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-7_1.PDB 2.15492 -11.56000 -0.69000 -2.59000 -7.20000 -4.62000 8.15000 -8.36000 1.26000 5.82000 1.51000 0.00000 0.00000 0.00000 0.09000 0.14000 0.00000 -1.20000 0.00000 -3.72000 0.00000 2.38000 74.00000 SHO1_2VKN-7_2.PDB 1.87605 -10.12000 -0.62000 -2.28000 -7.13000 -3.94000 7.55000 -8.73000 1.99000 5.48000 1.52000 0.00000 0.00000 0.00000 0.04000 0.12000 0.00000 -0.79000 0.00000 -3.22000 0.00000 2.38000 74.00000 SHO1_2VKN-7_3.PDB 2.38905 -9.35000 -0.65000 -1.66000 -6.52000 -3.57000 6.42000 -8.20000 1.99000 5.14000 1.77000 0.00000 0.00000 0.00000 0.04000 0.07000 0.00000 -0.73000 0.00000 -3.37000 0.00000 2.38000 74.00000 SHO1_2VKN-7_4.PDB 2.19955 -12.23000 -0.64000 -1.82000 -7.39000 -4.77000 8.08000 -8.62000 1.10000 5.44000 1.46000 0.00000 0.00000 0.00000 0.09000 0.11000 0.00000 -1.30000 0.00000 -3.86000 0.00000 2.38000 74.00000 SHO1_2VKN-7_5.PDB 1.94328 -12.34000 -0.59000 -2.55000 -7.55000 -4.90000 8.35000 -8.79000 1.03000 5.81000 1.25000 0.00000 0.00000 0.00000 0.08000 0.13000 0.00000 -0.70000 0.00000 -3.80000 0.00000 2.38000 74.00000 SHO1_2VKN-7_6.PDB 2.54242 -12.12000 -0.67000 -2.52000 -7.55000 -5.21000 8.38000 -8.89000 2.13000 6.03000 1.61000 0.00000 0.00000 0.00000 0.12000 0.11000 0.00000 -1.49000 0.00000 -4.06000 0.00000 2.38000 74.00000 SHO1_2VKN-7_7.PDB 2.09048 -11.22000 -0.65000 -2.01000 -6.74000 -3.44000 7.20000 -8.27000 0.11000 4.69000 1.28000 0.00000 0.00000 0.00000 0.06000 0.08000 0.00000 -0.55000 0.00000 -2.91000 0.00000 2.38000 74.00000 SHO1_2VKN-7_8.PDB 2.17103 -11.01000 -0.66000 -1.99000 -6.34000 -3.28000 6.52000 -8.07000 0.45000 4.31000 1.56000 0.00000 0.00000 0.00000 0.05000 0.09000 0.00000 -0.42000 0.00000 -3.16000 0.00000 2.38000 74.00000 SHO1_2VKN-7_9.PDB 2.17864 -10.37000 -0.71000 -1.48000 -6.03000 -2.41000 5.45000 -7.79000 0.13000 3.89000 1.71000 0.00000 0.00000 0.00000 0.05000 0.07000 0.00000 -0.82000 0.00000 -2.37000 0.00000 2.38000 74.00000 SHO1_2VKN-7_10.PDB 1.84806 -11.67000 -0.64000 -2.03000 -7.41000 -4.36000 7.79000 -9.00000 1.29000 5.60000 1.42000 0.00000 0.00000 0.00000 0.04000 0.11000 0.00000 -0.86000 0.00000 -3.53000 0.00000 2.38000 74.00000 SHO1_2VKN-7_11.PDB 2.56873 -11.16000 -0.69000 -3.59000 -7.29000 -4.73000 9.49000 -7.81000 0.97000 6.51000 1.50000 0.00000 0.00000 0.00000 0.10000 0.15000 0.00000 -1.86000 0.00000 -3.75000 0.00000 2.38000 74.00000 SHO1_2VKN-7_12.PDB 2.94806 -13.23000 -0.66000 -4.94000 -7.48000 -5.41000 9.89000 -8.04000 1.01000 7.03000 1.66000 0.00000 0.00000 0.00000 0.09000 0.11000 0.00000 -2.20000 0.00000 -4.17000 0.00000 2.38000 74.00000 SHO1_2VKN-7_13.PDB 1.90289 -11.36000 -0.70000 -2.02000 -6.99000 -4.30000 7.47000 -8.48000 1.15000 5.47000 1.36000 0.00000 0.00000 0.00000 0.05000 0.11000 0.00000 -0.90000 0.00000 -3.47000 0.00000 2.38000 74.00000 SHO1_2VKN-7_14.PDB 2.70214 -11.08000 -0.69000 -3.68000 -7.17000 -3.90000 8.59000 -8.22000 0.15000 6.88000 1.54000 0.00000 0.00000 0.00000 0.08000 0.11000 0.00000 -1.35000 0.00000 -3.31000 0.00000 2.38000 74.00000 SHO1_2VKN-7_15.PDB 2.26591 -10.14000 -0.63000 -1.88000 -7.52000 -3.64000 8.13000 -9.21000 1.43000 5.21000 1.34000 0.00000 0.00000 0.00000 0.05000 0.11000 0.00000 -0.71000 0.00000 -2.71000 0.00000 2.38000 74.00000 SHO1_2VKN-7_16.PDB 3.17324 -11.49000 -0.71000 -2.32000 -6.97000 -4.10000 7.64000 -8.44000 0.90000 5.46000 1.60000 0.00000 0.00000 0.00000 0.04000 0.11000 0.00000 -1.06000 0.00000 -3.55000 0.00000 2.38000 74.00000 SHO1_2VKN-7_17.PDB 2.01736 -11.05000 -0.62000 -2.04000 -6.31000 -2.99000 6.43000 -7.96000 0.17000 4.25000 1.69000 0.00000 0.00000 0.00000 0.06000 0.09000 0.00000 -0.87000 0.00000 -2.86000 0.00000 2.38000 74.00000 SHO1_2VKN-7_18.PDB 2.45067 -9.34000 -0.58000 -2.96000 -6.17000 -3.49000 6.84000 -7.44000 0.43000 6.49000 1.77000 0.00000 0.00000 0.00000 0.06000 0.03000 0.00000 -0.85000 0.00000 -3.43000 0.00000 2.38000 74.00000 SHO1_2VKN-7_19.PDB 1.43011 -9.86000 -0.64000 -3.87000 -6.17000 -3.99000 7.95000 -6.86000 0.07000 6.66000 1.00000 0.00000 0.00000 0.00000 0.03000 0.06000 0.00000 -0.86000 0.00000 -3.19000 0.00000 2.38000 74.00000 SHO1_2VKN-7_20.PDB 2.38208 -11.96000 -0.68000 -4.46000 -7.18000 -5.24000 9.73000 -7.66000 1.08000 6.67000 1.49000 0.00000 0.00000 0.00000 0.06000 0.09000 0.00000 -1.61000 0.00000 -4.15000 0.00000 2.38000 74.00000 SHO1_2VKN-7_21.PDB 2.00779 -10.58000 -0.69000 -3.19000 -6.11000 -4.19000 8.17000 -6.74000 0.10000 5.53000 1.69000 0.00000 0.00000 0.00000 0.08000 0.09000 0.00000 -1.40000 0.00000 -3.84000 0.00000 2.38000 74.00000 SHO1_2VKN-7_22.PDB 1.87663 -11.71000 -0.53000 -1.63000 -7.63000 -4.32000 8.14000 -9.13000 1.62000 5.53000 1.32000 0.00000 0.00000 0.00000 0.04000 0.14000 0.00000 -1.64000 0.00000 -3.48000 0.00000 2.38000 74.00000 SHO1_2VKN-7_23.PDB 1.95771 -13.17000 -0.64000 -2.60000 -7.69000 -4.97000 8.41000 -9.00000 1.16000 5.94000 1.38000 0.00000 0.00000 0.00000 0.11000 0.14000 0.00000 -1.39000 0.00000 -3.88000 0.00000 2.38000 74.00000 SHO1_2VKN-7_24.PDB 2.35978 -10.40000 -0.71000 -1.55000 -6.96000 -3.70000 7.31000 -8.45000 0.90000 5.11000 1.49000 0.00000 0.00000 0.00000 0.09000 0.10000 0.00000 -0.97000 0.00000 -2.97000 0.00000 2.38000 74.00000 SHO1_2VKN-7_25.PDB 3.07663 -11.08000 -1.54000 -5.77000 -8.12000 -4.54000 11.47000 -8.73000 1.49000 7.05000 2.04000 0.00000 0.00000 0.00000 0.16000 0.40000 0.00000 -1.30000 0.00000 -3.27000 0.00000 2.38000 74.00000 SHO1_2VKN-7_26.PDB 2.21227 -10.18000 -0.59000 -0.87000 -7.86000 -4.25000 8.20000 -9.36000 2.01000 5.41000 1.38000 0.00000 0.00000 0.00000 0.10000 0.13000 0.00000 -1.06000 0.00000 -3.29000 0.00000 2.38000 74.00000 SHO1_2VKN-7_27.PDB 2.32037 -12.55000 -0.58000 -4.96000 -8.01000 -5.65000 10.39000 -8.68000 1.14000 7.88000 1.76000 0.00000 0.00000 0.00000 0.12000 0.13000 0.00000 -1.61000 0.00000 -4.34000 0.00000 2.38000 74.00000 SHO1_2VKN-7_28.PDB 2.32613 -10.43000 -0.63000 -3.04000 -6.85000 -4.24000 8.80000 -7.76000 1.15000 5.21000 1.41000 0.00000 0.00000 0.00000 0.07000 0.12000 0.00000 -0.89000 0.00000 -3.66000 0.00000 2.38000 74.00000 SHO1_2VKN-7_29.PDB 2.46891 -9.76000 -0.64000 -4.47000 -7.05000 -4.62000 9.33000 -7.77000 1.39000 7.09000 1.35000 0.00000 0.00000 0.00000 0.08000 0.12000 0.00000 -0.84000 0.00000 -3.60000 0.00000 2.38000 74.00000 SHO1_2VKN-7_30.PDB 1.95983 -10.54000 -0.63000 -2.05000 -6.57000 -3.13000 6.46000 -8.41000 1.09000 4.42000 1.47000 0.00000 0.00000 0.00000 0.07000 0.10000 0.00000 -0.28000 0.00000 -2.97000 0.00000 2.38000 74.00000