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-12_1.PDB 1.33900 -9.73000 -0.09000 -1.27000 -4.54000 -2.21000 4.12000 -6.41000 0.03000 3.33000 0.86000 0.00000 0.00000 0.00000 0.01000 0.23000 0.00000 -0.93000 0.00000 -2.62000 0.00000 2.38000 74.00000 SHO1_2VKN-12_2.PDB 2.13372 -8.61000 -0.05000 -0.67000 -5.86000 -2.95000 5.74000 -7.62000 0.21000 4.85000 1.21000 0.00000 0.00000 0.00000 0.12000 0.39000 0.00000 -0.54000 0.00000 -3.05000 0.00000 2.38000 74.00000 SHO1_2VKN-12_3.PDB 1.24737 -8.13000 -0.05000 -0.71000 -4.26000 -2.40000 3.57000 -6.06000 0.17000 4.16000 0.87000 0.00000 0.00000 0.00000 0.01000 0.24000 0.00000 -0.53000 0.00000 -2.89000 0.00000 2.38000 74.00000 SHO1_2VKN-12_4.PDB 1.11196 -9.46000 -0.09000 -0.83000 -4.85000 -1.68000 3.79000 -7.11000 0.12000 2.65000 0.95000 0.00000 0.00000 0.00000 0.01000 0.38000 0.00000 -0.33000 0.00000 -2.09000 0.00000 2.38000 74.00000 SHO1_2VKN-12_5.PDB 1.14446 -8.04000 -0.17000 -0.59000 -4.70000 -1.80000 3.95000 -6.59000 0.02000 3.19000 1.13000 0.00000 0.00000 0.00000 0.01000 0.27000 0.00000 -0.43000 0.00000 -2.07000 0.00000 2.38000 74.00000 SHO1_2VKN-12_6.PDB 1.26244 -9.49000 -0.09000 -1.29000 -4.81000 -1.82000 3.91000 -6.93000 0.04000 3.05000 0.98000 0.00000 0.00000 0.00000 0.01000 0.26000 0.00000 -0.37000 0.00000 -2.16000 0.00000 2.38000 74.00000 SHO1_2VKN-12_7.PDB 1.38219 -8.42000 -0.05000 -1.22000 -4.19000 -2.67000 4.29000 -5.76000 0.04000 4.37000 0.84000 0.00000 0.00000 0.00000 0.00000 0.16000 0.00000 -0.92000 0.00000 -3.15000 0.00000 2.38000 74.00000 SHO1_2VKN-12_8.PDB 1.19148 -10.00000 -0.15000 -0.73000 -4.80000 -1.69000 3.52000 -7.17000 0.08000 2.67000 0.89000 0.00000 0.00000 0.00000 0.02000 0.38000 0.00000 -0.51000 0.00000 -2.12000 0.00000 2.38000 74.00000 SHO1_2VKN-12_9.PDB 1.14799 -7.05000 -0.12000 -1.03000 -5.32000 -1.58000 4.79000 -7.25000 0.15000 4.47000 1.31000 0.00000 0.00000 0.00000 0.02000 0.27000 0.00000 -0.63000 0.00000 -1.87000 0.00000 2.38000 74.00000 SHO1_2VKN-12_10.PDB 1.29066 -7.84000 -0.13000 -1.77000 -5.90000 -2.98000 6.42000 -7.49000 0.88000 5.23000 1.21000 0.00000 0.00000 0.00000 0.03000 0.43000 0.00000 -0.47000 0.00000 -2.88000 0.00000 2.38000 74.00000 SHO1_2VKN-12_11.PDB 1.43134 -7.42000 -0.19000 -1.23000 -6.06000 -2.51000 6.27000 -7.69000 0.19000 5.34000 1.18000 0.00000 0.00000 0.00000 0.04000 0.52000 0.00000 -0.31000 0.00000 -2.44000 0.00000 2.38000 74.00000 SHO1_2VKN-12_12.PDB 1.21999 -8.36000 -0.05000 0.00000 -4.50000 -1.88000 3.32000 -6.63000 0.16000 2.86000 0.90000 0.00000 0.00000 0.00000 0.01000 0.26000 0.00000 -0.26000 0.00000 -2.28000 0.00000 2.38000 74.00000 SHO1_2VKN-12_13.PDB 2.14021 -8.77000 -0.03000 -0.72000 -4.36000 -1.81000 3.76000 -5.80000 0.12000 2.12000 0.90000 0.00000 0.00000 0.00000 0.09000 0.18000 0.00000 -0.71000 0.00000 -2.33000 0.00000 2.38000 74.00000 SHO1_2VKN-12_14.PDB 1.77955 -9.39000 -0.07000 -1.42000 -5.86000 -2.71000 5.54000 -7.74000 0.05000 4.81000 1.29000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -0.58000 0.00000 -2.79000 0.00000 2.38000 74.00000 SHO1_2VKN-12_15.PDB 1.87620 -7.67000 -0.03000 -1.53000 -5.81000 -2.55000 6.20000 -7.00000 0.13000 4.67000 1.20000 0.00000 0.00000 0.00000 0.10000 0.36000 0.00000 -0.49000 0.00000 -2.57000 0.00000 2.38000 74.00000 SHO1_2VKN-12_16.PDB 1.77447 -8.77000 -0.07000 -0.88000 -5.90000 -2.49000 5.46000 -7.92000 0.17000 4.31000 1.22000 0.00000 0.00000 0.00000 0.09000 0.37000 0.00000 -0.23000 0.00000 -2.53000 0.00000 2.38000 74.00000 SHO1_2VKN-12_17.PDB 1.17153 -8.25000 -0.09000 -1.56000 -6.10000 -2.78000 6.67000 -7.65000 0.08000 4.71000 1.33000 0.00000 0.00000 0.00000 0.07000 0.41000 0.00000 -0.59000 0.00000 -2.32000 0.00000 2.38000 74.00000 SHO1_2VKN-12_18.PDB 2.19279 -7.71000 -0.71000 -1.50000 -5.04000 -2.41000 5.62000 -6.77000 0.34000 4.78000 1.33000 0.00000 0.00000 0.00000 0.08000 0.43000 0.00000 -0.71000 0.00000 -2.72000 0.00000 2.38000 74.00000 SHO1_2VKN-12_19.PDB 1.90158 -7.52000 -0.08000 -0.84000 -5.48000 -2.59000 5.72000 -6.77000 0.21000 4.21000 1.32000 0.00000 0.00000 0.00000 0.06000 0.24000 0.00000 -0.47000 0.00000 -2.81000 0.00000 2.38000 74.00000 SHO1_2VKN-12_20.PDB 1.27542 -10.76000 -0.08000 -1.30000 -4.74000 -2.14000 3.69000 -6.83000 0.01000 3.09000 0.86000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.76000 0.00000 -2.58000 0.00000 2.38000 74.00000 SHO1_2VKN-12_21.PDB 1.65887 -7.11000 -0.04000 -0.85000 -5.96000 -2.84000 6.38000 -7.22000 0.80000 4.49000 1.19000 0.00000 0.00000 0.00000 0.13000 0.33000 0.00000 -0.36000 0.00000 -2.82000 0.00000 2.38000 74.00000 SHO1_2VKN-12_22.PDB 1.07033 -7.75000 -0.08000 -0.56000 -4.51000 -1.63000 3.63000 -6.64000 0.09000 3.68000 0.83000 0.00000 0.00000 0.00000 0.01000 0.24000 0.00000 -0.48000 0.00000 -2.08000 0.00000 2.38000 74.00000 SHO1_2VKN-12_23.PDB 1.14511 -9.24000 -0.11000 -0.77000 -5.33000 -1.25000 4.22000 -7.66000 0.10000 2.63000 0.98000 0.00000 0.00000 0.00000 0.04000 0.55000 0.00000 -0.58000 0.00000 -1.51000 0.00000 2.38000 74.00000 SHO1_2VKN-12_24.PDB 1.18611 -7.72000 -0.05000 -0.88000 -5.01000 -2.40000 4.84000 -6.64000 0.03000 4.45000 0.98000 0.00000 0.00000 0.00000 0.02000 0.25000 0.00000 -0.42000 0.00000 -2.63000 0.00000 2.38000 74.00000 SHO1_2VKN-12_25.PDB 1.22212 -6.80000 -0.05000 -0.81000 -4.58000 -1.70000 4.31000 -6.13000 0.02000 3.82000 0.96000 0.00000 0.00000 0.00000 0.04000 0.35000 0.00000 -0.59000 0.00000 -2.07000 0.00000 2.38000 74.00000 SHO1_2VKN-12_26.PDB 1.40791 -7.09000 -0.72000 -0.92000 -4.46000 -1.85000 3.90000 -6.20000 0.07000 4.36000 1.43000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.45000 0.00000 -2.26000 0.00000 2.38000 74.00000 SHO1_2VKN-12_27.PDB 1.29846 -7.90000 -0.14000 -1.58000 -5.50000 -2.83000 6.47000 -7.12000 0.12000 4.01000 1.64000 0.00000 0.00000 0.00000 0.02000 0.41000 0.00000 -0.48000 0.00000 -2.51000 0.00000 2.38000 74.00000 SHO1_2VKN-12_28.PDB 1.19698 -9.06000 -0.07000 -2.89000 -5.35000 -3.37000 6.32000 -7.05000 2.08000 3.89000 0.95000 0.00000 0.00000 0.00000 0.02000 0.56000 0.00000 -0.59000 0.00000 -3.00000 0.00000 2.38000 74.00000 SHO1_2VKN-12_29.PDB 1.78791 -7.28000 -0.13000 -0.38000 -6.16000 -3.24000 6.44000 -7.62000 0.89000 4.12000 1.07000 0.00000 0.00000 0.00000 0.24000 0.37000 0.00000 -0.33000 0.00000 -2.18000 0.00000 2.38000 74.00000 SHO1_2VKN-12_30.PDB 1.00883 -7.72000 -0.09000 -0.04000 -4.89000 -1.39000 3.73000 -7.17000 0.75000 2.68000 0.94000 0.00000 0.00000 0.00000 0.01000 0.30000 0.00000 -0.52000 0.00000 -1.74000 0.00000 2.38000 74.00000