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-15_1.PDB -1.42000 -46.82000 -26.01000 -77.71000 -5.11000 101.06000 -98.37000 5.89000 47.45000 102.25000 0.00000 0.00000 1.12000 3.09000 21.18000 0.00000 -3.73000 0.00000 -4.53000 0.00000 0.00000 75.00000 SHO1_2VKN-15_2.PDB -0.86000 -48.36000 -26.52000 -76.95000 -4.09000 99.90000 -97.90000 5.96000 47.12000 103.11000 0.00000 0.00000 1.12000 3.04000 21.19000 0.00000 -4.06000 0.00000 -3.23000 0.00000 0.00000 75.00000 SHO1_2VKN-15_3.PDB -1.83000 -49.95000 -28.64000 -79.74000 -5.97000 105.20000 -100.40000 6.53000 51.07000 103.38000 0.00000 0.00000 1.12000 3.09000 21.62000 0.00000 -3.20000 0.00000 -4.33000 0.00000 0.00000 75.00000 SHO1_2VKN-15_4.PDB -1.78000 -47.30000 -26.74000 -79.56000 -6.58000 102.80000 -100.27000 6.54000 48.82000 103.41000 0.00000 0.00000 1.12000 4.20000 21.79000 0.00000 -3.51000 0.00000 -4.72000 0.00000 0.00000 75.00000 SHO1_2VKN-15_5.PDB -1.73000 -47.46000 -26.58000 -78.30000 -4.46000 101.23000 -99.39000 5.79000 47.91000 103.04000 0.00000 0.00000 1.12000 3.00000 21.19000 0.00000 -3.57000 0.00000 -4.08000 0.00000 0.00000 75.00000 SHO1_2VKN-15_6.PDB -2.74000 -48.96000 -27.05000 -79.62000 -4.86000 102.13000 -100.88000 6.16000 49.65000 103.86000 0.00000 0.00000 1.12000 3.14000 21.41000 0.00000 -3.65000 0.00000 -3.78000 0.00000 0.00000 75.00000 SHO1_2VKN-15_7.PDB -1.24000 -48.44000 -29.30000 -77.82000 -4.18000 100.91000 -98.42000 6.50000 49.83000 103.30000 0.00000 0.00000 1.12000 3.18000 21.57000 0.00000 -3.83000 0.00000 -4.09000 0.00000 0.00000 75.00000 SHO1_2VKN-15_8.PDB -0.46000 -48.93000 -26.73000 -77.14000 -2.78000 99.28000 -98.17000 6.09000 48.56000 102.60000 0.00000 0.00000 1.12000 2.90000 21.33000 0.00000 -4.41000 0.00000 -2.87000 0.00000 0.00000 75.00000 SHO1_2VKN-15_9.PDB 0.68000 -49.80000 -27.05000 -78.98000 -2.42000 101.71000 -100.86000 6.09000 48.85000 103.54000 0.00000 0.00000 1.12000 3.92000 22.12000 0.00000 -3.07000 0.00000 -2.39000 0.00000 0.00000 75.00000 SHO1_2VKN-15_10.PDB -1.48000 -47.98000 -27.08000 -78.95000 -4.70000 101.11000 -100.22000 6.44000 48.80000 103.17000 0.00000 0.00000 1.12000 4.26000 21.55000 0.00000 -4.00000 0.00000 -3.45000 0.00000 0.00000 75.00000 SHO1_2VKN-15_11.PDB -2.58000 -47.41000 -27.12000 -78.12000 -4.99000 100.65000 -99.20000 5.86000 48.60000 103.23000 0.00000 0.00000 1.12000 2.92000 21.24000 0.00000 -4.05000 0.00000 -4.07000 0.00000 0.00000 75.00000 SHO1_2VKN-15_12.PDB -2.70000 -46.88000 -28.59000 -78.22000 -4.81000 100.65000 -99.12000 5.81000 49.86000 102.78000 0.00000 0.00000 1.12000 3.11000 21.59000 0.00000 -3.94000 0.00000 -4.46000 0.00000 0.00000 75.00000 SHO1_2VKN-15_13.PDB -0.67000 -46.43000 -26.86000 -79.19000 -5.39000 101.72000 -100.70000 5.96000 50.45000 103.24000 0.00000 0.00000 1.12000 4.02000 21.56000 0.00000 -4.15000 0.00000 -4.47000 0.00000 0.00000 75.00000 SHO1_2VKN-15_14.PDB -2.05000 -47.21000 -25.64000 -79.09000 -4.03000 100.18000 -100.76000 5.86000 47.64000 103.15000 0.00000 0.00000 1.12000 2.99000 21.48000 0.00000 -3.22000 0.00000 -3.03000 0.00000 0.00000 75.00000 SHO1_2VKN-15_15.PDB -2.85000 -48.27000 -27.29000 -79.59000 -4.58000 100.73000 -101.26000 6.16000 50.00000 103.67000 0.00000 0.00000 1.12000 3.18000 21.36000 0.00000 -3.23000 0.00000 -3.49000 0.00000 0.00000 75.00000 SHO1_2VKN-15_16.PDB -3.31000 -48.39000 -26.75000 -80.30000 -4.24000 102.21000 -102.15000 5.73000 49.48000 103.98000 0.00000 0.00000 1.12000 2.96000 21.42000 0.00000 -3.73000 0.00000 -3.24000 0.00000 0.00000 75.00000 SHO1_2VKN-15_17.PDB -2.14000 -47.97000 -27.32000 -80.39000 -4.95000 102.44000 -102.00000 5.72000 50.25000 104.23000 0.00000 0.00000 1.12000 3.95000 21.72000 0.00000 -3.48000 0.00000 -3.73000 0.00000 0.00000 75.00000 SHO1_2VKN-15_18.PDB -1.71000 -47.43000 -27.26000 -77.10000 -4.96000 99.64000 -97.82000 6.52000 48.25000 102.78000 0.00000 0.00000 1.12000 3.21000 21.16000 0.00000 -4.29000 0.00000 -4.35000 0.00000 0.00000 75.00000 SHO1_2VKN-15_19.PDB 1.28000 -48.21000 -27.57000 -76.29000 -2.36000 98.75000 -96.57000 5.78000 47.20000 102.90000 0.00000 0.00000 1.12000 2.86000 21.72000 0.00000 -3.48000 0.00000 -2.86000 0.00000 0.00000 75.00000 SHO1_2VKN-15_20.PDB -1.32000 -47.53000 -25.88000 -79.22000 -5.14000 102.92000 -100.80000 5.88000 48.41000 103.32000 0.00000 0.00000 1.12000 3.09000 21.52000 0.00000 -3.97000 0.00000 -3.51000 0.00000 0.00000 75.00000 SHO1_2VKN-15_21.PDB -0.95000 -47.95000 -27.06000 -78.25000 -4.30000 100.53000 -99.24000 6.10000 48.74000 103.12000 0.00000 0.00000 1.12000 3.02000 21.83000 0.00000 -3.14000 0.00000 -3.63000 0.00000 0.00000 75.00000 SHO1_2VKN-15_22.PDB -1.78000 -47.95000 -27.46000 -79.25000 -5.18000 103.01000 -100.25000 5.79000 49.47000 103.60000 0.00000 0.00000 1.12000 3.05000 21.63000 0.00000 -3.51000 0.00000 -4.23000 0.00000 0.00000 75.00000 SHO1_2VKN-15_23.PDB -1.73000 -47.27000 -27.20000 -78.55000 -4.99000 101.15000 -99.37000 6.01000 48.53000 103.54000 0.00000 0.00000 1.12000 3.12000 21.75000 0.00000 -3.75000 0.00000 -4.08000 0.00000 0.00000 75.00000 SHO1_2VKN-15_24.PDB -1.89000 -47.43000 -27.43000 -78.58000 -4.81000 101.12000 -99.35000 5.87000 49.03000 103.70000 0.00000 0.00000 1.12000 2.86000 21.88000 0.00000 -3.78000 0.00000 -4.20000 0.00000 0.00000 75.00000 SHO1_2VKN-15_25.PDB -0.10000 -48.33000 -27.62000 -79.82000 -6.04000 103.44000 -100.26000 7.56000 50.17000 103.07000 0.00000 0.00000 1.12000 3.82000 21.24000 0.00000 -3.51000 0.00000 -3.71000 0.00000 0.00000 75.00000 SHO1_2VKN-15_26.PDB 0.90000 -47.28000 -26.26000 -77.94000 -2.82000 99.30000 -99.89000 5.67000 48.22000 102.54000 0.00000 0.00000 1.12000 3.91000 21.66000 0.00000 -2.90000 0.00000 -2.77000 0.00000 0.00000 75.00000 SHO1_2VKN-15_27.PDB -3.75000 -46.67000 -27.09000 -78.98000 -6.97000 102.49000 -99.62000 6.04000 47.89000 103.15000 0.00000 0.00000 1.12000 3.07000 21.64000 0.00000 -3.16000 0.00000 -5.02000 0.00000 0.00000 75.00000 SHO1_2VKN-15_28.PDB -2.11000 -47.84000 -29.33000 -78.91000 -4.58000 101.20000 -99.84000 6.78000 50.67000 103.14000 0.00000 0.00000 1.12000 3.24000 21.81000 0.00000 -3.91000 0.00000 -3.84000 0.00000 0.00000 75.00000 SHO1_2VKN-15_29.PDB -2.61000 -46.49000 -26.39000 -78.38000 -4.98000 100.20000 -99.72000 5.75000 47.86000 103.36000 0.00000 0.00000 1.12000 2.89000 21.55000 0.00000 -3.65000 0.00000 -4.16000 0.00000 0.00000 75.00000 SHO1_2VKN-15_30.PDB -0.05000 -47.20000 -25.80000 -79.13000 -2.00000 99.56000 -101.58000 5.85000 48.11000 103.32000 0.00000 0.00000 1.12000 2.75000 21.50000 0.00000 -2.96000 0.00000 -2.09000 0.00000 0.00000 75.00000