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-28_1.PDB 2.12169 -20.61000 -3.16000 -7.88000 -10.75000 -4.45000 12.70000 -11.91000 0.45000 9.03000 1.70000 0.00000 0.00000 0.00000 0.07000 0.84000 0.00000 -2.63000 0.00000 -3.76000 0.00000 2.38000 76.00000 SHO1_2VKN-28_2.PDB 1.49992 -18.37000 -2.11000 -5.48000 -10.71000 -4.23000 11.92000 -12.16000 0.53000 7.30000 2.06000 0.00000 0.00000 0.00000 0.08000 0.89000 0.00000 -1.90000 0.00000 -3.66000 0.00000 2.38000 76.00000 SHO1_2VKN-28_3.PDB 1.56482 -17.59000 -2.31000 -5.70000 -10.24000 -4.35000 11.67000 -11.66000 0.29000 8.80000 2.11000 0.00000 0.00000 0.00000 0.06000 0.80000 0.00000 -2.42000 0.00000 -3.85000 0.00000 2.38000 76.00000 SHO1_2VKN-28_4.PDB 1.43193 -18.98000 -2.16000 -5.71000 -10.43000 -4.41000 11.88000 -11.74000 0.17000 7.60000 1.64000 0.00000 0.00000 0.00000 0.07000 0.88000 0.00000 -2.14000 0.00000 -3.74000 0.00000 2.38000 76.00000 SHO1_2VKN-28_5.PDB 1.49331 -16.63000 -2.30000 -3.11000 -9.33000 -4.11000 10.63000 -10.39000 0.34000 5.89000 2.03000 0.00000 0.00000 0.00000 0.08000 0.74000 0.00000 -2.73000 0.00000 -3.63000 0.00000 2.38000 76.00000 SHO1_2VKN-28_6.PDB 1.29414 -18.07000 -2.65000 -4.41000 -10.16000 -4.67000 11.58000 -11.46000 0.39000 7.81000 2.21000 0.00000 0.00000 0.00000 0.07000 0.78000 0.00000 -2.68000 0.00000 -4.10000 0.00000 2.38000 76.00000 SHO1_2VKN-28_7.PDB 1.42384 -18.54000 -2.26000 -3.76000 -11.01000 -4.18000 11.78000 -12.50000 0.29000 7.27000 2.29000 0.00000 0.00000 0.00000 0.09000 1.01000 0.00000 -2.72000 0.00000 -3.83000 0.00000 2.38000 76.00000 SHO1_2VKN-28_8.PDB 2.15581 -18.27000 -2.25000 -7.50000 -9.78000 -4.87000 11.90000 -10.54000 0.52000 8.36000 2.37000 0.00000 0.00000 0.00000 0.08000 0.71000 0.00000 -2.29000 0.00000 -4.28000 0.00000 2.38000 76.00000 SHO1_2VKN-28_9.PDB 2.30585 -18.92000 -2.14000 -5.98000 -10.34000 -4.40000 11.69000 -11.67000 0.58000 8.22000 1.54000 0.00000 0.00000 0.00000 0.07000 0.86000 0.00000 -2.58000 0.00000 -3.90000 0.00000 2.38000 76.00000 SHO1_2VKN-28_10.PDB 1.79228 -17.20000 -2.04000 -5.36000 -10.24000 -4.01000 12.18000 -11.18000 0.36000 6.65000 2.14000 0.00000 0.00000 0.00000 0.10000 1.00000 0.00000 -2.31000 0.00000 -3.50000 0.00000 2.38000 76.00000 SHO1_2VKN-28_11.PDB 2.23979 -18.89000 -2.20000 -6.98000 -9.92000 -4.61000 11.55000 -10.68000 0.29000 8.03000 1.96000 0.00000 0.00000 0.00000 0.07000 0.84000 0.00000 -2.41000 0.00000 -3.98000 0.00000 2.38000 76.00000 SHO1_2VKN-28_12.PDB 2.25638 -17.57000 -2.99000 -6.93000 -11.34000 -4.99000 14.38000 -12.46000 0.51000 9.60000 2.72000 0.00000 0.00000 0.00000 0.08000 0.83000 0.00000 -1.85000 0.00000 -4.30000 0.00000 2.38000 76.00000 SHO1_2VKN-28_13.PDB 1.81849 -18.74000 -3.19000 -4.99000 -11.42000 -4.51000 13.51000 -12.45000 0.38000 7.70000 2.53000 0.00000 0.00000 0.00000 0.09000 1.01000 0.00000 -2.47000 0.00000 -3.92000 0.00000 2.38000 76.00000 SHO1_2VKN-28_14.PDB 2.15527 -15.39000 -2.10000 -5.58000 -9.45000 -4.64000 12.02000 -10.36000 0.33000 7.55000 2.90000 0.00000 0.00000 0.00000 0.06000 0.59000 0.00000 -2.14000 0.00000 -3.99000 0.00000 2.38000 76.00000 SHO1_2VKN-28_15.PDB 1.74122 -18.60000 -2.15000 -5.77000 -10.76000 -5.47000 13.53000 -11.35000 0.44000 7.52000 2.52000 0.00000 0.00000 0.00000 0.09000 0.97000 0.00000 -2.40000 0.00000 -4.81000 0.00000 2.38000 76.00000 SHO1_2VKN-28_16.PDB 1.97222 -18.28000 -2.19000 -5.61000 -10.31000 -4.69000 12.35000 -11.64000 0.82000 7.03000 1.70000 0.00000 0.00000 0.00000 0.08000 0.85000 0.00000 -1.69000 0.00000 -4.11000 0.00000 2.38000 76.00000 SHO1_2VKN-28_17.PDB 1.93433 -19.35000 -2.32000 -6.49000 -10.42000 -4.45000 11.68000 -11.80000 0.44000 8.46000 1.71000 0.00000 0.00000 0.00000 0.08000 0.87000 0.00000 -2.43000 0.00000 -3.81000 0.00000 2.38000 76.00000 SHO1_2VKN-28_18.PDB 2.29091 -17.10000 -2.32000 -5.89000 -9.42000 -4.48000 11.98000 -10.15000 1.12000 5.91000 1.78000 0.00000 0.00000 0.00000 0.09000 0.75000 0.00000 -1.81000 0.00000 -3.91000 0.00000 2.38000 76.00000 SHO1_2VKN-28_19.PDB 1.71028 -19.25000 -2.28000 -4.04000 -9.85000 -4.74000 11.22000 -11.21000 0.31000 6.17000 1.82000 0.00000 0.00000 0.00000 0.08000 0.69000 0.00000 -2.45000 0.00000 -4.27000 0.00000 2.38000 76.00000 SHO1_2VKN-28_20.PDB 1.58422 -18.48000 -3.19000 -4.07000 -10.64000 -4.22000 12.38000 -11.95000 0.30000 6.54000 2.36000 0.00000 0.00000 0.00000 0.09000 0.88000 0.00000 -2.39000 0.00000 -3.68000 0.00000 2.38000 76.00000 SHO1_2VKN-28_21.PDB 1.64763 -16.47000 -2.16000 -2.99000 -10.07000 -4.58000 11.52000 -11.63000 0.25000 6.95000 2.20000 0.00000 0.00000 0.00000 0.07000 0.79000 0.00000 -1.85000 0.00000 -4.16000 0.00000 2.38000 76.00000 SHO1_2VKN-28_22.PDB 2.35706 -17.78000 -2.06000 -7.33000 -9.78000 -4.21000 12.13000 -10.58000 0.56000 7.46000 2.13000 0.00000 0.00000 0.00000 0.08000 0.66000 0.00000 -2.44000 0.00000 -3.73000 0.00000 2.38000 76.00000 SHO1_2VKN-28_23.PDB 1.42524 -18.37000 -3.21000 -5.65000 -10.65000 -4.47000 12.73000 -12.00000 0.36000 8.34000 2.37000 0.00000 0.00000 0.00000 0.07000 0.83000 0.00000 -2.20000 0.00000 -4.05000 0.00000 2.38000 76.00000 SHO1_2VKN-28_24.PDB 1.74287 -19.51000 -2.30000 -5.66000 -10.66000 -4.83000 12.20000 -11.86000 0.41000 7.97000 1.69000 0.00000 0.00000 0.00000 0.08000 0.94000 0.00000 -2.17000 0.00000 -4.37000 0.00000 2.38000 76.00000 SHO1_2VKN-28_25.PDB 1.96055 -14.62000 -2.08000 -5.39000 -10.61000 -4.34000 13.48000 -11.31000 0.34000 8.02000 2.94000 0.00000 0.00000 0.00000 0.09000 0.91000 0.00000 -1.83000 0.00000 -3.93000 0.00000 2.38000 76.00000 SHO1_2VKN-28_26.PDB 1.57577 -17.05000 -2.20000 -3.84000 -10.04000 -4.51000 11.63000 -11.00000 0.35000 6.29000 2.14000 0.00000 0.00000 0.00000 0.08000 0.79000 0.00000 -1.91000 0.00000 -4.05000 0.00000 2.38000 76.00000 SHO1_2VKN-28_27.PDB 2.02610 -18.15000 -3.11000 -6.31000 -10.02000 -4.77000 13.12000 -10.57000 0.33000 8.01000 2.16000 0.00000 0.00000 0.00000 0.06000 0.69000 0.00000 -3.01000 0.00000 -4.04000 0.00000 2.38000 76.00000 SHO1_2VKN-28_28.PDB 1.50343 -19.72000 -2.35000 -6.10000 -10.24000 -4.44000 11.27000 -11.73000 0.37000 8.20000 2.14000 0.00000 0.00000 0.00000 0.08000 0.91000 0.00000 -2.99000 0.00000 -3.93000 0.00000 2.38000 76.00000 SHO1_2VKN-28_29.PDB 1.91809 -17.92000 -2.36000 -4.83000 -10.38000 -4.39000 12.71000 -11.14000 0.33000 6.41000 2.21000 0.00000 0.00000 0.00000 0.09000 0.94000 0.00000 -2.77000 0.00000 -3.81000 0.00000 2.38000 76.00000 SHO1_2VKN-28_30.PDB 1.79473 -18.02000 -2.40000 -3.14000 -10.22000 -5.30000 11.57000 -11.50000 0.29000 6.91000 2.22000 0.00000 0.00000 0.00000 0.08000 0.91000 0.00000 -1.99000 0.00000 -4.55000 0.00000 2.38000 76.00000