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-15_1.PDB 1.44010 -11.58000 -0.58000 -3.19000 -7.48000 -5.50000 10.65000 -8.27000 0.30000 6.06000 2.14000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -1.24000 0.00000 -4.53000 0.00000 2.38000 75.00000 SHO1_2VKN-15_2.PDB 1.50221 -9.86000 -1.32000 -2.97000 -6.82000 -3.91000 9.10000 -7.77000 0.19000 5.35000 3.10000 0.00000 0.00000 0.00000 0.05000 0.49000 0.00000 -1.64000 0.00000 -3.23000 0.00000 2.38000 75.00000 SHO1_2VKN-15_3.PDB 1.93881 -11.97000 -2.32000 -4.75000 -8.78000 -5.26000 12.29000 -9.55000 0.55000 7.47000 3.10000 0.00000 0.00000 0.00000 0.11000 0.54000 0.00000 -0.51000 0.00000 -4.33000 0.00000 2.38000 75.00000 SHO1_2VKN-15_4.PDB 2.81775 -13.27000 -1.64000 -4.48000 -8.28000 -5.50000 11.16000 -9.06000 0.59000 6.79000 2.96000 0.00000 0.00000 0.00000 0.26000 0.58000 0.00000 -1.33000 0.00000 -4.72000 0.00000 2.38000 75.00000 SHO1_2VKN-15_5.PDB 1.53859 -13.03000 -1.71000 -4.20000 -8.29000 -4.50000 10.58000 -9.45000 0.23000 7.55000 2.83000 0.00000 0.00000 0.00000 0.07000 0.56000 0.00000 -2.06000 0.00000 -4.08000 0.00000 2.38000 75.00000 SHO1_2VKN-15_6.PDB 1.66076 -12.85000 -3.04000 -5.61000 -9.11000 -4.71000 12.10000 -10.20000 0.41000 8.89000 3.75000 0.00000 0.00000 0.00000 0.07000 0.51000 0.00000 -1.60000 0.00000 -3.78000 0.00000 2.38000 75.00000 SHO1_2VKN-15_7.PDB 1.58872 -12.30000 -1.35000 -5.58000 -7.72000 -4.48000 9.90000 -8.70000 0.63000 8.13000 2.12000 0.00000 0.00000 0.00000 0.07000 0.38000 0.00000 -1.23000 0.00000 -4.09000 0.00000 2.38000 75.00000 SHO1_2VKN-15_8.PDB 1.64289 -9.28000 -2.32000 -3.49000 -6.86000 -2.69000 8.90000 -7.61000 0.13000 7.04000 2.62000 0.00000 0.00000 0.00000 0.07000 0.48000 0.00000 -2.21000 0.00000 -2.87000 0.00000 2.38000 75.00000 SHO1_2VKN-15_9.PDB 2.50073 -10.55000 -3.42000 -4.03000 -8.07000 -2.23000 9.70000 -9.70000 0.41000 7.41000 3.12000 0.00000 0.00000 0.00000 0.14000 0.62000 0.00000 -1.48000 0.00000 -2.39000 0.00000 2.38000 75.00000 SHO1_2VKN-15_10.PDB 2.85664 -12.26000 -2.60000 -5.17000 -8.22000 -4.32000 10.66000 -9.17000 0.55000 8.04000 2.98000 0.00000 0.00000 0.00000 0.27000 0.61000 0.00000 -1.83000 0.00000 -3.45000 0.00000 2.38000 75.00000 SHO1_2VKN-15_11.PDB 1.51638 -11.98000 -2.01000 -5.20000 -7.31000 -4.82000 10.12000 -8.00000 0.20000 7.58000 3.11000 0.00000 0.00000 0.00000 0.05000 0.46000 0.00000 -1.62000 0.00000 -4.07000 0.00000 2.38000 75.00000 SHO1_2VKN-15_12.PDB 1.48744 -13.92000 -1.14000 -6.23000 -8.44000 -5.11000 10.89000 -9.48000 0.11000 9.38000 2.38000 0.00000 0.00000 0.00000 0.06000 0.55000 0.00000 -1.88000 0.00000 -4.46000 0.00000 2.38000 75.00000 SHO1_2VKN-15_13.PDB 2.37856 -10.81000 -1.48000 -5.38000 -8.25000 -5.24000 11.63000 -8.95000 0.23000 9.73000 2.94000 0.00000 0.00000 0.00000 0.28000 0.46000 0.00000 -1.84000 0.00000 -4.47000 0.00000 2.38000 75.00000 SHO1_2VKN-15_14.PDB 1.44494 -12.67000 -1.43000 -3.26000 -9.11000 -3.86000 10.26000 -11.05000 0.14000 6.89000 3.04000 0.00000 0.00000 0.00000 0.06000 0.61000 0.00000 -1.33000 0.00000 -3.03000 0.00000 2.38000 75.00000 SHO1_2VKN-15_15.PDB 1.89213 -12.14000 -2.05000 -4.52000 -8.78000 -4.44000 10.37000 -10.22000 0.23000 8.13000 3.61000 0.00000 0.00000 0.00000 0.11000 0.52000 0.00000 -1.08000 0.00000 -3.49000 0.00000 2.38000 75.00000 SHO1_2VKN-15_16.PDB 1.45607 -12.87000 -2.62000 -4.34000 -9.60000 -3.96000 11.32000 -11.18000 0.13000 8.52000 3.66000 0.00000 0.00000 0.00000 0.07000 0.53000 0.00000 -1.64000 0.00000 -3.24000 0.00000 2.38000 75.00000 SHO1_2VKN-15_17.PDB 2.36478 -12.46000 -2.59000 -5.41000 -9.11000 -4.75000 11.63000 -10.31000 0.13000 8.83000 3.91000 0.00000 0.00000 0.00000 0.22000 0.53000 0.00000 -1.26000 0.00000 -3.73000 0.00000 2.38000 75.00000 SHO1_2VKN-15_18.PDB 2.25468 -11.67000 -1.24000 -4.43000 -7.03000 -4.99000 9.76000 -7.74000 0.25000 7.08000 2.77000 0.00000 0.00000 0.00000 0.08000 0.47000 0.00000 -1.82000 0.00000 -4.35000 0.00000 2.38000 75.00000 SHO1_2VKN-15_19.PDB 1.12076 -8.05000 -1.10000 -1.91000 -6.44000 -2.45000 8.29000 -7.30000 0.23000 4.61000 2.24000 0.00000 0.00000 0.00000 0.05000 0.39000 0.00000 -1.42000 0.00000 -2.86000 0.00000 2.38000 75.00000 SHO1_2VKN-15_20.PDB 1.70700 -11.24000 -1.54000 -3.44000 -8.01000 -4.83000 11.02000 -9.15000 0.28000 6.60000 3.11000 0.00000 0.00000 0.00000 0.06000 0.49000 0.00000 -1.83000 0.00000 -3.51000 0.00000 2.38000 75.00000 SHO1_2VKN-15_21.PDB 1.74630 -12.17000 -2.20000 -4.69000 -8.37000 -4.25000 10.69000 -9.40000 0.18000 8.07000 2.72000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -1.35000 0.00000 -3.63000 0.00000 2.38000 75.00000 SHO1_2VKN-15_22.PDB 1.61746 -12.35000 -2.58000 -5.52000 -8.60000 -5.37000 12.45000 -9.48000 0.16000 8.70000 3.59000 0.00000 0.00000 0.00000 0.06000 0.52000 0.00000 -1.54000 0.00000 -4.23000 0.00000 2.38000 75.00000 SHO1_2VKN-15_23.PDB 1.63548 -13.00000 -1.73000 -5.10000 -8.06000 -4.87000 10.53000 -9.12000 0.34000 7.72000 2.92000 0.00000 0.00000 0.00000 0.05000 0.59000 0.00000 -1.59000 0.00000 -4.08000 0.00000 2.38000 75.00000 SHO1_2VKN-15_24.PDB 1.48728 -13.31000 -2.47000 -5.88000 -8.17000 -4.89000 10.99000 -9.02000 0.16000 8.74000 3.06000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -1.68000 0.00000 -4.20000 0.00000 2.38000 75.00000 SHO1_2VKN-15_25.PDB 3.17642 -12.49000 -2.11000 -4.82000 -9.52000 -5.86000 12.78000 -10.37000 0.94000 8.28000 2.99000 0.00000 0.00000 0.00000 0.20000 0.66000 0.00000 -1.27000 0.00000 -3.71000 0.00000 2.38000 75.00000 SHO1_2VKN-15_26.PDB 2.14543 -9.93000 -1.52000 -3.88000 -7.35000 -2.45000 8.29000 -8.99000 0.14000 7.44000 2.17000 0.00000 0.00000 0.00000 0.21000 0.49000 0.00000 -1.20000 0.00000 -2.77000 0.00000 2.38000 75.00000 SHO1_2VKN-15_27.PDB 1.52619 -15.92000 -1.72000 -5.53000 -8.74000 -6.12000 11.99000 -9.57000 0.39000 6.98000 2.67000 0.00000 0.00000 0.00000 0.11000 0.61000 0.00000 -1.36000 0.00000 -5.02000 0.00000 2.38000 75.00000 SHO1_2VKN-15_28.PDB 2.24461 -13.00000 -2.05000 -5.24000 -8.14000 -4.55000 10.52000 -9.12000 0.33000 8.14000 2.60000 0.00000 0.00000 0.00000 0.08000 0.52000 0.00000 -1.74000 0.00000 -3.84000 0.00000 2.38000 75.00000 SHO1_2VKN-15_29.PDB 1.38937 -13.27000 -1.54000 -4.78000 -8.19000 -4.88000 10.36000 -9.33000 0.15000 7.77000 2.83000 0.00000 0.00000 0.00000 0.05000 0.61000 0.00000 -1.54000 0.00000 -4.16000 0.00000 2.38000 75.00000 SHO1_2VKN-15_30.PDB 1.31043 -8.96000 -1.46000 -3.40000 -8.52000 -1.63000 8.94000 -10.65000 0.24000 7.31000 3.00000 0.00000 0.00000 0.00000 0.06000 0.58000 0.00000 -0.77000 0.00000 -2.09000 0.00000 2.38000 75.00000