name total energy Backbone Hbon 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-12_1.PDB 0.56000 -47.82000 -24.22000 -72.75000 -3.12000 93.90000 -93.94000 5.54000 44.60000 99.40000 0.00000 0.00000 1.12000 3.22000 19.97000 0.00000 -2.76000 0.00000 -2.62000 0.00000 0.00000 74.00000 SHO1_2VKN-12_2.PDB 1.80000 -46.06000 -21.86000 -74.54000 -3.46000 93.82000 -95.77000 5.72000 44.72000 99.46000 0.00000 0.00000 1.12000 4.20000 20.05000 0.00000 -2.50000 0.00000 -3.05000 0.00000 0.00000 74.00000 SHO1_2VKN-12_3.PDB 1.58000 -46.09000 -21.88000 -72.04000 -2.92000 90.87000 -93.06000 5.72000 43.58000 98.83000 0.00000 0.00000 1.12000 3.09000 19.89000 0.00000 -2.74000 0.00000 -2.89000 0.00000 0.00000 74.00000 SHO1_2VKN-12_4.PDB 0.77000 -47.00000 -22.96000 -73.09000 -2.59000 92.90000 -94.76000 5.64000 43.06000 99.93000 0.00000 0.00000 1.12000 2.98000 20.15000 0.00000 -2.38000 0.00000 -2.09000 0.00000 0.00000 74.00000 SHO1_2VKN-12_5.PDB 1.60000 -47.90000 -23.54000 -73.19000 -2.78000 93.94000 -94.50000 5.61000 44.53000 99.78000 0.00000 0.00000 1.12000 2.97000 20.01000 0.00000 -2.38000 0.00000 -2.07000 0.00000 0.00000 74.00000 SHO1_2VKN-12_6.PDB 0.75000 -47.00000 -23.41000 -73.10000 -2.73000 93.09000 -94.57000 5.58000 43.45000 99.82000 0.00000 0.00000 1.12000 3.11000 20.05000 0.00000 -2.46000 0.00000 -2.16000 0.00000 0.00000 74.00000 SHO1_2VKN-12_7.PDB 1.60000 -46.08000 -22.42000 -72.06000 -3.09000 91.91000 -93.12000 5.54000 43.81000 98.79000 0.00000 0.00000 1.12000 3.33000 19.87000 0.00000 -2.99000 0.00000 -3.15000 0.00000 0.00000 74.00000 SHO1_2VKN-12_8.PDB 0.70000 -46.99000 -22.82000 -73.23000 -2.34000 92.81000 -95.07000 5.63000 43.07000 100.06000 0.00000 0.00000 1.12000 3.12000 20.17000 0.00000 -2.54000 0.00000 -2.12000 0.00000 0.00000 74.00000 SHO1_2VKN-12_9.PDB 1.42000 -47.04000 -23.09000 -73.34000 -2.48000 92.71000 -94.71000 5.64000 44.89000 99.22000 0.00000 0.00000 1.12000 3.06000 19.92000 0.00000 -2.70000 0.00000 -1.87000 0.00000 0.00000 74.00000 SHO1_2VKN-12_10.PDB 1.68000 -46.14000 -22.98000 -73.95000 -3.68000 94.29000 -95.03000 6.40000 44.89000 99.07000 0.00000 0.00000 1.12000 3.20000 20.11000 0.00000 -2.64000 0.00000 -2.88000 0.00000 0.00000 74.00000 SHO1_2VKN-12_11.PDB 0.72000 -46.87000 -24.25000 -74.47000 -2.84000 93.75000 -95.48000 5.72000 46.40000 99.25000 0.00000 0.00000 1.12000 3.33000 20.25000 0.00000 -2.50000 0.00000 -2.44000 0.00000 0.00000 74.00000 SHO1_2VKN-12_12.PDB 2.02000 -47.71000 -22.88000 -72.74000 -2.75000 92.80000 -93.97000 5.74000 44.10000 99.71000 0.00000 0.00000 1.12000 3.14000 20.02000 0.00000 -2.26000 0.00000 -2.28000 0.00000 0.00000 74.00000 SHO1_2VKN-12_13.PDB 1.93000 -47.64000 -23.58000 -72.98000 -2.81000 93.44000 -93.55000 6.57000 43.73000 99.24000 0.00000 0.00000 1.12000 3.73000 19.92000 0.00000 -3.02000 0.00000 -2.33000 0.00000 0.00000 74.00000 SHO1_2VKN-12_14.PDB 0.23000 -46.59000 -24.61000 -74.29000 -3.14000 93.78000 -95.30000 5.58000 46.03000 99.73000 0.00000 0.00000 1.12000 3.81000 20.04000 0.00000 -3.11000 0.00000 -2.79000 0.00000 0.00000 74.00000 SHO1_2VKN-12_15.PDB 2.23000 -46.07000 -22.83000 -73.92000 -3.11000 93.90000 -94.59000 5.93000 44.44000 99.00000 0.00000 0.00000 1.12000 3.60000 20.15000 0.00000 -2.68000 0.00000 -2.57000 0.00000 0.00000 74.00000 SHO1_2VKN-12_16.PDB 1.38000 -46.09000 -22.08000 -74.81000 -2.88000 93.74000 -96.36000 5.71000 44.45000 99.76000 0.00000 0.00000 1.12000 3.78000 20.15000 0.00000 -2.42000 0.00000 -2.53000 0.00000 0.00000 74.00000 SHO1_2VKN-12_17.PDB 0.89000 -46.96000 -23.65000 -73.68000 -3.53000 94.37000 -94.47000 5.57000 44.85000 99.14000 0.00000 0.00000 1.12000 3.20000 20.15000 0.00000 -2.76000 0.00000 -2.32000 0.00000 0.00000 74.00000 SHO1_2VKN-12_18.PDB 3.18000 -47.63000 -23.59000 -74.04000 -3.02000 95.06000 -94.83000 5.87000 45.88000 99.95000 0.00000 0.00000 1.12000 3.94000 20.21000 0.00000 -2.81000 0.00000 -2.72000 0.00000 0.00000 74.00000 SHO1_2VKN-12_19.PDB 2.89000 -45.30000 -21.25000 -73.63000 -3.10000 92.86000 -94.27000 6.78000 43.13000 98.87000 0.00000 0.00000 1.12000 3.46000 19.91000 0.00000 -2.98000 0.00000 -2.81000 0.00000 0.00000 74.00000 SHO1_2VKN-12_20.PDB -0.16000 -48.63000 -25.12000 -73.01000 -2.89000 93.94000 -94.21000 5.53000 45.26000 100.04000 0.00000 0.00000 1.12000 3.32000 20.17000 0.00000 -2.95000 0.00000 -2.58000 0.00000 0.00000 74.00000 SHO1_2VKN-12_21.PDB 1.78000 -45.89000 -23.30000 -74.44000 -3.11000 93.81000 -95.05000 6.36000 44.79000 99.36000 0.00000 0.00000 1.12000 3.85000 20.20000 0.00000 -2.89000 0.00000 -2.82000 0.00000 0.00000 74.00000 SHO1_2VKN-12_22.PDB 1.99000 -45.31000 -20.95000 -72.62000 -2.18000 90.85000 -94.25000 5.64000 42.32000 99.17000 0.00000 0.00000 1.12000 2.92000 19.93000 0.00000 -2.64000 0.00000 -2.08000 0.00000 0.00000 74.00000 SHO1_2VKN-12_23.PDB 0.19000 -48.37000 -25.98000 -74.20000 -2.12000 94.54000 -95.59000 5.64000 45.66000 100.70000 0.00000 0.00000 1.12000 3.02000 20.51000 0.00000 -2.74000 0.00000 -1.51000 0.00000 0.00000 74.00000 SHO1_2VKN-12_24.PDB 2.38000 -45.66000 -21.67000 -72.67000 -3.04000 91.90000 -93.58000 5.55000 43.38000 98.92000 0.00000 0.00000 1.12000 3.07000 19.84000 0.00000 -2.32000 0.00000 -2.63000 0.00000 0.00000 74.00000 SHO1_2VKN-12_25.PDB 2.60000 -46.08000 -22.02000 -72.89000 -2.33000 91.94000 -93.87000 5.62000 43.44000 99.33000 0.00000 0.00000 1.12000 3.04000 20.00000 0.00000 -2.64000 0.00000 -2.07000 0.00000 0.00000 74.00000 SHO1_2VKN-12_26.PDB 1.47000 -47.61000 -22.98000 -72.38000 -2.52000 91.33000 -93.36000 5.64000 44.72000 99.41000 0.00000 0.00000 1.12000 3.26000 19.96000 0.00000 -2.89000 0.00000 -2.26000 0.00000 0.00000 74.00000 SHO1_2VKN-12_27.PDB 2.42000 -46.21000 -22.84000 -73.54000 -3.27000 94.17000 -94.41000 5.87000 43.26000 100.08000 0.00000 0.00000 1.12000 2.95000 20.09000 0.00000 -2.26000 0.00000 -2.51000 0.00000 0.00000 74.00000 SHO1_2VKN-12_28.PDB 1.26000 -47.37000 -26.82000 -74.04000 -3.39000 95.05000 -94.75000 8.08000 45.73000 100.16000 0.00000 0.00000 1.12000 3.18000 20.32000 0.00000 -2.70000 0.00000 -3.00000 0.00000 0.00000 74.00000 SHO1_2VKN-12_29.PDB 3.07000 -45.87000 -21.33000 -74.52000 -3.93000 94.13000 -95.54000 6.54000 43.51000 99.90000 0.00000 0.00000 1.12000 3.76000 20.08000 0.00000 -2.53000 0.00000 -2.18000 0.00000 0.00000 74.00000 SHO1_2VKN-12_30.PDB 2.48000 -47.02000 -22.21000 -73.49000 -2.16000 93.20000 -95.20000 6.37000 43.15000 100.20000 0.00000 0.00000 1.12000 2.88000 20.11000 0.00000 -2.62000 0.00000 -1.74000 0.00000 0.00000 74.00000