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-9_1.PDB 1.77264 -9.65000 -0.51000 -3.76000 -7.37000 -3.84000 9.04000 -8.45000 0.24000 7.90000 1.59000 0.00000 0.00000 0.00000 0.11000 0.15000 0.00000 -1.01000 0.00000 -3.60000 0.00000 2.38000 74.00000 SHO1_2VKN-9_2.PDB 1.75907 -8.42000 -1.05000 -3.56000 -8.08000 -3.96000 11.09000 -8.63000 0.16000 7.45000 2.00000 0.00000 0.00000 0.00000 0.17000 0.23000 0.00000 -0.53000 0.00000 -3.48000 0.00000 2.38000 74.00000 SHO1_2VKN-9_3.PDB 1.46763 -11.74000 -2.23000 -5.45000 -8.51000 -4.13000 10.86000 -9.20000 0.10000 8.51000 2.23000 0.00000 0.00000 0.00000 0.17000 0.28000 0.00000 -0.82000 0.00000 -3.28000 0.00000 2.38000 74.00000 SHO1_2VKN-9_4.PDB 1.42937 -10.26000 -1.45000 -3.69000 -7.52000 -2.68000 8.16000 -8.93000 0.15000 7.60000 1.95000 0.00000 0.00000 0.00000 0.14000 0.26000 0.00000 -1.04000 0.00000 -2.94000 0.00000 2.38000 74.00000 SHO1_2VKN-9_5.PDB 1.61250 -10.25000 -1.33000 -3.28000 -7.84000 -3.55000 9.79000 -8.56000 0.13000 7.31000 1.91000 0.00000 0.00000 0.00000 0.11000 0.18000 0.00000 -1.67000 0.00000 -3.25000 0.00000 2.38000 74.00000 SHO1_2VKN-9_6.PDB 2.22811 -12.27000 -2.19000 -4.11000 -8.60000 -4.12000 11.03000 -9.67000 0.18000 7.45000 1.78000 0.00000 0.00000 0.00000 0.51000 0.63000 0.00000 -1.05000 0.00000 -3.48000 0.00000 2.38000 74.00000 SHO1_2VKN-9_7.PDB 2.19412 -10.63000 -0.57000 -5.51000 -8.00000 -3.87000 10.48000 -8.69000 0.12000 8.53000 2.02000 0.00000 0.00000 0.00000 0.37000 0.31000 0.00000 -1.85000 0.00000 -3.64000 0.00000 2.38000 74.00000 SHO1_2VKN-9_8.PDB 1.83991 -11.23000 -1.51000 -4.35000 -7.86000 -3.47000 10.17000 -8.84000 0.21000 7.10000 1.73000 0.00000 0.00000 0.00000 0.20000 0.57000 0.00000 -1.36000 0.00000 -3.25000 0.00000 2.38000 74.00000 SHO1_2VKN-9_9.PDB 1.12547 -11.29000 -2.21000 -3.34000 -8.15000 -3.72000 10.00000 -9.43000 0.53000 7.37000 1.72000 0.00000 0.00000 0.00000 0.11000 0.49000 0.00000 -0.69000 0.00000 -3.48000 0.00000 2.38000 74.00000 SHO1_2VKN-9_10.PDB 1.80155 -10.21000 -2.92000 -5.28000 -9.09000 -3.38000 12.57000 -9.86000 0.17000 8.66000 2.43000 0.00000 0.00000 0.00000 0.31000 0.52000 0.00000 -0.71000 0.00000 -3.10000 0.00000 2.38000 74.00000 SHO1_2VKN-9_11.PDB 1.59306 -10.32000 -1.35000 -6.17000 -9.00000 -4.45000 12.93000 -9.36000 0.32000 8.96000 2.18000 0.00000 0.00000 0.00000 0.16000 0.31000 0.00000 -0.86000 0.00000 -3.67000 0.00000 2.38000 74.00000 SHO1_2VKN-9_12.PDB 2.06549 -10.56000 -1.15000 -4.19000 -9.06000 -3.60000 12.13000 -10.36000 0.26000 6.46000 1.84000 0.00000 0.00000 0.00000 0.33000 0.46000 0.00000 -0.36000 0.00000 -2.87000 0.00000 2.38000 74.00000 SHO1_2VKN-9_13.PDB 2.00779 -10.73000 -2.34000 -5.68000 -8.84000 -4.87000 13.68000 -9.25000 0.95000 8.23000 1.96000 0.00000 0.00000 0.00000 0.25000 0.50000 0.00000 -0.93000 0.00000 -3.89000 0.00000 2.38000 74.00000 SHO1_2VKN-9_14.PDB 1.72116 -11.58000 -1.60000 -5.13000 -8.41000 -4.13000 11.53000 -8.98000 0.23000 7.75000 2.05000 0.00000 0.00000 0.00000 0.20000 0.46000 0.00000 -1.21000 0.00000 -3.87000 0.00000 2.38000 74.00000 SHO1_2VKN-9_15.PDB 2.39429 -11.06000 -2.18000 -4.76000 -8.70000 -4.53000 11.20000 -9.28000 0.44000 9.31000 2.16000 0.00000 0.00000 0.00000 0.17000 0.28000 0.00000 -1.22000 0.00000 -3.66000 0.00000 2.38000 74.00000 SHO1_2VKN-9_16.PDB 1.90146 -10.62000 -2.83000 -5.57000 -9.46000 -4.23000 13.54000 -9.95000 0.14000 8.80000 2.55000 0.00000 0.00000 0.00000 0.37000 0.53000 0.00000 -0.55000 0.00000 -3.45000 0.00000 2.38000 74.00000 SHO1_2VKN-9_17.PDB 1.85558 -11.46000 -0.61000 -4.81000 -9.17000 -4.02000 10.96000 -10.26000 1.03000 7.54000 2.28000 0.00000 0.00000 0.00000 0.16000 0.30000 0.00000 -1.36000 0.00000 -3.21000 0.00000 2.38000 74.00000 SHO1_2VKN-9_18.PDB 2.20010 -10.35000 -1.41000 -3.16000 -7.59000 -2.30000 7.62000 -9.06000 0.18000 6.00000 1.88000 0.00000 0.00000 0.00000 0.06000 0.27000 0.00000 -0.32000 0.00000 -2.25000 0.00000 2.38000 74.00000 SHO1_2VKN-9_19.PDB 1.11959 -11.31000 -1.22000 -2.79000 -7.74000 -3.79000 8.81000 -9.28000 0.09000 6.85000 1.50000 0.00000 0.00000 0.00000 0.03000 0.21000 0.00000 -0.39000 0.00000 -3.40000 0.00000 2.38000 74.00000 SHO1_2VKN-9_20.PDB 2.05085 -11.01000 -1.25000 -3.24000 -8.17000 -4.65000 10.20000 -8.87000 0.16000 6.90000 2.34000 0.00000 0.00000 0.00000 0.16000 0.15000 0.00000 -0.84000 0.00000 -3.77000 0.00000 2.38000 74.00000 SHO1_2VKN-9_21.PDB 1.43377 -11.01000 -1.36000 -3.97000 -8.09000 -3.99000 9.93000 -8.93000 0.13000 8.04000 1.98000 0.00000 0.00000 0.00000 0.13000 0.26000 0.00000 -1.39000 0.00000 -3.47000 0.00000 2.38000 74.00000 SHO1_2VKN-9_22.PDB 1.91842 -9.17000 -1.65000 -3.55000 -9.48000 -2.94000 11.46000 -10.75000 1.45000 6.66000 2.52000 0.00000 0.00000 0.00000 0.21000 0.59000 0.00000 -0.80000 0.00000 -2.31000 0.00000 2.38000 74.00000 SHO1_2VKN-9_23.PDB 1.73370 -9.66000 -1.15000 -3.72000 -7.56000 -3.66000 10.13000 -8.22000 0.09000 6.96000 1.92000 0.00000 0.00000 0.00000 0.10000 0.17000 0.00000 -1.17000 0.00000 -3.36000 0.00000 2.38000 74.00000 SHO1_2VKN-9_24.PDB 1.55675 -11.04000 -2.12000 -5.28000 -8.78000 -4.19000 11.77000 -9.34000 0.13000 8.57000 2.39000 0.00000 0.00000 0.00000 0.11000 0.26000 0.00000 -0.91000 0.00000 -3.39000 0.00000 2.38000 74.00000 SHO1_2VKN-9_25.PDB 2.15142 -11.51000 -2.31000 -4.56000 -9.02000 -4.29000 11.90000 -9.93000 0.47000 7.72000 2.23000 0.00000 0.00000 0.00000 0.24000 0.62000 0.00000 -0.53000 0.00000 -3.41000 0.00000 2.38000 74.00000 SHO1_2VKN-9_26.PDB 1.77517 -9.15000 -1.24000 -3.86000 -8.34000 -3.95000 10.94000 -8.91000 0.12000 7.66000 2.15000 0.00000 0.00000 0.00000 0.08000 0.16000 0.00000 -0.51000 0.00000 -3.29000 0.00000 2.38000 74.00000 SHO1_2VKN-9_27.PDB 1.59260 -11.33000 -2.17000 -6.14000 -8.64000 -4.42000 11.70000 -9.22000 0.25000 9.33000 2.21000 0.00000 0.00000 0.00000 0.08000 0.28000 0.00000 -0.79000 0.00000 -3.51000 0.00000 2.38000 74.00000 SHO1_2VKN-9_28.PDB 1.41187 -10.64000 -2.25000 -3.25000 -7.67000 -2.83000 8.98000 -8.83000 0.21000 6.20000 1.97000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.56000 0.00000 -2.66000 0.00000 2.38000 74.00000 SHO1_2VKN-9_29.PDB 1.34546 -12.44000 -2.82000 -4.25000 -9.10000 -3.84000 12.37000 -10.00000 0.15000 7.07000 2.00000 0.00000 0.00000 0.00000 0.20000 0.63000 0.00000 -1.17000 0.00000 -3.07000 0.00000 2.38000 74.00000 SHO1_2VKN-9_30.PDB 2.61201 -11.06000 -2.05000 -4.16000 -9.86000 -3.35000 12.38000 -11.12000 0.31000 7.26000 2.31000 0.00000 0.00000 0.00000 0.35000 0.64000 0.00000 -0.63000 0.00000 -2.49000 0.00000 2.38000 74.00000