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-13_1.PDB 1.20344 -13.78000 -3.77000 -4.37000 -10.31000 -3.56000 11.87000 -11.00000 1.27000 7.75000 2.13000 0.00000 0.00000 0.00000 0.13000 0.65000 0.00000 -1.05000 0.00000 -2.88000 0.00000 2.38000 74.00000 SHO1_2VKN-13_2.PDB 1.20745 -13.46000 -2.98000 -3.76000 -9.94000 -4.35000 11.62000 -10.64000 1.36000 7.29000 1.98000 0.00000 0.00000 0.00000 0.13000 0.66000 0.00000 -0.94000 0.00000 -3.22000 0.00000 2.38000 74.00000 SHO1_2VKN-13_3.PDB 1.53926 -12.77000 -3.65000 -3.57000 -9.99000 -3.31000 11.69000 -10.47000 0.17000 7.67000 2.37000 0.00000 0.00000 0.00000 0.19000 0.71000 0.00000 -1.19000 0.00000 -2.68000 0.00000 2.38000 74.00000 SHO1_2VKN-13_4.PDB 1.18853 -13.34000 -2.52000 -3.26000 -9.54000 -3.17000 10.72000 -10.63000 0.31000 6.59000 1.93000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -1.17000 0.00000 -2.69000 0.00000 2.38000 74.00000 SHO1_2VKN-13_5.PDB 1.22953 -15.27000 -3.60000 -5.12000 -9.93000 -4.61000 12.17000 -10.33000 0.17000 8.61000 1.94000 0.00000 0.00000 0.00000 0.09000 0.56000 0.00000 -1.28000 0.00000 -3.38000 0.00000 2.38000 74.00000 SHO1_2VKN-13_6.PDB 1.43143 -13.76000 -3.64000 -3.51000 -10.40000 -3.88000 12.57000 -10.97000 0.17000 7.50000 2.64000 0.00000 0.00000 0.00000 0.22000 0.62000 0.00000 -1.35000 0.00000 -3.11000 0.00000 2.38000 74.00000 SHO1_2VKN-13_7.PDB 1.58545 -14.58000 -4.57000 -5.34000 -9.87000 -4.45000 12.72000 -9.75000 0.42000 8.85000 2.46000 0.00000 0.00000 0.00000 0.17000 0.68000 0.00000 -1.77000 0.00000 -3.44000 0.00000 2.38000 74.00000 SHO1_2VKN-13_8.PDB 1.68688 -14.59000 -2.66000 -3.38000 -9.74000 -4.60000 11.64000 -10.40000 0.12000 7.18000 1.46000 0.00000 0.00000 0.00000 0.15000 0.52000 0.00000 -1.39000 0.00000 -2.96000 0.00000 2.38000 74.00000 SHO1_2VKN-13_9.PDB 1.09607 -14.41000 -4.26000 -4.27000 -10.14000 -4.49000 13.09000 -10.70000 0.25000 7.99000 2.91000 0.00000 0.00000 0.00000 0.11000 0.58000 0.00000 -1.27000 0.00000 -3.62000 0.00000 2.38000 74.00000 SHO1_2VKN-13_10.PDB 1.44693 -14.32000 -3.66000 -4.16000 -10.09000 -3.88000 12.00000 -10.78000 0.25000 7.99000 2.52000 0.00000 0.00000 0.00000 0.15000 0.56000 0.00000 -1.49000 0.00000 -3.16000 0.00000 2.38000 74.00000 SHO1_2VKN-13_11.PDB 1.45260 -12.25000 -3.33000 -3.94000 -9.74000 -2.73000 11.29000 -10.30000 0.28000 7.81000 1.88000 0.00000 0.00000 0.00000 0.13000 0.63000 0.00000 -1.08000 0.00000 -2.52000 0.00000 2.38000 74.00000 SHO1_2VKN-13_12.PDB 1.46421 -16.44000 -3.32000 -7.13000 -9.88000 -4.79000 12.81000 -9.81000 0.43000 8.48000 1.96000 0.00000 0.00000 0.00000 0.12000 0.57000 0.00000 -1.78000 0.00000 -3.53000 0.00000 2.38000 74.00000 SHO1_2VKN-13_13.PDB 1.58968 -13.33000 -4.48000 -4.89000 -10.13000 -4.29000 13.03000 -10.08000 0.32000 9.09000 2.61000 0.00000 0.00000 0.00000 0.11000 0.73000 0.00000 -1.29000 0.00000 -3.32000 0.00000 2.38000 74.00000 SHO1_2VKN-13_14.PDB 1.28085 -14.35000 -3.54000 -4.19000 -9.63000 -3.26000 11.05000 -10.43000 0.20000 7.67000 1.47000 0.00000 0.00000 0.00000 0.11000 0.54000 0.00000 -1.27000 0.00000 -2.54000 0.00000 2.38000 74.00000 SHO1_2VKN-13_15.PDB 1.76140 -13.79000 -3.67000 -4.64000 -9.95000 -4.03000 11.96000 -10.58000 0.69000 7.92000 2.56000 0.00000 0.00000 0.00000 0.10000 0.61000 0.00000 -0.95000 0.00000 -3.20000 0.00000 2.38000 74.00000 SHO1_2VKN-13_16.PDB 1.54461 -14.32000 -3.76000 -4.59000 -10.26000 -4.64000 12.52000 -10.79000 1.55000 7.84000 2.57000 0.00000 0.00000 0.00000 0.16000 0.65000 0.00000 -1.51000 0.00000 -3.41000 0.00000 2.38000 74.00000 SHO1_2VKN-13_17.PDB 1.64054 -13.57000 -5.23000 -6.10000 -10.86000 -3.83000 14.26000 -10.98000 1.09000 9.22000 2.66000 0.00000 0.00000 0.00000 0.16000 0.77000 0.00000 -1.38000 0.00000 -2.60000 0.00000 2.38000 74.00000 SHO1_2VKN-13_18.PDB 1.72449 -12.47000 -4.11000 -4.75000 -9.82000 -3.27000 12.30000 -10.05000 0.11000 8.95000 2.23000 0.00000 0.00000 0.00000 0.13000 0.64000 0.00000 -1.18000 0.00000 -3.00000 0.00000 2.38000 74.00000 SHO1_2VKN-13_19.PDB 1.46460 -17.07000 -4.37000 -8.28000 -10.74000 -5.62000 14.41000 -10.33000 0.33000 10.24000 3.12000 0.00000 0.00000 0.00000 0.13000 0.75000 0.00000 -1.81000 0.00000 -4.17000 0.00000 2.38000 74.00000 SHO1_2VKN-13_20.PDB 1.08806 -12.89000 -2.76000 -3.52000 -9.75000 -2.92000 11.01000 -10.93000 0.24000 6.68000 2.06000 0.00000 0.00000 0.00000 0.12000 0.52000 0.00000 -0.79000 0.00000 -2.32000 0.00000 2.38000 74.00000 SHO1_2VKN-13_21.PDB 1.19968 -13.20000 -3.52000 -3.70000 -9.97000 -3.37000 11.42000 -10.89000 0.38000 7.69000 2.31000 0.00000 0.00000 0.00000 0.10000 0.58000 0.00000 -1.03000 0.00000 -2.61000 0.00000 2.38000 74.00000 SHO1_2VKN-13_22.PDB 1.14826 -13.59000 -3.50000 -3.55000 -9.62000 -3.36000 11.17000 -10.40000 0.18000 7.70000 1.59000 0.00000 0.00000 0.00000 0.07000 0.57000 0.00000 -1.07000 0.00000 -2.78000 0.00000 2.38000 74.00000 SHO1_2VKN-13_23.PDB 1.09262 -13.88000 -2.00000 -3.34000 -9.59000 -3.98000 10.60000 -10.64000 0.29000 6.79000 1.42000 0.00000 0.00000 0.00000 0.10000 0.54000 0.00000 -0.62000 0.00000 -2.92000 0.00000 2.38000 74.00000 SHO1_2VKN-13_24.PDB 2.09555 -13.99000 -3.84000 -4.79000 -10.15000 -4.37000 12.43000 -10.40000 0.09000 9.07000 2.23000 0.00000 0.00000 0.00000 0.29000 0.73000 0.00000 -1.55000 0.00000 -2.99000 0.00000 2.38000 74.00000 SHO1_2VKN-13_25.PDB 1.05548 -13.67000 -3.70000 -3.55000 -9.38000 -3.16000 10.71000 -10.30000 0.14000 7.34000 1.65000 0.00000 0.00000 0.00000 0.07000 0.53000 0.00000 -0.81000 0.00000 -2.68000 0.00000 2.38000 74.00000 SHO1_2VKN-13_26.PDB 1.60238 -14.26000 -4.95000 -5.70000 -10.74000 -4.87000 14.54000 -10.58000 1.18000 9.05000 2.71000 0.00000 0.00000 0.00000 0.18000 0.73000 0.00000 -1.57000 0.00000 -3.51000 0.00000 2.38000 74.00000 SHO1_2VKN-13_27.PDB 1.73004 -13.56000 -4.18000 -4.78000 -10.30000 -4.18000 13.47000 -10.40000 0.48000 8.83000 2.23000 0.00000 0.00000 0.00000 0.11000 0.76000 0.00000 -1.46000 0.00000 -3.37000 0.00000 2.38000 74.00000 SHO1_2VKN-13_28.PDB 1.55490 -13.73000 -3.59000 -3.57000 -9.72000 -3.15000 11.01000 -10.67000 0.22000 7.31000 2.07000 0.00000 0.00000 0.00000 0.22000 0.57000 0.00000 -1.20000 0.00000 -2.66000 0.00000 2.38000 74.00000 SHO1_2VKN-13_29.PDB 1.26312 -15.60000 -4.03000 -4.70000 -9.99000 -3.96000 12.32000 -10.63000 0.19000 7.66000 2.18000 0.00000 0.00000 0.00000 0.08000 0.54000 0.00000 -1.72000 0.00000 -3.00000 0.00000 2.38000 74.00000 SHO1_2VKN-13_30.PDB 1.62942 -12.74000 -3.63000 -4.44000 -9.98000 -3.61000 12.22000 -10.29000 1.06000 7.65000 2.36000 0.00000 0.00000 0.00000 0.12000 0.75000 0.00000 -1.52000 0.00000 -2.67000 0.00000 2.38000 74.00000