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-6_1.PDB 2.31498 -12.34000 -2.46000 -3.73000 -7.60000 -3.41000 8.07000 -8.69000 0.93000 6.57000 2.35000 0.00000 0.00000 0.00000 0.02000 0.56000 0.00000 -0.90000 0.00000 -3.49000 0.00000 2.38000 76.00000 SHO1_2VKN-6_2.PDB 1.73390 -12.93000 -2.49000 -4.28000 -8.16000 -3.97000 9.24000 -9.13000 1.01000 7.69000 2.09000 0.00000 0.00000 0.00000 0.02000 0.56000 0.00000 -1.01000 0.00000 -3.94000 0.00000 2.38000 76.00000 SHO1_2VKN-6_3.PDB 2.11335 -11.47000 -2.51000 -3.18000 -7.41000 -2.56000 7.89000 -8.50000 0.97000 4.91000 2.30000 0.00000 0.00000 0.00000 0.02000 0.60000 0.00000 -0.99000 0.00000 -2.43000 0.00000 2.38000 76.00000 SHO1_2VKN-6_4.PDB 1.96081 -13.98000 -1.26000 -2.16000 -8.04000 -4.32000 9.03000 -9.37000 1.02000 5.06000 1.32000 0.00000 0.00000 0.00000 0.08000 0.49000 0.00000 -1.39000 0.00000 -3.95000 0.00000 2.38000 76.00000 SHO1_2VKN-6_5.PDB 1.77885 -15.74000 -3.15000 -8.04000 -8.57000 -4.55000 10.85000 -9.47000 1.03000 10.21000 2.07000 0.00000 0.00000 0.00000 0.03000 0.65000 0.00000 -1.80000 0.00000 -4.37000 0.00000 2.38000 76.00000 SHO1_2VKN-6_6.PDB 3.31417 -10.18000 -3.01000 -7.08000 -8.49000 -3.56000 11.63000 -8.47000 1.99000 8.49000 2.77000 0.00000 0.00000 0.00000 0.54000 0.53000 0.00000 -1.37000 0.00000 -3.62000 0.00000 2.38000 76.00000 SHO1_2VKN-6_7.PDB 2.51199 -13.66000 -2.30000 -3.07000 -7.29000 -3.39000 8.06000 -8.21000 0.87000 4.48000 1.90000 0.00000 0.00000 0.00000 0.05000 0.40000 0.00000 -1.49000 0.00000 -3.26000 0.00000 2.38000 76.00000 SHO1_2VKN-6_8.PDB 2.37834 -12.79000 -3.39000 -4.92000 -8.28000 -3.48000 9.75000 -9.00000 0.98000 7.96000 2.15000 0.00000 0.00000 0.00000 0.02000 0.56000 0.00000 -1.53000 0.00000 -3.06000 0.00000 2.38000 76.00000 SHO1_2VKN-6_9.PDB 1.56096 -11.81000 -2.37000 -3.06000 -7.64000 -3.02000 7.98000 -8.91000 1.59000 5.58000 2.25000 0.00000 0.00000 0.00000 0.02000 0.56000 0.00000 -1.28000 0.00000 -2.95000 0.00000 2.38000 76.00000 SHO1_2VKN-6_10.PDB 1.95724 -10.02000 -1.57000 -1.46000 -6.58000 -1.92000 5.87000 -8.28000 0.97000 3.64000 1.83000 0.00000 0.00000 0.00000 0.02000 0.45000 0.00000 -0.49000 0.00000 -2.05000 0.00000 2.38000 76.00000 SHO1_2VKN-6_11.PDB 2.30805 -15.25000 -2.33000 -5.87000 -8.21000 -4.40000 9.46000 -9.44000 0.95000 8.22000 1.82000 0.00000 0.00000 0.00000 0.10000 0.42000 0.00000 -1.35000 0.00000 -4.19000 0.00000 2.38000 76.00000 SHO1_2VKN-6_12.PDB 1.98627 -13.04000 -2.47000 -4.07000 -8.19000 -4.23000 9.34000 -9.11000 0.97000 7.07000 1.91000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.70000 0.00000 -3.59000 0.00000 2.38000 76.00000 SHO1_2VKN-6_13.PDB 2.73879 -10.64000 -1.64000 -5.54000 -8.50000 -4.39000 11.08000 -8.55000 1.15000 8.76000 2.17000 0.00000 0.00000 0.00000 0.38000 0.56000 0.00000 -1.48000 0.00000 -4.08000 0.00000 2.38000 76.00000 SHO1_2VKN-6_14.PDB 3.39548 -10.91000 -3.23000 -5.65000 -7.98000 -3.08000 10.03000 -7.99000 1.18000 6.76000 2.76000 0.00000 0.00000 0.00000 0.38000 0.65000 0.00000 -1.32000 0.00000 -2.77000 0.00000 2.38000 76.00000 SHO1_2VKN-6_15.PDB 1.91078 -13.51000 -1.63000 -4.74000 -8.29000 -4.93000 9.94000 -9.35000 1.08000 7.46000 1.72000 0.00000 0.00000 0.00000 0.12000 0.45000 0.00000 -0.59000 0.00000 -4.29000 0.00000 2.38000 76.00000 SHO1_2VKN-6_16.PDB 1.74561 -13.00000 -2.31000 -3.85000 -8.03000 -4.06000 9.64000 -8.77000 0.95000 6.94000 1.56000 0.00000 0.00000 0.00000 0.03000 0.33000 0.00000 -1.29000 0.00000 -3.81000 0.00000 2.38000 76.00000 SHO1_2VKN-6_17.PDB 1.62812 -13.07000 -2.45000 -5.39000 -7.91000 -3.34000 8.50000 -9.20000 0.98000 8.06000 2.00000 0.00000 0.00000 0.00000 0.02000 0.50000 0.00000 -0.78000 0.00000 -3.54000 0.00000 2.38000 76.00000 SHO1_2VKN-6_18.PDB 2.75655 -11.66000 -1.58000 -5.15000 -7.52000 -3.76000 8.95000 -7.97000 1.09000 6.77000 2.44000 0.00000 0.00000 0.00000 0.42000 0.51000 0.00000 -1.35000 0.00000 -4.00000 0.00000 2.38000 76.00000 SHO1_2VKN-6_19.PDB 2.16419 -14.04000 -2.37000 -4.84000 -7.28000 -3.08000 7.75000 -8.64000 0.98000 5.75000 2.06000 0.00000 0.00000 0.00000 0.04000 0.44000 0.00000 -1.33000 0.00000 -3.09000 0.00000 2.38000 76.00000 SHO1_2VKN-6_20.PDB 1.70969 -13.31000 -2.55000 -3.74000 -7.83000 -4.16000 9.10000 -8.60000 0.88000 6.40000 2.57000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -1.32000 0.00000 -4.09000 0.00000 2.38000 76.00000 SHO1_2VKN-6_21.PDB 2.51412 -11.32000 -0.78000 -4.55000 -7.06000 -3.85000 8.38000 -7.78000 1.09000 5.98000 2.12000 0.00000 0.00000 0.00000 0.32000 0.53000 0.00000 -1.30000 0.00000 -3.89000 0.00000 2.38000 76.00000 SHO1_2VKN-6_22.PDB 3.47557 -11.12000 -2.34000 -5.47000 -7.92000 -3.32000 9.99000 -7.96000 1.16000 6.27000 2.52000 0.00000 0.00000 0.00000 0.37000 0.57000 0.00000 -1.20000 0.00000 -3.22000 0.00000 2.38000 76.00000 SHO1_2VKN-6_23.PDB 1.52632 -13.40000 -2.42000 -3.98000 -7.98000 -3.69000 9.44000 -8.85000 0.87000 6.96000 1.46000 0.00000 0.00000 0.00000 0.03000 0.38000 0.00000 -1.97000 0.00000 -3.26000 0.00000 2.38000 76.00000 SHO1_2VKN-6_24.PDB 1.88443 -14.36000 -1.54000 -3.78000 -7.57000 -4.45000 8.52000 -8.67000 0.84000 6.72000 1.60000 0.00000 0.00000 0.00000 0.07000 0.34000 0.00000 -1.81000 0.00000 -4.29000 0.00000 2.38000 76.00000 SHO1_2VKN-6_25.PDB 2.62825 -10.61000 -2.36000 -6.02000 -8.36000 -4.34000 11.77000 -7.97000 1.14000 7.83000 1.99000 0.00000 0.00000 0.00000 0.36000 0.50000 0.00000 -1.19000 0.00000 -3.46000 0.00000 2.38000 76.00000 SHO1_2VKN-6_26.PDB 1.90997 -12.34000 -1.56000 -2.97000 -8.16000 -4.10000 9.34000 -9.33000 0.94000 5.76000 1.59000 0.00000 0.00000 0.00000 0.03000 0.48000 0.00000 -0.44000 0.00000 -3.44000 0.00000 2.38000 76.00000 SHO1_2VKN-6_27.PDB 1.76901 -14.15000 -3.39000 -4.86000 -8.71000 -4.90000 10.83000 -9.44000 1.09000 8.05000 2.17000 0.00000 0.00000 0.00000 0.04000 0.51000 0.00000 -0.74000 0.00000 -4.29000 0.00000 2.38000 76.00000 SHO1_2VKN-6_28.PDB 1.91141 -13.33000 -2.43000 -3.90000 -7.79000 -4.04000 8.91000 -8.72000 1.08000 6.46000 2.31000 0.00000 0.00000 0.00000 0.03000 0.51000 0.00000 -1.28000 0.00000 -3.97000 0.00000 2.38000 76.00000 SHO1_2VKN-6_29.PDB 2.14747 -12.38000 -2.41000 -3.10000 -7.46000 -2.77000 7.39000 -8.87000 1.71000 4.98000 2.28000 0.00000 0.00000 0.00000 0.04000 0.50000 0.00000 -1.58000 0.00000 -2.58000 0.00000 2.38000 76.00000 SHO1_2VKN-6_30.PDB 2.70116 -10.47000 -2.46000 -6.29000 -8.48000 -3.60000 11.33000 -8.30000 1.17000 8.55000 2.08000 0.00000 0.00000 0.00000 0.38000 0.56000 0.00000 -1.64000 0.00000 -3.22000 0.00000 2.38000 76.00000