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-25_1.PDB 1.51646 -11.39000 -1.36000 -2.60000 -9.17000 -3.35000 8.87000 -11.16000 2.13000 7.61000 2.06000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -1.05000 0.00000 -3.43000 0.00000 2.38000 75.00000 SHO1_2VKN-25_2.PDB 1.35674 -11.13000 -1.36000 -2.41000 -10.14000 -3.51000 10.74000 -11.53000 2.17000 7.18000 1.98000 0.00000 0.00000 0.00000 0.07000 0.56000 0.00000 -1.05000 0.00000 -3.27000 0.00000 2.38000 75.00000 SHO1_2VKN-25_3.PDB 1.63201 -9.61000 -1.32000 -2.11000 -9.12000 -3.06000 9.57000 -10.61000 2.00000 6.53000 2.15000 0.00000 0.00000 0.00000 0.06000 0.31000 0.00000 -0.95000 0.00000 -2.74000 0.00000 2.38000 75.00000 SHO1_2VKN-25_4.PDB 1.44571 -9.42000 -1.34000 -2.86000 -8.94000 -3.42000 10.58000 -10.17000 2.43000 6.19000 1.88000 0.00000 0.00000 0.00000 0.04000 0.28000 0.00000 -0.82000 0.00000 -3.00000 0.00000 2.38000 75.00000 SHO1_2VKN-25_5.PDB 1.37290 -10.82000 -1.38000 -2.61000 -9.77000 -2.96000 9.63000 -11.73000 2.15000 7.13000 2.24000 0.00000 0.00000 0.00000 0.07000 0.59000 0.00000 -0.86000 0.00000 -2.73000 0.00000 2.38000 75.00000 SHO1_2VKN-25_6.PDB 1.67303 -9.82000 -1.36000 -2.69000 -9.33000 -2.83000 9.62000 -11.04000 2.16000 7.31000 2.02000 0.00000 0.00000 0.00000 0.06000 0.39000 0.00000 -1.06000 0.00000 -2.67000 0.00000 2.38000 75.00000 SHO1_2VKN-25_7.PDB 2.12094 -10.39000 -1.39000 -2.17000 -9.87000 -3.07000 9.99000 -11.56000 2.27000 6.92000 1.81000 0.00000 0.00000 0.00000 0.08000 0.58000 0.00000 -0.56000 0.00000 -2.85000 0.00000 2.38000 75.00000 SHO1_2VKN-25_8.PDB 1.46191 -9.68000 -1.35000 -2.17000 -9.70000 -2.86000 10.25000 -11.24000 2.01000 7.04000 2.30000 0.00000 0.00000 0.00000 0.06000 0.40000 0.00000 -1.17000 0.00000 -2.84000 0.00000 2.38000 75.00000 SHO1_2VKN-25_9.PDB 1.14992 -11.40000 -1.39000 -2.67000 -9.86000 -3.58000 10.54000 -11.18000 2.40000 7.39000 1.54000 0.00000 0.00000 0.00000 0.06000 0.58000 0.00000 -1.48000 0.00000 -3.17000 0.00000 2.38000 75.00000 SHO1_2VKN-25_10.PDB 1.66561 -8.96000 -1.32000 -2.40000 -9.58000 -3.05000 10.06000 -10.99000 2.26000 7.38000 2.10000 0.00000 0.00000 0.00000 0.07000 0.36000 0.00000 -0.67000 0.00000 -2.83000 0.00000 2.38000 75.00000 SHO1_2VKN-25_11.PDB 1.45333 -9.69000 -1.36000 -2.57000 -9.51000 -3.52000 10.29000 -10.88000 2.32000 7.83000 2.48000 0.00000 0.00000 0.00000 0.07000 0.41000 0.00000 -1.56000 0.00000 -3.29000 0.00000 2.38000 75.00000 SHO1_2VKN-25_12.PDB 2.40468 -10.39000 -1.31000 -2.92000 -9.24000 -4.27000 10.58000 -10.57000 2.20000 7.71000 2.22000 0.00000 0.00000 0.00000 0.10000 0.31000 0.00000 -1.35000 0.00000 -3.55000 0.00000 2.38000 75.00000 SHO1_2VKN-25_13.PDB 1.82604 -11.09000 -2.29000 -4.40000 -10.09000 -3.91000 12.24000 -11.13000 2.25000 9.20000 2.37000 0.00000 0.00000 0.00000 0.05000 0.63000 0.00000 -1.99000 0.00000 -3.38000 0.00000 2.38000 75.00000 SHO1_2VKN-25_14.PDB 1.63107 -9.75000 -1.34000 -2.08000 -8.82000 -3.25000 9.12000 -10.52000 2.57000 6.34000 1.77000 0.00000 0.00000 0.00000 0.06000 0.33000 0.00000 -0.69000 0.00000 -2.93000 0.00000 2.38000 75.00000 SHO1_2VKN-25_15.PDB 2.92445 -12.14000 -1.42000 -4.41000 -10.13000 -3.29000 11.76000 -11.10000 2.39000 7.15000 1.43000 0.00000 0.00000 0.00000 0.06000 0.65000 0.00000 -1.45000 0.00000 -3.12000 0.00000 2.38000 75.00000 SHO1_2VKN-25_16.PDB 1.71998 -9.85000 -1.37000 -2.75000 -8.69000 -2.99000 9.26000 -10.31000 1.97000 6.74000 2.16000 0.00000 0.00000 0.00000 0.08000 0.31000 0.00000 -1.31000 0.00000 -2.65000 0.00000 2.38000 75.00000 SHO1_2VKN-25_17.PDB 1.84551 -9.17000 -1.37000 -2.37000 -8.74000 -2.76000 9.15000 -10.30000 2.20000 6.58000 1.86000 0.00000 0.00000 0.00000 0.07000 0.29000 0.00000 -1.11000 0.00000 -2.40000 0.00000 2.38000 75.00000 SHO1_2VKN-25_18.PDB 1.57520 -10.08000 -1.28000 -2.43000 -9.14000 -3.61000 10.07000 -10.51000 2.05000 7.72000 1.93000 0.00000 0.00000 0.00000 0.07000 0.27000 0.00000 -1.76000 0.00000 -3.19000 0.00000 2.38000 75.00000 SHO1_2VKN-25_19.PDB 1.73231 -8.93000 -1.30000 -2.09000 -9.12000 -3.26000 9.93000 -10.60000 2.02000 7.31000 2.25000 0.00000 0.00000 0.00000 0.07000 0.23000 0.00000 -1.25000 0.00000 -2.89000 0.00000 2.38000 75.00000 SHO1_2VKN-25_20.PDB 1.65320 -9.55000 -1.35000 -2.11000 -8.97000 -2.84000 9.57000 -10.27000 2.21000 6.38000 1.40000 0.00000 0.00000 0.00000 0.06000 0.29000 0.00000 -1.05000 0.00000 -2.58000 0.00000 2.38000 75.00000 SHO1_2VKN-25_21.PDB 1.48432 -9.83000 -1.36000 -2.62000 -9.04000 -3.45000 9.97000 -10.26000 2.20000 7.00000 1.95000 0.00000 0.00000 0.00000 0.07000 0.34000 0.00000 -1.21000 0.00000 -3.09000 0.00000 2.38000 75.00000 SHO1_2VKN-25_22.PDB 1.75060 -9.34000 -1.29000 -2.61000 -9.00000 -3.73000 10.14000 -10.13000 2.14000 7.19000 2.31000 0.00000 0.00000 0.00000 0.06000 0.31000 0.00000 -1.20000 0.00000 -3.24000 0.00000 2.38000 75.00000 SHO1_2VKN-25_23.PDB 1.66868 -10.31000 -1.41000 -2.91000 -9.76000 -4.16000 11.11000 -10.90000 2.13000 7.76000 2.50000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -1.18000 0.00000 -3.55000 0.00000 2.38000 75.00000 SHO1_2VKN-25_24.PDB 1.75360 -10.23000 -1.32000 -2.87000 -9.79000 -4.13000 11.04000 -11.00000 2.26000 8.33000 2.18000 0.00000 0.00000 0.00000 0.07000 0.43000 0.00000 -1.41000 0.00000 -3.58000 0.00000 2.38000 75.00000 SHO1_2VKN-25_25.PDB 1.62480 -10.54000 -1.42000 -2.08000 -9.28000 -2.99000 9.09000 -11.11000 2.03000 6.68000 2.12000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -0.93000 0.00000 -2.70000 0.00000 2.38000 75.00000 SHO1_2VKN-25_26.PDB 1.88820 -8.77000 -1.16000 -3.55000 -9.37000 -3.16000 11.75000 -10.24000 2.17000 6.70000 2.07000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -1.31000 0.00000 -2.74000 0.00000 2.38000 75.00000 SHO1_2VKN-25_27.PDB 1.70967 -10.01000 -1.37000 -2.59000 -9.79000 -2.88000 10.02000 -11.69000 2.17000 7.70000 2.00000 0.00000 0.00000 0.00000 0.06000 0.37000 0.00000 -0.94000 0.00000 -2.70000 0.00000 2.38000 75.00000 SHO1_2VKN-25_28.PDB 2.07477 -8.27000 -1.32000 -3.90000 -9.45000 -3.41000 12.10000 -10.04000 2.34000 7.02000 1.85000 0.00000 0.00000 0.00000 0.09000 0.37000 0.00000 -0.80000 0.00000 -2.76000 0.00000 2.38000 75.00000 SHO1_2VKN-25_29.PDB 1.49738 -8.81000 -1.23000 -2.80000 -9.07000 -2.93000 10.41000 -10.53000 2.51000 6.43000 2.22000 0.00000 0.00000 0.00000 0.03000 0.39000 0.00000 -0.99000 0.00000 -2.87000 0.00000 2.38000 75.00000 SHO1_2VKN-25_30.PDB 1.45581 -10.32000 -1.34000 -2.93000 -9.24000 -2.52000 9.86000 -11.12000 2.21000 6.07000 1.49000 0.00000 0.00000 0.00000 0.04000 0.52000 0.00000 -0.45000 0.00000 -2.39000 0.00000 2.38000 75.00000