0.08000 0.52000 0.00000 -1.22000 0.00000 -2.83000 0.00000 2.38000 75.00000 SHO1_2VKN-16_4.PDB 2.83702 -5.79000 -1.22000 -2.03000 -7.36000 -1.14000 8.71000 -9.56000 0.99000 5.20000 2.83000 0.00000 0.00000 0.00000 0.18000 0.45000 0.00000 -0.71000 0.00000 -1.68000 0.00000 2.38000 75.00000 SHO1_2VKN-16_5.PDB 2.45525 -4.51000 -1.18000 -2.06000 -6.80000 -1.21000 8.66000 -8.46000 1.45000 4.96000 2.83000 0.00000 0.00000 0.00000 0.13000 0.28000 0.00000 -1.02000 0.00000 -1.80000 0.00000 2.38000 75.00000 SHO1_2VKN-16_6.PDB 2.67555 -4.24000 -0.90000 -1.68000 -7.18000 -1.16000 8.65000 -9.14000 1.01000 5.27000 3.36000 0.00000 0.00000 0.00000 0.10000 0.66000 0.00000 -0.73000 0.00000 -1.84000 0.00000 2.38000 75.00000 SHO1_2VKN-16_7.PDB 2.65381 -5.63000 -1.02000 -2.63000 -7.31000 -1.90000 9.11000 -9.15000 1.31000 5.90000 3.59000 0.00000 0.00000 0.00000 0.08000 0.38000 0.00000 -1.12000 0.00000 -2.50000 0.00000 2.38000 75.00000 SHO1_2VKN-16_8.PDB 1.71926 -4.29000 -1.25000 -1.95000 -6.95000 -1.19000 8.57000 -8.91000 1.53000 4.94000 3.37000 0.00000 0.00000 0.00000 0.17000 0.40000 0.00000 -0.85000 0.00000 -1.77000 0.00000 2.38000 75.00000 SHO1_2VKN-16_9.PDB 3.47611 -2.82000 -1.07000 -1.92000 -6.93000 -1.11000 8.94000 -8.29000 1.12000 5.08000 3.43000 0.00000 0.00000 0.00000 0.05000 0.56000 0.00000 -0.46000 0.00000 -1.67000 0.00000 2.38000 75.00000 SHO1_2VKN-16_10.PDB 3.35484 -4.39000 -0.35000 -1.97000 -7.62000 -2.28000 9.98000 -9.10000 1.70000 5.73000 3.17000 0.00000 0.00000 0.00000 0.12000 0.38000 0.00000 -0.94000 0.00000 -2.82000 0.00000 2.38000 75.00000 SHO1_2VKN-16_11.PDB 3.61397 -5.62000 -0.43000 -1.16000 -7.92000 -0.90000 8.48000 -10.69000 1.12000 4.59000 2.92000 0.00000 0.00000 0.00000 0.22000 0.39000 0.00000 -0.44000 0.00000 -1.41000 0.00000 2.38000 75.00000 SHO1_2VKN-16_12.PDB 2.74845 -3.91000 -1.15000 -1.95000 -7.34000 -1.29000 8.91000 -9.21000 1.40000 5.49000 3.54000 0.00000 0.00000 0.00000 0.10000 0.66000 0.00000 -0.52000 0.00000 -1.89000 0.00000 2.38000 75.00000 SHO1_2VKN-16_13.PDB 4.93897 -6.85000 -1.14000 -2.75000 -8.79000 -1.59000 9.39000 -11.90000 2.61000 6.35000 3.83000 0.00000 0.00000 0.00000 0.29000 0.46000 0.00000 -1.00000 0.00000 -2.15000 0.00000 2.38000 75.00000 SHO1_2VKN-16_14.PDB 2.89003 -6.45000 -1.25000 -2.88000 -7.42000 -1.92000 9.00000 -9.47000 0.86000 6.27000 3.68000 0.00000 0.00000 0.00000 0.27000 0.43000 0.00000 -1.08000 0.00000 -2.52000 0.00000 2.38000 75.00000 SHO1_2VKN-16_15.PDB 2.52703 -4.48000 -1.12000 -1.88000 -7.09000 -1.44000 9.23000 -8.61000 1.05000 5.31000 2.84000 0.00000 0.00000 0.00000 0.06000 0.30000 0.00000 -0.81000 0.00000 -2.01000 0.00000 2.38000 75.00000 SHO1_2VKN-16_16.PDB 3.50543 -5.93000 -1.25000 -1.96000 -7.33000 -1.19000 8.62000 -9.46000 1.03000 5.27000 2.77000 0.00000 0.00000 0.00000 0.19000 0.38000 0.00000 -0.87000 0.00000 -1.75000 0.00000 2.38000 75.00000 SHO1_2VKN-16_17.PDB 3.79326 -4.80000 -0.44000 -1.29000 -7.91000 -0.83000 8.59000 -10.47000 0.98000 4.77000 3.41000 0.00000 0.00000 0.00000 0.27000 0.62000 0.00000 -0.54000 0.00000 -1.37000 0.00000 2.38000 75.00000 SHO1_2VKN-16_18.PDB 1.48501 -6.09000 -1.21000 -2.02000 -7.39000 -1.20000 8.64000 -9.55000 0.92000 5.42000 2.65000 0.00000 0.00000 0.00000 0.19000 0.35000 0.00000 -0.77000 0.00000 -1.78000 0.00000 2.38000 75.00000 SHO1_2VKN-16_19.PDB 3.51839 -5.19000 -0.06000 -1.76000 -7.91000 -1.58000 9.10000 -10.23000 1.18000 5.40000 3.57000 0.00000 0.00000 0.00000 0.11000 0.31000 0.00000 -0.91000 0.00000 -2.10000 0.00000 2.38000 75.00000 SHO1_2VKN-16_20.PDB 5.17209 -5.34000 -1.14000 -1.83000 -9.07000 -1.22000 9.96000 -11.98000 2.57000 6.17000 3.74000 0.00000 0.00000 0.00000 0.27000 0.64000 0.00000 -0.97000 0.00000 -1.86000 0.00000 2.38000 75.00000 SHO1_2VKN-16_21.PDB 5.15637 -6.43000 -1.07000 -2.63000 -9.09000 -1.64000 10.17000 -11.80000 2.73000 6.37000 3.59000 0.00000 0.00000 0.00000 0.26000 0.47000 0.00000 -1.11000 0.00000 -2.20000 0.00000 2.38000 75.00000 SHO1_2VKN-16_22.PDB 2.49840 -2.47000 -0.86000 -1.68000 -6.49000 -1.16000 8.45000 -7.85000 1.19000 4.78000 3.32000 0.00000 0.00000 0.00000 0.05000 0.49000 0.00000 -0.48000 0.00000 -1.74000 0.00000 2.38000 75.00000 SHO1_2VKN-16_23.PDB 2.65570 -4.66000 -1.00000 -2.64000 -6.95000 -2.15000 9.53000 -8.25000 1.45000 6.07000 3.24000 0.00000 0.00000 0.00000 0.04000 0.29000 0.00000 -1.24000 0.00000 -2.75000 0.00000 2.38000 75.00000 SHO1_2VKN-16_24.PDB 2.94746 -4.05000 -1.20000 -1.94000 -6.85000 -1.13000 8.65000 -8.63000 1.95000 4.86000 2.67000 0.00000 0.00000 0.00000 0.24000 0.27000 0.00000 -0.97000 0.00000 -1.70000 0.00000 2.38000 75.00000 SHO1_2VKN-16_25.PDB 3.30596 -4.20000 -1.10000 -1.87000 -7.39000 -1.28000 9.25000 -9.17000 1.20000 5.45000 3.37000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.89000 0.00000 -1.85000 0.00000 2.38000 75.00000 SHO1_2VKN-16_26.PDB 3.65461 -5.69000 -1.07000 -2.75000 -7.67000 -2.09000 9.70000 -9.52000 0.90000 6.51000 3.76000 0.00000 0.00000 0.00000 0.18000 0.33000 0.00000 -0.92000 0.00000 -2.73000 0.00000 2.38000 75.00000 SHO1_2VKN-16_27.PDB 1.45387 -4.11000 -1.12000 -1.93000 -7.50000 -1.18000 9.36000 -9.21000 0.94000 5.48000 3.31000 0.00000 0.00000 0.00000 0.11000 0.61000 0.00000 -0.60000 0.00000 -1.77000 0.00000 2.38000 75.00000 SHO1_2VKN-16_28.PDB 1.63491 -6.12000 -1.18000 -1.93000 -7.47000 -1.40000 8.87000 -9.53000 0.80000 5.49000 2.66000 0.00000 0.00000 0.00000 0.18000 0.36000 0.00000 -0.65000 0.00000 -1.97000 0.00000 2.38000 75.00000 SHO1_2VKN-16_29.PDB 2.69776 -4.27000 -0.06000 -0.74000 -7.20000 -0.96000 8.11000 -9.58000 1.11000 3.93000 2.88000 0.00000 0.00000 0.00000 0.12000 0.26000 0.00000 -0.44000 0.00000 -1.45000 0.00000 2.38000 75.00000 SHO1_2VKN-16_30.PDB 4.50662 -7.37000 -1.05000 -3.50000 -9.18000 -2.04000 10.45000 -12.14000 2.52000 7.42000 3.83000 0.00000 0.00000 0.00000 0.25000 0.50000 0.00000 -1.34000 0.00000 -2.59000 0.00000 2.38000 75.00000