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-13_1.PDB -5.65000 -50.27000 -26.08000 -78.12000 -4.53000 100.16000 -98.09000 6.90000 47.68000 98.49000 0.00000 0.00000 1.12000 2.69000 18.96000 0.00000 -2.74000 0.00000 -2.88000 0.00000 0.00000 74.00000 SHO1_2VKN-13_2.PDB -5.50000 -49.46000 -26.74000 -77.25000 -5.18000 99.57000 -97.01000 7.12000 47.30000 98.24000 0.00000 0.00000 1.12000 2.75000 18.95000 0.00000 -2.74000 0.00000 -3.22000 0.00000 0.00000 74.00000 SHO1_2VKN-13_3.PDB -3.16000 -50.15000 -25.32000 -77.11000 -4.33000 99.42000 -96.66000 5.64000 47.28000 99.74000 0.00000 0.00000 1.12000 3.09000 18.99000 0.00000 -3.21000 0.00000 -2.68000 0.00000 0.00000 74.00000 SHO1_2VKN-13_4.PDB -4.04000 -49.26000 -25.09000 -77.16000 -4.22000 99.11000 -97.26000 6.10000 46.56000 99.57000 0.00000 0.00000 1.12000 2.51000 18.85000 0.00000 -3.33000 0.00000 -2.69000 0.00000 0.00000 74.00000 SHO1_2VKN-13_5.PDB -6.42000 -50.09000 -26.82000 -77.52000 -5.63000 100.64000 -96.97000 5.69000 48.33000 98.50000 0.00000 0.00000 1.12000 2.72000 18.84000 0.00000 -3.01000 0.00000 -3.38000 0.00000 0.00000 74.00000 SHO1_2VKN-13_6.PDB -4.84000 -50.13000 -25.18000 -78.45000 -5.15000 101.37000 -98.24000 5.70000 47.71000 100.01000 0.00000 0.00000 1.12000 3.08000 18.90000 0.00000 -3.58000 0.00000 -3.11000 0.00000 0.00000 74.00000 SHO1_2VKN-13_7.PDB -5.01000 -51.22000 -27.23000 -77.36000 -5.45000 100.86000 -96.37000 5.95000 48.83000 99.95000 0.00000 0.00000 1.12000 3.04000 18.99000 0.00000 -3.69000 0.00000 -3.44000 0.00000 0.00000 74.00000 SHO1_2VKN-13_8.PDB -6.41000 -48.99000 -24.96000 -77.50000 -5.70000 99.69000 -97.14000 5.67000 47.17000 97.29000 0.00000 0.00000 1.12000 3.24000 18.80000 0.00000 -3.33000 0.00000 -2.96000 0.00000 0.00000 74.00000 SHO1_2VKN-13_9.PDB -4.85000 -50.73000 -25.97000 -77.57000 -5.48000 101.37000 -97.19000 5.81000 47.66000 100.21000 0.00000 0.00000 1.12000 2.62000 18.87000 0.00000 -3.06000 0.00000 -3.62000 0.00000 0.00000 74.00000 SHO1_2VKN-13_10.PDB -5.02000 -50.15000 -25.84000 -77.79000 -4.91000 100.37000 -97.61000 5.81000 47.82000 99.86000 0.00000 0.00000 1.12000 3.01000 18.85000 0.00000 -3.55000 0.00000 -3.16000 0.00000 0.00000 74.00000 SHO1_2VKN-13_11.PDB -2.06000 -49.83000 -25.67000 -76.94000 -3.71000 99.15000 -96.60000 5.82000 47.49000 99.95000 0.00000 0.00000 1.12000 2.89000 18.91000 0.00000 -3.21000 0.00000 -2.52000 0.00000 0.00000 74.00000 SHO1_2VKN-13_12.PDB -4.59000 -49.21000 -28.20000 -77.67000 -5.33000 101.05000 -96.71000 6.01000 48.09000 100.22000 0.00000 0.00000 1.12000 2.83000 18.85000 0.00000 -3.28000 0.00000 -3.53000 0.00000 0.00000 74.00000 SHO1_2VKN-13_13.PDB -4.04000 -51.33000 -26.97000 -77.80000 -5.25000 101.39000 -96.92000 5.95000 49.32000 100.30000 0.00000 0.00000 1.12000 2.95000 19.04000 0.00000 -3.49000 0.00000 -3.32000 0.00000 0.00000 74.00000 SHO1_2VKN-13_14.PDB -6.10000 -49.66000 -25.53000 -77.27000 -4.53000 98.82000 -97.23000 5.70000 47.48000 97.53000 0.00000 0.00000 1.12000 2.82000 18.82000 0.00000 -2.82000 0.00000 -2.54000 0.00000 0.00000 74.00000 SHO1_2VKN-13_15.PDB -3.84000 -50.13000 -26.32000 -77.50000 -4.85000 100.42000 -97.17000 6.22000 47.49000 99.94000 0.00000 0.00000 1.12000 3.28000 18.90000 0.00000 -3.15000 0.00000 -3.20000 0.00000 0.00000 74.00000 SHO1_2VKN-13_16.PDB -4.62000 -50.26000 -26.32000 -77.87000 -5.52000 100.80000 -97.50000 7.10000 47.43000 99.79000 0.00000 0.00000 1.12000 3.12000 18.93000 0.00000 -3.09000 0.00000 -3.41000 0.00000 0.00000 74.00000 SHO1_2VKN-13_17.PDB -4.30000 -51.00000 -27.08000 -78.57000 -4.86000 101.84000 -97.88000 6.70000 48.52000 99.41000 0.00000 0.00000 1.12000 3.08000 19.15000 0.00000 -2.98000 0.00000 -2.60000 0.00000 0.00000 74.00000 SHO1_2VKN-13_18.PDB -1.41000 -50.59000 -26.46000 -77.91000 -4.53000 101.70000 -97.18000 5.77000 49.17000 100.71000 0.00000 0.00000 1.12000 3.05000 18.90000 0.00000 -3.27000 0.00000 -3.00000 0.00000 0.00000 74.00000 SHO1_2VKN-13_19.PDB -6.27000 -50.09000 -29.22000 -78.69000 -6.19000 102.82000 -97.36000 5.87000 49.68000 101.20000 0.00000 0.00000 1.12000 2.90000 19.08000 0.00000 -4.14000 0.00000 -4.17000 0.00000 0.00000 74.00000 SHO1_2VKN-13_20.PDB -4.44000 -48.54000 -24.52000 -77.66000 -3.95000 98.99000 -98.02000 5.77000 46.06000 98.90000 0.00000 0.00000 1.12000 2.63000 18.81000 0.00000 -2.91000 0.00000 -2.32000 0.00000 0.00000 74.00000 SHO1_2VKN-13_21.PDB -4.88000 -49.28000 -24.70000 -77.80000 -4.64000 99.47000 -97.88000 5.86000 47.45000 98.92000 0.00000 0.00000 1.12000 2.75000 18.94000 0.00000 -3.54000 0.00000 -2.61000 0.00000 0.00000 74.00000 SHO1_2VKN-13_22.PDB -5.66000 -49.27000 -24.50000 -77.12000 -4.44000 98.76000 -97.00000 5.79000 47.00000 97.46000 0.00000 0.00000 1.12000 2.53000 18.84000 0.00000 -3.23000 0.00000 -2.78000 0.00000 0.00000 74.00000 SHO1_2VKN-13_23.PDB -5.96000 -48.28000 -24.84000 -77.53000 -4.83000 98.92000 -97.68000 5.82000 46.72000 98.27000 0.00000 0.00000 1.12000 2.62000 18.85000 0.00000 -3.37000 0.00000 -2.92000 0.00000 0.00000 74.00000 SHO1_2VKN-13_24.PDB -4.33000 -49.63000 -25.80000 -77.80000 -5.20000 100.08000 -97.13000 5.59000 48.41000 99.12000 0.00000 0.00000 1.12000 3.71000 19.04000 0.00000 -3.82000 0.00000 -2.99000 0.00000 0.00000 74.00000 SHO1_2VKN-13_25.PDB -4.38000 -49.46000 -24.54000 -76.88000 -4.37000 98.60000 -96.71000 5.60000 46.67000 98.30000 0.00000 0.00000 1.12000 2.61000 18.81000 0.00000 -2.64000 0.00000 -2.68000 0.00000 0.00000 74.00000 SHO1_2VKN-13_26.PDB -4.41000 -51.42000 -27.34000 -79.30000 -5.68000 103.54000 -98.52000 6.70000 49.17000 100.95000 0.00000 0.00000 1.12000 3.08000 19.14000 0.00000 -3.20000 0.00000 -3.51000 0.00000 0.00000 74.00000 SHO1_2VKN-13_27.PDB -3.00000 -50.91000 -26.77000 -78.17000 -5.00000 102.26000 -97.45000 6.21000 48.97000 100.61000 0.00000 0.00000 1.12000 2.92000 19.02000 0.00000 -3.43000 0.00000 -3.37000 0.00000 0.00000 74.00000 SHO1_2VKN-13_28.PDB -4.68000 -49.36000 -24.57000 -77.57000 -4.19000 98.83000 -97.72000 5.71000 46.86000 98.79000 0.00000 0.00000 1.12000 3.21000 18.85000 0.00000 -3.13000 0.00000 -2.66000 0.00000 0.00000 74.00000 SHO1_2VKN-13_29.PDB -6.27000 -50.01000 -25.90000 -77.76000 -5.14000 101.00000 -97.61000 5.78000 47.22000 98.89000 0.00000 0.00000 1.12000 2.69000 18.90000 0.00000 -3.57000 0.00000 -3.00000 0.00000 0.00000 74.00000 SHO1_2VKN-13_30.PDB -3.54000 -50.87000 -26.90000 -77.78000 -4.51000 100.43000 -97.13000 6.68000 48.42000 100.01000 0.00000 0.00000 1.12000 3.01000 19.04000 0.00000 -3.34000 0.00000 -2.67000 0.00000 0.00000 74.00000