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-20_1.PDB -2.96000 -48.01000 -27.49000 -78.13000 -4.28000 102.07000 -99.29000 6.76000 46.62000 101.27000 0.00000 0.00000 1.12000 2.65000 19.08000 0.00000 -3.01000 0.00000 -3.24000 0.00000 0.00000 75.00000 SHO1_2VKN-20_2.PDB -3.55000 -47.67000 -26.93000 -78.64000 -4.02000 101.82000 -100.21000 6.74000 46.65000 101.15000 0.00000 0.00000 1.12000 2.90000 19.18000 0.00000 -3.19000 0.00000 -3.27000 0.00000 0.00000 75.00000 SHO1_2VKN-20_3.PDB -1.79000 -48.84000 -25.84000 -77.54000 -4.11000 100.97000 -98.40000 6.70000 46.91000 101.84000 0.00000 0.00000 1.12000 2.72000 19.05000 0.00000 -4.04000 0.00000 -3.27000 0.00000 0.00000 75.00000 SHO1_2VKN-20_4.PDB -3.18000 -48.44000 -27.81000 -78.58000 -4.37000 102.48000 -99.65000 6.70000 47.44000 101.49000 0.00000 0.00000 1.12000 2.84000 19.10000 0.00000 -3.07000 0.00000 -3.33000 0.00000 0.00000 75.00000 SHO1_2VKN-20_5.PDB -2.59000 -47.59000 -25.54000 -78.20000 -4.72000 101.30000 -99.52000 6.61000 46.40000 101.76000 0.00000 0.00000 1.12000 2.78000 19.07000 0.00000 -3.54000 0.00000 -3.46000 0.00000 0.00000 75.00000 SHO1_2VKN-20_6.PDB -3.32000 -49.02000 -28.50000 -78.56000 -4.43000 102.50000 -99.23000 6.72000 48.60000 102.42000 0.00000 0.00000 1.12000 3.11000 19.14000 0.00000 -4.48000 0.00000 -3.59000 0.00000 0.00000 75.00000 SHO1_2VKN-20_7.PDB -2.52000 -47.63000 -27.04000 -79.24000 -2.83000 101.97000 -101.55000 6.87000 46.81000 101.57000 0.00000 0.00000 1.12000 2.78000 19.11000 0.00000 -3.03000 0.00000 -2.34000 0.00000 0.00000 75.00000 SHO1_2VKN-20_8.PDB -1.99000 -48.17000 -28.06000 -78.61000 -2.52000 101.86000 -100.29000 6.67000 47.04000 101.79000 0.00000 0.00000 1.12000 2.73000 19.03000 0.00000 -3.27000 0.00000 -2.29000 0.00000 0.00000 75.00000 SHO1_2VKN-20_9.PDB -1.72000 -48.12000 -29.42000 -78.88000 -3.15000 102.70000 -100.56000 7.21000 47.76000 102.46000 0.00000 0.00000 1.12000 2.63000 19.11000 0.00000 -2.85000 0.00000 -2.62000 0.00000 0.00000 75.00000 SHO1_2VKN-20_10.PDB -2.06000 -48.46000 -27.00000 -78.57000 -2.67000 102.32000 -100.04000 6.82000 46.74000 101.49000 0.00000 0.00000 1.12000 2.71000 19.09000 0.00000 -4.06000 0.00000 -2.47000 0.00000 0.00000 75.00000 SHO1_2VKN-20_11.PDB -1.97000 -48.77000 -28.27000 -78.37000 -3.11000 102.34000 -99.63000 6.88000 47.22000 102.09000 0.00000 0.00000 1.12000 2.83000 19.10000 0.00000 -3.78000 0.00000 -2.52000 0.00000 0.00000 75.00000 SHO1_2VKN-20_12.PDB -1.60000 -48.94000 -30.04000 -79.09000 -2.65000 102.94000 -100.45000 7.25000 48.64000 102.63000 0.00000 0.00000 1.12000 2.89000 19.19000 0.00000 -3.66000 0.00000 -2.24000 0.00000 0.00000 75.00000 SHO1_2VKN-20_13.PDB -2.74000 -48.00000 -29.02000 -78.03000 -4.15000 102.35000 -99.08000 6.93000 47.47000 101.32000 0.00000 0.00000 1.12000 2.70000 19.10000 0.00000 -3.34000 0.00000 -3.04000 0.00000 0.00000 75.00000 SHO1_2VKN-20_14.PDB -3.13000 -48.15000 -27.47000 -79.10000 -4.20000 103.66000 -100.31000 6.71000 46.94000 101.59000 0.00000 0.00000 1.12000 2.67000 19.28000 0.00000 -3.48000 0.00000 -3.11000 0.00000 0.00000 75.00000 SHO1_2VKN-20_15.PDB -1.08000 -47.43000 -25.29000 -77.40000 -4.00000 100.72000 -99.08000 6.73000 45.91000 101.29000 0.00000 0.00000 1.12000 2.66000 19.01000 0.00000 -3.31000 0.00000 -2.99000 0.00000 0.00000 75.00000 SHO1_2VKN-20_16.PDB -0.77000 -46.78000 -25.97000 -77.54000 -3.31000 99.76000 -99.60000 7.51000 45.41000 101.19000 0.00000 0.00000 1.12000 2.94000 18.99000 0.00000 -3.05000 0.00000 -2.47000 0.00000 0.00000 75.00000 SHO1_2VKN-20_17.PDB -3.33000 -48.14000 -29.04000 -78.10000 -4.05000 102.20000 -99.25000 6.85000 47.40000 102.12000 0.00000 0.00000 1.12000 2.55000 19.09000 0.00000 -4.02000 0.00000 -2.96000 0.00000 0.00000 75.00000 SHO1_2VKN-20_18.PDB -0.38000 -47.82000 -27.09000 -76.97000 -3.33000 100.38000 -98.22000 6.61000 46.09000 101.86000 0.00000 0.00000 1.12000 2.84000 19.04000 0.00000 -3.35000 0.00000 -2.50000 0.00000 0.00000 75.00000 SHO1_2VKN-20_19.PDB -0.66000 -47.53000 -26.85000 -77.30000 -3.28000 99.96000 -98.97000 6.72000 46.23000 102.04000 0.00000 0.00000 1.12000 2.85000 18.96000 0.00000 -3.11000 0.00000 -2.55000 0.00000 0.00000 75.00000 SHO1_2VKN-20_20.PDB -1.56000 -47.87000 -28.91000 -77.30000 -3.31000 100.37000 -98.82000 6.75000 46.86000 102.00000 0.00000 0.00000 1.12000 3.05000 19.00000 0.00000 -3.07000 0.00000 -2.44000 0.00000 0.00000 75.00000 SHO1_2VKN-20_21.PDB -1.23000 -47.56000 -26.10000 -78.32000 -2.56000 101.47000 -100.41000 6.81000 45.78000 101.44000 0.00000 0.00000 1.12000 2.69000 19.10000 0.00000 -3.42000 0.00000 -2.18000 0.00000 0.00000 75.00000 SHO1_2VKN-20_22.PDB -1.45000 -48.01000 -25.44000 -78.34000 -3.27000 101.83000 -100.16000 6.84000 46.19000 101.91000 0.00000 0.00000 1.12000 2.53000 19.04000 0.00000 -3.86000 0.00000 -2.79000 0.00000 0.00000 75.00000 SHO1_2VKN-20_23.PDB -0.61000 -46.73000 -26.08000 -78.59000 -1.41000 99.92000 -101.44000 6.70000 45.67000 101.49000 0.00000 0.00000 1.12000 3.04000 19.08000 0.00000 -2.91000 0.00000 -1.40000 0.00000 0.00000 75.00000 SHO1_2VKN-20_24.PDB -0.52000 -48.00000 -29.12000 -77.61000 -3.47000 101.25000 -98.75000 6.66000 47.35000 102.46000 0.00000 0.00000 1.12000 3.74000 19.09000 0.00000 -3.56000 0.00000 -2.59000 0.00000 0.00000 75.00000 SHO1_2VKN-20_25.PDB 0.63000 -46.66000 -26.08000 -77.53000 -1.90000 99.81000 -99.85000 6.78000 45.02000 101.55000 0.00000 0.00000 1.12000 2.60000 19.02000 0.00000 -2.63000 0.00000 -1.59000 0.00000 0.00000 75.00000 SHO1_2VKN-20_26.PDB -1.55000 -47.56000 -27.05000 -79.10000 -2.88000 102.56000 -101.12000 6.72000 46.70000 102.15000 0.00000 0.00000 1.12000 2.73000 19.11000 0.00000 -3.34000 0.00000 -2.49000 0.00000 0.00000 75.00000 SHO1_2VKN-20_27.PDB -0.57000 -47.54000 -25.29000 -78.23000 -2.08000 99.83000 -100.47000 6.60000 46.17000 101.81000 0.00000 0.00000 1.12000 2.79000 18.95000 0.00000 -3.25000 0.00000 -2.03000 0.00000 0.00000 75.00000 SHO1_2VKN-20_28.PDB -0.14000 -47.22000 -28.41000 -78.68000 -2.03000 100.91000 -101.24000 7.29000 47.07000 102.66000 0.00000 0.00000 1.12000 3.04000 19.01000 0.00000 -2.90000 0.00000 -1.73000 0.00000 0.00000 75.00000 SHO1_2VKN-20_29.PDB 1.64000 -47.54000 -26.88000 -77.28000 -1.82000 100.31000 -98.86000 6.81000 45.52000 101.95000 0.00000 0.00000 1.12000 3.15000 18.99000 0.00000 -3.18000 0.00000 -1.67000 0.00000 0.00000 75.00000 SHO1_2VKN-20_30.PDB -2.81000 -48.25000 -27.63000 -78.95000 -4.23000 102.20000 -100.60000 6.80000 47.26000 102.48000 0.00000 0.00000 1.12000 3.67000 19.19000 0.00000 -3.16000 0.00000 -3.51000 0.00000 0.00000 75.00000