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-8_1.PDB 1.76269 -8.95000 -0.54000 -1.23000 -8.29000 -1.27000 6.74000 -11.05000 1.75000 3.86000 2.24000 0.00000 0.00000 0.00000 0.44000 0.42000 0.00000 -0.26000 0.00000 -1.34000 0.00000 2.38000 74.00000 SHO1_2VKN-8_2.PDB 2.34162 -8.49000 -0.09000 -0.04000 -7.90000 -0.89000 5.94000 -10.94000 0.30000 3.94000 2.34000 0.00000 0.00000 0.00000 0.69000 0.30000 0.00000 -0.74000 0.00000 -1.11000 0.00000 2.38000 74.00000 SHO1_2VKN-8_3.PDB 2.08721 -9.79000 -0.45000 -1.26000 -8.41000 -1.70000 7.47000 -10.88000 0.29000 4.10000 2.34000 0.00000 0.00000 0.00000 0.75000 0.41000 0.00000 -0.66000 0.00000 -1.39000 0.00000 2.38000 74.00000 SHO1_2VKN-8_4.PDB 3.41893 -9.85000 -0.47000 -1.10000 -7.95000 -1.32000 6.41000 -10.86000 0.29000 3.99000 2.34000 0.00000 0.00000 0.00000 0.63000 0.42000 0.00000 -0.48000 0.00000 -1.32000 0.00000 2.38000 74.00000 SHO1_2VKN-8_5.PDB 2.98782 -9.96000 -0.16000 -0.06000 -8.69000 -1.01000 6.48000 -12.07000 0.32000 4.12000 2.56000 0.00000 0.00000 0.00000 0.42000 0.38000 0.00000 -0.62000 0.00000 -1.25000 0.00000 2.38000 74.00000 SHO1_2VKN-8_6.PDB 1.94615 -9.11000 -0.53000 -1.26000 -8.37000 -1.43000 7.07000 -11.07000 1.43000 4.24000 2.46000 0.00000 0.00000 0.00000 0.30000 0.42000 0.00000 -0.62000 0.00000 -1.34000 0.00000 2.38000 74.00000 SHO1_2VKN-8_7.PDB 2.82962 -10.72000 -0.52000 -1.12000 -9.05000 -1.54000 7.27000 -12.36000 0.12000 5.08000 2.63000 0.00000 0.00000 0.00000 0.71000 0.42000 0.00000 -0.32000 0.00000 -1.62000 0.00000 2.38000 74.00000 SHO1_2VKN-8_8.PDB 1.91521 -8.24000 -0.43000 -0.32000 -9.04000 -0.81000 6.90000 -12.36000 1.54000 4.67000 2.85000 0.00000 0.00000 0.00000 0.48000 0.34000 0.00000 -0.60000 0.00000 -1.12000 0.00000 2.38000 74.00000 SHO1_2VKN-8_9.PDB 1.58323 -8.91000 -0.53000 -1.16000 -8.44000 -1.08000 6.71000 -11.34000 1.64000 4.06000 2.38000 0.00000 0.00000 0.00000 0.26000 0.43000 0.00000 -0.30000 0.00000 -1.11000 0.00000 2.38000 74.00000 SHO1_2VKN-8_10.PDB 1.68724 -9.22000 -0.53000 -1.22000 -8.38000 -1.40000 6.93000 -11.14000 1.50000 4.31000 2.25000 0.00000 0.00000 0.00000 0.26000 0.39000 0.00000 -0.42000 0.00000 -1.37000 0.00000 2.38000 74.00000 SHO1_2VKN-8_11.PDB 1.78900 -9.37000 -0.56000 -1.11000 -8.68000 -1.28000 7.04000 -11.56000 1.65000 3.94000 2.41000 0.00000 0.00000 0.00000 0.40000 0.45000 0.00000 -0.29000 0.00000 -1.33000 0.00000 2.38000 74.00000 SHO1_2VKN-8_12.PDB 1.87489 -9.02000 -0.49000 -1.13000 -8.69000 -1.38000 6.89000 -11.95000 1.50000 4.78000 2.68000 0.00000 0.00000 0.00000 0.51000 0.39000 0.00000 -0.22000 0.00000 -1.50000 0.00000 2.38000 74.00000 SHO1_2VKN-8_13.PDB 2.25876 -7.94000 -1.41000 -1.97000 -8.67000 -1.24000 8.14000 -10.96000 1.33000 4.98000 3.01000 0.00000 0.00000 0.00000 0.45000 0.42000 0.00000 -0.41000 0.00000 -1.19000 0.00000 2.38000 74.00000 SHO1_2VKN-8_14.PDB 3.61263 -8.52000 -0.47000 -1.18000 -8.17000 -1.30000 7.49000 -10.74000 0.18000 4.21000 2.70000 0.00000 0.00000 0.00000 0.52000 0.39000 0.00000 -0.41000 0.00000 -1.36000 0.00000 2.38000 74.00000 SHO1_2VKN-8_15.PDB 2.24414 -9.16000 -0.10000 -0.95000 -8.55000 -1.64000 7.41000 -11.34000 0.14000 4.72000 2.37000 0.00000 0.00000 0.00000 0.48000 0.41000 0.00000 -0.37000 0.00000 -1.33000 0.00000 2.38000 74.00000 SHO1_2VKN-8_16.PDB 2.69263 -9.37000 -0.15000 -0.89000 -8.76000 -1.64000 7.35000 -11.65000 0.29000 4.96000 2.61000 0.00000 0.00000 0.00000 0.44000 0.29000 0.00000 -0.59000 0.00000 -1.35000 0.00000 2.38000 74.00000 SHO1_2VKN-8_17.PDB 2.18539 -9.70000 -0.47000 -1.25000 -8.47000 -1.69000 7.45000 -11.03000 0.32000 4.15000 2.40000 0.00000 0.00000 0.00000 0.70000 0.41000 0.00000 -0.42000 0.00000 -1.40000 0.00000 2.38000 74.00000 SHO1_2VKN-8_18.PDB 1.59477 -10.03000 -0.52000 -1.27000 -9.06000 -1.78000 7.73000 -11.86000 1.51000 4.37000 2.60000 0.00000 0.00000 0.00000 0.35000 0.41000 0.00000 -0.68000 0.00000 -1.41000 0.00000 2.38000 74.00000 SHO1_2VKN-8_19.PDB 1.53198 -9.25000 -0.83000 -0.73000 -8.71000 -1.17000 6.87000 -11.71000 1.73000 3.71000 2.52000 0.00000 0.00000 0.00000 0.45000 0.37000 0.00000 -0.08000 0.00000 -1.31000 0.00000 2.38000 74.00000 SHO1_2VKN-8_20.PDB 1.92026 -8.32000 -0.49000 -1.01000 -9.12000 -1.15000 7.55000 -12.14000 1.97000 4.56000 2.62000 0.00000 0.00000 0.00000 0.42000 0.45000 0.00000 -0.35000 0.00000 -1.16000 0.00000 2.38000 74.00000 SHO1_2VKN-8_21.PDB 2.48856 -8.35000 -0.50000 -0.40000 -8.58000 -1.02000 6.71000 -11.66000 0.99000 4.90000 2.54000 0.00000 0.00000 0.00000 0.34000 0.32000 0.00000 -0.35000 0.00000 -1.33000 0.00000 2.38000 74.00000 SHO1_2VKN-8_22.PDB 1.72074 -8.14000 -0.16000 -0.04000 -8.77000 -0.88000 6.49000 -12.12000 1.96000 4.18000 2.50000 0.00000 0.00000 0.00000 0.28000 0.28000 0.00000 -0.52000 0.00000 -1.06000 0.00000 2.38000 74.00000 SHO1_2VKN-8_23.PDB 2.58128 -10.28000 -0.54000 -0.40000 -8.48000 -0.79000 6.37000 -11.53000 0.25000 3.36000 2.35000 0.00000 0.00000 0.00000 0.63000 0.42000 0.00000 -0.51000 0.00000 -0.99000 0.00000 2.38000 74.00000 SHO1_2VKN-8_24.PDB 2.03004 -9.12000 -0.47000 -1.11000 -7.91000 -1.12000 6.52000 -10.59000 0.33000 3.78000 2.18000 0.00000 0.00000 0.00000 0.70000 0.41000 0.00000 -0.33000 0.00000 -1.10000 0.00000 2.38000 74.00000 SHO1_2VKN-8_25.PDB 1.92620 -9.16000 -0.52000 -1.15000 -8.38000 -1.23000 6.74000 -11.25000 1.39000 3.91000 2.32000 0.00000 0.00000 0.00000 0.52000 0.45000 0.00000 -0.25000 0.00000 -1.24000 0.00000 2.38000 74.00000 SHO1_2VKN-8_26.PDB 2.69265 -9.98000 -0.54000 -1.18000 -8.17000 -1.28000 6.68000 -10.97000 0.21000 3.91000 2.30000 0.00000 0.00000 0.00000 0.65000 0.46000 0.00000 -0.25000 0.00000 -1.33000 0.00000 2.38000 74.00000 SHO1_2VKN-8_27.PDB 1.69023 -9.71000 -0.53000 -1.24000 -8.98000 -1.75000 7.54000 -11.78000 1.57000 4.43000 2.37000 0.00000 0.00000 0.00000 0.37000 0.39000 0.00000 -0.26000 0.00000 -1.46000 0.00000 2.38000 74.00000 SHO1_2VKN-8_28.PDB 1.63148 -8.76000 -0.49000 -1.19000 -8.99000 -1.61000 7.66000 -11.92000 1.67000 4.68000 3.20000 0.00000 0.00000 0.00000 0.28000 0.44000 0.00000 -0.69000 0.00000 -1.34000 0.00000 2.38000 74.00000 SHO1_2VKN-8_29.PDB 2.73146 -7.57000 -0.97000 -1.75000 -8.64000 -1.80000 8.42000 -10.80000 0.32000 6.13000 3.10000 0.00000 0.00000 0.00000 0.30000 0.34000 0.00000 -0.38000 0.00000 -1.50000 0.00000 2.38000 74.00000 SHO1_2VKN-8_30.PDB 2.15014 -8.70000 -0.55000 -0.42000 -8.27000 -1.10000 7.14000 -10.87000 0.44000 3.98000 2.25000 0.00000 0.00000 0.00000 0.31000 0.38000 0.00000 -0.36000 0.00000 -1.26000 0.00000 2.38000 74.00000