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-10_1.PDB -0.89000 -49.78000 -25.87000 -75.93000 -5.19000 100.17000 -95.27000 6.42000 46.43000 100.34000 0.00000 0.00000 1.12000 2.91000 19.55000 0.00000 -3.02000 0.00000 -3.21000 0.00000 0.00000 74.00000 SHO1_2VKN-10_2.PDB -2.98000 -49.27000 -27.01000 -76.54000 -5.32000 100.50000 -95.74000 5.82000 46.76000 100.19000 0.00000 0.00000 1.12000 2.89000 19.79000 0.00000 -3.26000 0.00000 -3.12000 0.00000 0.00000 74.00000 SHO1_2VKN-10_3.PDB -2.15000 -50.60000 -26.87000 -75.90000 -4.10000 99.05000 -95.68000 6.82000 46.65000 100.66000 0.00000 0.00000 1.12000 3.16000 19.61000 0.00000 -3.82000 0.00000 -2.66000 0.00000 0.00000 74.00000 SHO1_2VKN-10_4.PDB -0.65000 -49.57000 -25.89000 -75.01000 -4.03000 97.71000 -94.94000 6.68000 45.52000 100.47000 0.00000 0.00000 1.12000 2.83000 19.50000 0.00000 -2.90000 0.00000 -2.65000 0.00000 0.00000 74.00000 SHO1_2VKN-10_5.PDB -2.40000 -49.61000 -25.91000 -75.53000 -4.15000 98.05000 -95.38000 6.89000 46.14000 99.81000 0.00000 0.00000 1.12000 2.72000 19.52000 0.00000 -4.02000 0.00000 -2.54000 0.00000 0.00000 74.00000 SHO1_2VKN-10_6.PDB -1.41000 -49.51000 -26.53000 -75.76000 -4.55000 99.27000 -95.31000 6.15000 46.69000 100.06000 0.00000 0.00000 1.12000 3.25000 19.58000 0.00000 -3.32000 0.00000 -2.95000 0.00000 0.00000 74.00000 SHO1_2VKN-10_7.PDB -1.13000 -49.50000 -25.75000 -75.75000 -4.97000 99.47000 -95.42000 7.09000 45.47000 100.59000 0.00000 0.00000 1.12000 3.02000 19.52000 0.00000 -3.51000 0.00000 -2.99000 0.00000 0.00000 74.00000 SHO1_2VKN-10_8.PDB -1.33000 -49.52000 -25.62000 -75.15000 -4.14000 97.99000 -95.15000 6.56000 45.25000 100.34000 0.00000 0.00000 1.12000 2.90000 19.51000 0.00000 -3.55000 0.00000 -2.37000 0.00000 0.00000 74.00000 SHO1_2VKN-10_9.PDB -1.19000 -50.13000 -26.95000 -75.77000 -5.01000 101.08000 -95.11000 6.95000 46.08000 99.27000 0.00000 0.00000 1.12000 3.51000 19.56000 0.00000 -3.00000 0.00000 -3.22000 0.00000 0.00000 74.00000 SHO1_2VKN-10_10.PDB -2.75000 -49.60000 -26.18000 -75.71000 -4.41000 98.61000 -95.42000 5.91000 46.44000 99.73000 0.00000 0.00000 1.12000 3.20000 19.58000 0.00000 -3.55000 0.00000 -2.89000 0.00000 0.00000 74.00000 SHO1_2VKN-10_11.PDB -2.92000 -49.61000 -26.72000 -75.92000 -5.00000 99.67000 -95.58000 6.43000 46.03000 100.48000 0.00000 0.00000 1.12000 2.93000 19.45000 0.00000 -3.74000 0.00000 -3.02000 0.00000 0.00000 74.00000 SHO1_2VKN-10_12.PDB -1.33000 -48.69000 -28.09000 -75.94000 -4.49000 98.99000 -95.45000 7.27000 46.50000 100.21000 0.00000 0.00000 1.12000 3.15000 19.60000 0.00000 -2.93000 0.00000 -2.99000 0.00000 0.00000 74.00000 SHO1_2VKN-10_13.PDB -2.09000 -49.37000 -26.34000 -75.29000 -4.24000 98.40000 -95.19000 6.29000 45.27000 99.87000 0.00000 0.00000 1.12000 2.85000 19.43000 0.00000 -2.99000 0.00000 -2.46000 0.00000 0.00000 74.00000 SHO1_2VKN-10_14.PDB -1.54000 -49.80000 -26.82000 -76.10000 -4.31000 99.45000 -95.94000 6.07000 46.66000 100.87000 0.00000 0.00000 1.12000 3.15000 19.58000 0.00000 -3.32000 0.00000 -2.56000 0.00000 0.00000 74.00000 SHO1_2VKN-10_15.PDB -1.64000 -49.49000 -26.10000 -75.92000 -4.51000 98.91000 -95.61000 6.09000 46.38000 100.44000 0.00000 0.00000 1.12000 3.16000 19.51000 0.00000 -3.25000 0.00000 -2.85000 0.00000 0.00000 74.00000 SHO1_2VKN-10_16.PDB -2.31000 -49.74000 -26.45000 -75.89000 -4.97000 99.37000 -95.29000 6.03000 46.78000 99.57000 0.00000 0.00000 1.12000 3.12000 19.58000 0.00000 -3.00000 0.00000 -2.97000 0.00000 0.00000 74.00000 SHO1_2VKN-10_17.PDB -1.72000 -49.61000 -26.74000 -76.35000 -4.72000 101.43000 -95.80000 6.79000 45.86000 99.09000 0.00000 0.00000 1.12000 2.93000 19.68000 0.00000 -2.92000 0.00000 -2.79000 0.00000 0.00000 74.00000 SHO1_2VKN-10_18.PDB -2.07000 -49.60000 -26.09000 -76.01000 -5.35000 99.78000 -95.54000 6.83000 46.19000 100.28000 0.00000 0.00000 1.12000 2.75000 19.53000 0.00000 -3.32000 0.00000 -3.11000 0.00000 0.00000 74.00000 SHO1_2VKN-10_19.PDB -2.14000 -49.62000 -26.05000 -75.19000 -4.67000 98.78000 -94.80000 6.63000 45.15000 100.04000 0.00000 0.00000 1.12000 3.08000 19.50000 0.00000 -3.53000 0.00000 -3.07000 0.00000 0.00000 74.00000 SHO1_2VKN-10_20.PDB -1.88000 -49.63000 -26.61000 -75.15000 -4.24000 98.37000 -95.01000 6.64000 45.33000 100.33000 0.00000 0.00000 1.12000 2.76000 19.46000 0.00000 -3.41000 0.00000 -2.40000 0.00000 0.00000 74.00000 SHO1_2VKN-10_21.PDB -1.15000 -48.96000 -26.47000 -75.37000 -4.59000 98.95000 -94.89000 6.48000 45.26000 99.87000 0.00000 0.00000 1.12000 3.07000 19.59000 0.00000 -3.03000 0.00000 -2.61000 0.00000 0.00000 74.00000 SHO1_2VKN-10_22.PDB -2.59000 -49.53000 -26.70000 -75.25000 -4.87000 98.88000 -94.84000 6.10000 45.74000 100.03000 0.00000 0.00000 1.12000 3.02000 19.50000 0.00000 -3.22000 0.00000 -3.08000 0.00000 0.00000 74.00000 SHO1_2VKN-10_23.PDB -2.50000 -49.55000 -26.49000 -75.40000 -4.72000 98.90000 -95.12000 6.88000 45.67000 99.43000 0.00000 0.00000 1.12000 3.09000 19.48000 0.00000 -3.30000 0.00000 -3.00000 0.00000 0.00000 74.00000 SHO1_2VKN-10_24.PDB -0.96000 -49.81000 -27.23000 -75.78000 -3.90000 99.98000 -95.41000 6.33000 45.99000 100.10000 0.00000 0.00000 1.12000 3.19000 19.67000 0.00000 -3.39000 0.00000 -2.16000 0.00000 0.00000 74.00000 SHO1_2VKN-10_25.PDB -2.34000 -48.99000 -26.81000 -75.46000 -3.62000 98.47000 -95.45000 6.24000 44.87000 99.88000 0.00000 0.00000 1.12000 2.70000 19.60000 0.00000 -3.20000 0.00000 -2.10000 0.00000 0.00000 74.00000 SHO1_2VKN-10_26.PDB -3.18000 -49.67000 -26.90000 -75.24000 -4.56000 98.32000 -94.87000 6.84000 45.63000 99.43000 0.00000 0.00000 1.12000 3.01000 19.56000 0.00000 -3.44000 0.00000 -2.85000 0.00000 0.00000 74.00000 SHO1_2VKN-10_27.PDB -2.21000 -49.60000 -25.90000 -75.90000 -4.50000 99.40000 -95.89000 6.50000 45.28000 100.59000 0.00000 0.00000 1.12000 2.72000 19.47000 0.00000 -3.47000 0.00000 -2.57000 0.00000 0.00000 74.00000 SHO1_2VKN-10_28.PDB -1.00000 -49.21000 -27.09000 -75.51000 -4.40000 98.43000 -95.18000 7.28000 46.29000 100.04000 0.00000 0.00000 1.12000 3.18000 19.56000 0.00000 -3.40000 0.00000 -2.53000 0.00000 0.00000 74.00000 SHO1_2VKN-10_29.PDB -2.70000 -49.57000 -28.38000 -76.07000 -5.13000 100.96000 -95.28000 6.43000 46.75000 99.98000 0.00000 0.00000 1.12000 3.01000 19.62000 0.00000 -3.45000 0.00000 -3.06000 0.00000 0.00000 74.00000 SHO1_2VKN-10_30.PDB -2.34000 -49.61000 -26.45000 -75.74000 -4.54000 99.17000 -95.60000 6.77000 45.55000 100.14000 0.00000 0.00000 1.12000 3.25000 19.65000 0.00000 -3.53000 0.00000 -2.87000 0.00000 0.00000 74.00000