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-29_1.PDB 1.72683 -12.23000 -1.51000 -4.92000 -8.07000 -3.41000 9.81000 -9.41000 1.39000 5.22000 3.28000 0.00000 0.00000 0.00000 0.15000 0.47000 0.00000 -1.40000 0.00000 -3.36000 0.00000 2.38000 76.00000 SHO1_2VKN-29_2.PDB 2.05563 -17.88000 -0.80000 -6.01000 -10.30000 -5.22000 12.13000 -11.85000 1.11000 6.34000 1.89000 0.00000 0.00000 0.00000 0.23000 0.44000 0.00000 -1.27000 0.00000 -4.13000 0.00000 2.38000 76.00000 SHO1_2VKN-29_3.PDB 2.02675 -16.27000 -2.88000 -7.32000 -9.24000 -6.42000 13.15000 -9.73000 1.05000 7.01000 3.81000 0.00000 0.00000 0.00000 0.10000 0.47000 0.00000 -1.32000 0.00000 -4.49000 0.00000 2.38000 76.00000 SHO1_2VKN-29_4.PDB 1.61143 -14.05000 -0.66000 -5.40000 -8.40000 -3.94000 10.29000 -10.10000 1.27000 4.65000 2.14000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.58000 0.00000 -3.38000 0.00000 2.38000 76.00000 SHO1_2VKN-29_5.PDB 2.52741 -15.10000 -1.24000 -5.75000 -8.94000 -4.08000 11.21000 -10.18000 1.05000 5.34000 2.21000 0.00000 0.00000 0.00000 0.38000 0.49000 0.00000 -1.56000 0.00000 -3.55000 0.00000 2.38000 76.00000 SHO1_2VKN-29_6.PDB 2.24207 -16.84000 -1.43000 -7.00000 -9.22000 -5.31000 11.82000 -10.19000 1.38000 5.74000 2.49000 0.00000 0.00000 0.00000 0.16000 0.43000 0.00000 -1.21000 0.00000 -4.07000 0.00000 2.38000 76.00000 SHO1_2VKN-29_7.PDB 1.88814 -9.93000 -2.01000 -2.73000 -6.57000 -2.79000 7.57000 -7.98000 0.96000 4.96000 3.40000 0.00000 0.00000 0.00000 0.07000 0.24000 0.00000 -1.43000 0.00000 -3.38000 0.00000 2.38000 76.00000 SHO1_2VKN-29_8.PDB 1.90146 -12.73000 -1.22000 -2.86000 -8.38000 -4.17000 9.41000 -10.12000 1.15000 5.42000 2.46000 0.00000 0.00000 0.00000 0.11000 0.45000 0.00000 -0.90000 0.00000 -3.62000 0.00000 2.38000 76.00000 SHO1_2VKN-29_9.PDB 1.36568 -11.98000 -1.24000 -3.00000 -8.06000 -2.93000 8.36000 -10.11000 1.27000 5.92000 2.53000 0.00000 0.00000 0.00000 0.02000 0.38000 0.00000 -1.56000 0.00000 -3.16000 0.00000 2.38000 76.00000 SHO1_2VKN-29_10.PDB 1.65813 -11.11000 -2.13000 -3.35000 -7.01000 -2.94000 8.76000 -8.18000 0.94000 4.65000 2.68000 0.00000 0.00000 0.00000 0.06000 0.31000 0.00000 -1.11000 0.00000 -3.48000 0.00000 2.38000 76.00000 SHO1_2VKN-29_11.PDB 1.68882 -10.90000 -1.18000 -2.64000 -7.97000 -1.99000 8.38000 -9.84000 1.23000 4.60000 2.20000 0.00000 0.00000 0.00000 0.08000 0.39000 0.00000 -1.19000 0.00000 -2.60000 0.00000 2.38000 76.00000 SHO1_2VKN-29_12.PDB 2.69167 -14.46000 -1.21000 -5.66000 -9.72000 -4.39000 11.49000 -11.14000 1.31000 7.22000 3.22000 0.00000 0.00000 0.00000 0.12000 0.72000 0.00000 -1.93000 0.00000 -3.77000 0.00000 2.38000 76.00000 SHO1_2VKN-29_13.PDB 1.50637 -11.08000 -1.31000 -3.01000 -7.86000 -3.06000 9.66000 -9.04000 1.00000 4.24000 2.71000 0.00000 0.00000 0.00000 0.06000 0.20000 0.00000 -1.05000 0.00000 -3.41000 0.00000 2.38000 76.00000 SHO1_2VKN-29_14.PDB 1.50443 -15.56000 -2.92000 -6.55000 -9.31000 -5.13000 11.50000 -10.68000 2.21000 7.89000 3.30000 0.00000 0.00000 0.00000 0.02000 0.36000 0.00000 -1.85000 0.00000 -4.04000 0.00000 2.38000 76.00000 SHO1_2VKN-29_15.PDB 1.88430 -14.98000 -2.86000 -7.28000 -9.89000 -5.49000 13.29000 -10.99000 2.57000 8.18000 2.87000 0.00000 0.00000 0.00000 0.07000 0.37000 0.00000 -1.23000 0.00000 -4.22000 0.00000 2.38000 76.00000 SHO1_2VKN-29_16.PDB 1.65876 -15.80000 -1.28000 -4.82000 -9.95000 -5.26000 11.48000 -11.38000 1.16000 6.90000 2.99000 0.00000 0.00000 0.00000 0.17000 0.75000 0.00000 -1.73000 0.00000 -4.08000 0.00000 2.38000 76.00000 SHO1_2VKN-29_17.PDB 1.76254 -10.50000 -1.06000 -0.98000 -8.55000 -3.43000 9.02000 -10.41000 1.01000 5.67000 3.29000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -1.91000 0.00000 -3.23000 0.00000 2.38000 76.00000 SHO1_2VKN-29_18.PDB 2.49229 -13.80000 -1.23000 -6.42000 -10.10000 -4.43000 12.05000 -11.59000 2.26000 7.52000 3.24000 0.00000 0.00000 0.00000 0.37000 0.79000 0.00000 -1.64000 0.00000 -3.82000 0.00000 2.38000 76.00000 SHO1_2VKN-29_19.PDB 2.30118 -17.90000 -1.27000 -5.97000 -10.23000 -5.94000 11.63000 -11.73000 1.47000 7.38000 2.14000 0.00000 0.00000 0.00000 0.24000 0.53000 0.00000 -1.40000 0.00000 -4.22000 0.00000 2.38000 76.00000 SHO1_2VKN-29_20.PDB 1.90873 -15.73000 -3.76000 -8.62000 -9.50000 -5.86000 13.56000 -10.26000 3.13000 8.80000 3.03000 0.00000 0.00000 0.00000 0.07000 0.25000 0.00000 -1.72000 0.00000 -4.59000 0.00000 2.38000 76.00000 SHO1_2VKN-29_21.PDB 2.11640 -17.30000 -2.77000 -7.59000 -9.86000 -5.81000 12.94000 -10.80000 1.55000 8.33000 2.97000 0.00000 0.00000 0.00000 0.05000 0.40000 0.00000 -1.67000 0.00000 -4.65000 0.00000 2.38000 76.00000 SHO1_2VKN-29_22.PDB 2.51261 -14.83000 -1.28000 -3.71000 -8.92000 -5.29000 10.30000 -10.44000 1.28000 5.95000 3.19000 0.00000 0.00000 0.00000 0.08000 0.51000 0.00000 -1.73000 0.00000 -4.26000 0.00000 2.38000 76.00000 SHO1_2VKN-29_23.PDB 2.63756 -20.07000 -2.85000 -8.78000 -10.06000 -7.06000 13.91000 -10.65000 0.95000 8.49000 3.43000 0.00000 0.00000 0.00000 0.17000 0.75000 0.00000 -2.38000 0.00000 -5.24000 0.00000 2.38000 76.00000 SHO1_2VKN-29_24.PDB 2.00536 -13.43000 -3.21000 -6.93000 -10.24000 -5.48000 13.31000 -11.09000 2.38000 9.34000 3.27000 0.00000 0.00000 0.00000 0.14000 0.52000 0.00000 -0.50000 0.00000 -4.43000 0.00000 2.38000 76.00000 SHO1_2VKN-29_25.PDB 2.27550 -18.84000 -3.71000 -8.53000 -9.58000 -7.21000 13.37000 -10.25000 1.91000 8.88000 2.96000 0.00000 0.00000 0.00000 0.07000 0.26000 0.00000 -1.71000 0.00000 -5.05000 0.00000 2.38000 76.00000 SHO1_2VKN-29_26.PDB 2.57062 -19.39000 -2.89000 -9.05000 -10.98000 -6.33000 14.11000 -11.99000 2.32000 9.94000 2.87000 0.00000 0.00000 0.00000 0.12000 0.75000 0.00000 -2.84000 0.00000 -4.66000 0.00000 2.38000 76.00000 SHO1_2VKN-29_27.PDB 1.89375 -13.18000 -0.86000 -4.69000 -8.85000 -3.64000 10.32000 -10.47000 1.08000 5.78000 2.61000 0.00000 0.00000 0.00000 0.09000 0.44000 0.00000 -1.34000 0.00000 -3.22000 0.00000 2.38000 76.00000 SHO1_2VKN-29_28.PDB 2.47559 -14.03000 -1.06000 -4.00000 -8.43000 -3.25000 9.14000 -10.40000 1.26000 5.55000 1.81000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -1.44000 0.00000 -3.26000 0.00000 2.38000 76.00000 SHO1_2VKN-29_29.PDB 1.56406 -15.20000 -2.83000 -7.28000 -10.14000 -5.47000 13.75000 -11.20000 2.39000 8.34000 3.36000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -1.92000 0.00000 -4.26000 0.00000 2.38000 76.00000 SHO1_2VKN-29_30.PDB 2.12435 -12.67000 -1.12000 -5.83000 -9.00000 -3.69000 10.50000 -10.20000 1.88000 6.55000 3.06000 0.00000 0.00000 0.00000 0.27000 0.41000 0.00000 -1.70000 0.00000 -3.39000 0.00000 2.38000 76.00000