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-14_1.PDB 3.24551 -13.16000 -0.91000 -3.42000 -8.50000 -4.73000 10.35000 -10.41000 0.25000 5.75000 3.07000 0.00000 0.00000 0.00000 0.36000 0.87000 0.00000 -1.50000 0.00000 -3.47000 0.00000 2.38000 75.00000 SHO1_2VKN-14_2.PDB 4.31226 -13.98000 -1.81000 -6.30000 -9.25000 -4.05000 11.49000 -11.44000 0.89000 7.84000 2.87000 0.00000 0.00000 0.00000 0.13000 1.12000 0.00000 -1.30000 0.00000 -3.06000 0.00000 2.38000 75.00000 SHO1_2VKN-14_3.PDB 4.16201 -14.74000 -0.89000 -5.36000 -8.72000 -4.09000 10.72000 -10.97000 0.33000 6.07000 2.57000 0.00000 0.00000 0.00000 0.23000 0.76000 0.00000 -1.58000 0.00000 -3.02000 0.00000 2.38000 75.00000 SHO1_2VKN-14_4.PDB 3.86304 -12.73000 -0.88000 -3.31000 -8.48000 -3.88000 9.82000 -10.79000 0.33000 5.83000 2.71000 0.00000 0.00000 0.00000 0.21000 0.87000 0.00000 -1.48000 0.00000 -2.83000 0.00000 2.38000 75.00000 SHO1_2VKN-14_5.PDB 1.69063 -11.18000 -0.95000 -3.28000 -7.73000 -3.77000 9.63000 -9.50000 0.28000 5.53000 3.01000 0.00000 0.00000 0.00000 0.04000 1.19000 0.00000 -1.64000 0.00000 -2.80000 0.00000 2.38000 75.00000 SHO1_2VKN-14_6.PDB 2.88944 -13.30000 -0.87000 -3.40000 -8.73000 -3.84000 9.43000 -11.33000 1.26000 6.20000 2.76000 0.00000 0.00000 0.00000 0.23000 0.72000 0.00000 -1.93000 0.00000 -3.08000 0.00000 2.38000 75.00000 SHO1_2VKN-14_7.PDB 2.40463 -13.20000 -0.88000 -2.26000 -9.02000 -4.20000 10.82000 -11.02000 0.34000 4.70000 3.02000 0.00000 0.00000 0.00000 0.11000 1.13000 0.00000 -1.46000 0.00000 -3.35000 0.00000 2.38000 75.00000 SHO1_2VKN-14_8.PDB 3.96844 -14.36000 -0.88000 -3.41000 -9.00000 -3.77000 9.94000 -11.56000 0.18000 6.31000 2.45000 0.00000 0.00000 0.00000 0.22000 0.75000 0.00000 -1.93000 0.00000 -2.90000 0.00000 2.38000 75.00000 SHO1_2VKN-14_9.PDB 3.47350 -12.00000 -0.91000 -4.37000 -8.30000 -3.83000 10.40000 -10.37000 0.44000 5.59000 2.60000 0.00000 0.00000 0.00000 0.33000 0.88000 0.00000 -0.99000 0.00000 -2.60000 0.00000 2.38000 75.00000 SHO1_2VKN-14_10.PDB 2.60803 -12.64000 -0.91000 -3.42000 -8.24000 -3.99000 9.59000 -10.37000 0.30000 5.62000 3.08000 0.00000 0.00000 0.00000 0.21000 0.89000 0.00000 -1.61000 0.00000 -2.90000 0.00000 2.38000 75.00000 SHO1_2VKN-14_11.PDB 2.93258 -12.75000 -0.90000 -5.57000 -8.23000 -4.30000 10.37000 -10.16000 1.87000 5.61000 2.83000 0.00000 0.00000 0.00000 0.07000 0.83000 0.00000 -1.57000 0.00000 -2.78000 0.00000 2.38000 75.00000 SHO1_2VKN-14_12.PDB 2.60515 -12.64000 -0.87000 -3.41000 -8.79000 -3.97000 10.09000 -11.12000 0.43000 6.51000 2.89000 0.00000 0.00000 0.00000 0.23000 0.93000 0.00000 -1.57000 0.00000 -3.08000 0.00000 2.38000 75.00000 SHO1_2VKN-14_13.PDB 3.36332 -13.50000 -0.93000 -3.15000 -8.67000 -3.75000 9.49000 -11.23000 0.29000 6.04000 2.84000 0.00000 0.00000 0.00000 0.24000 0.76000 0.00000 -1.87000 0.00000 -2.80000 0.00000 2.38000 75.00000 SHO1_2VKN-14_14.PDB 2.93377 -11.64000 -0.89000 -4.56000 -8.36000 -3.59000 10.59000 -10.48000 0.92000 6.04000 2.92000 0.00000 0.00000 0.00000 0.07000 0.76000 0.00000 -1.35000 0.00000 -2.96000 0.00000 2.38000 75.00000 SHO1_2VKN-14_15.PDB 3.43585 -12.91000 -0.91000 -5.26000 -8.12000 -4.64000 10.71000 -9.83000 0.41000 5.62000 3.15000 0.00000 0.00000 0.00000 0.20000 0.84000 0.00000 -1.00000 0.00000 -3.24000 0.00000 2.38000 75.00000 SHO1_2VKN-14_16.PDB 3.03820 -11.52000 -0.86000 -5.56000 -7.12000 -4.02000 10.28000 -8.46000 0.38000 5.35000 2.60000 0.00000 0.00000 0.00000 0.20000 0.91000 0.00000 -1.41000 0.00000 -2.88000 0.00000 2.38000 75.00000 SHO1_2VKN-14_17.PDB 2.49791 -14.06000 -0.94000 -3.41000 -8.52000 -3.72000 9.27000 -11.04000 0.22000 6.00000 2.28000 0.00000 0.00000 0.00000 0.06000 0.78000 0.00000 -1.46000 0.00000 -2.78000 0.00000 2.38000 75.00000 SHO1_2VKN-14_18.PDB 4.04869 -14.40000 -0.93000 -5.68000 -9.06000 -3.92000 10.83000 -11.31000 0.79000 6.56000 2.39000 0.00000 0.00000 0.00000 0.29000 0.85000 0.00000 -1.47000 0.00000 -2.89000 0.00000 2.38000 75.00000 SHO1_2VKN-14_19.PDB 3.77249 -13.23000 -0.88000 -2.53000 -9.65000 -3.51000 10.56000 -12.56000 0.44000 5.18000 2.53000 0.00000 0.00000 0.00000 0.23000 0.97000 0.00000 -0.72000 0.00000 -2.31000 0.00000 2.38000 75.00000 SHO1_2VKN-14_20.PDB 2.66936 -11.04000 -0.86000 -3.35000 -7.87000 -3.92000 10.02000 -9.58000 0.49000 5.93000 2.55000 0.00000 0.00000 0.00000 0.23000 0.95000 0.00000 -1.64000 0.00000 -3.02000 0.00000 2.38000 75.00000 SHO1_2VKN-14_21.PDB 3.55908 -12.15000 -0.87000 -2.46000 -9.15000 -2.47000 9.59000 -12.23000 0.56000 4.55000 2.46000 0.00000 0.00000 0.00000 0.06000 0.54000 0.00000 -0.65000 0.00000 -1.55000 0.00000 2.38000 75.00000 SHO1_2VKN-14_22.PDB 3.41669 -13.24000 -0.93000 -4.70000 -8.59000 -3.49000 10.00000 -11.12000 0.74000 6.05000 2.62000 0.00000 0.00000 0.00000 0.22000 0.72000 0.00000 -1.38000 0.00000 -2.66000 0.00000 2.38000 75.00000 SHO1_2VKN-14_23.PDB 3.65485 -12.78000 -0.90000 -4.11000 -9.01000 -4.90000 11.23000 -11.04000 0.44000 6.64000 3.05000 0.00000 0.00000 0.00000 0.29000 0.77000 0.00000 -0.75000 0.00000 -3.72000 0.00000 2.38000 75.00000 SHO1_2VKN-14_24.PDB 3.31038 -12.55000 -0.88000 -2.46000 -8.93000 -4.72000 11.56000 -10.51000 0.80000 4.53000 3.16000 0.00000 0.00000 0.00000 0.20000 0.96000 0.00000 -1.75000 0.00000 -3.57000 0.00000 2.38000 75.00000 SHO1_2VKN-14_25.PDB 3.23231 -13.77000 -0.86000 -3.35000 -8.54000 -3.71000 9.30000 -11.03000 0.15000 5.81000 2.62000 0.00000 0.00000 0.00000 0.20000 0.69000 0.00000 -1.54000 0.00000 -2.82000 0.00000 2.38000 75.00000 SHO1_2VKN-14_26.PDB 3.30235 -11.38000 -0.90000 -2.38000 -9.49000 -3.02000 10.50000 -12.39000 1.10000 5.03000 2.92000 0.00000 0.00000 0.00000 0.32000 1.10000 0.00000 -1.02000 0.00000 -2.04000 0.00000 2.38000 75.00000 SHO1_2VKN-14_27.PDB 2.30815 -15.10000 -0.92000 -5.54000 -8.70000 -4.12000 10.48000 -11.05000 0.20000 6.16000 2.64000 0.00000 0.00000 0.00000 0.06000 0.96000 0.00000 -1.33000 0.00000 -2.99000 0.00000 2.38000 75.00000 SHO1_2VKN-14_28.PDB 3.10388 -12.85000 -0.91000 -5.37000 -8.34000 -3.80000 10.80000 -10.24000 0.44000 6.02000 2.84000 0.00000 0.00000 0.00000 0.11000 0.79000 0.00000 -1.54000 0.00000 -2.87000 0.00000 2.38000 75.00000 SHO1_2VKN-14_29.PDB 3.98095 -12.75000 -0.89000 -3.39000 -8.78000 -5.09000 11.05000 -10.73000 0.31000 6.79000 2.82000 0.00000 0.00000 0.00000 0.19000 0.70000 0.00000 -1.03000 0.00000 -3.99000 0.00000 2.38000 75.00000 SHO1_2VKN-14_30.PDB 3.48766 -10.98000 -0.95000 -2.53000 -8.60000 -3.61000 10.12000 -10.57000 0.95000 5.65000 2.89000 0.00000 0.00000 0.00000 0.24000 0.81000 0.00000 -1.87000 0.00000 -2.70000 0.00000 2.38000 75.00000