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-26_1.PDB -5.55000 -50.92000 -29.72000 -76.77000 -3.82000 99.94000 -96.62000 5.96000 47.57000 100.78000 0.00000 0.00000 1.12000 2.87000 19.56000 0.00000 -3.54000 0.00000 -2.41000 0.00000 0.00000 75.00000 SHO1_2VKN-26_2.PDB -3.38000 -48.71000 -28.32000 -75.79000 -4.01000 97.87000 -96.04000 5.78000 47.06000 100.73000 0.00000 0.00000 1.12000 2.75000 19.45000 0.00000 -2.81000 0.00000 -3.02000 0.00000 0.00000 75.00000 SHO1_2VKN-26_3.PDB -1.47000 -48.20000 -26.59000 -76.03000 -3.60000 98.34000 -96.31000 6.02000 46.42000 100.58000 0.00000 0.00000 1.12000 2.59000 19.29000 0.00000 -3.20000 0.00000 -2.61000 0.00000 0.00000 75.00000 SHO1_2VKN-26_4.PDB -1.58000 -50.44000 -28.66000 -76.31000 -3.90000 100.52000 -96.36000 6.16000 47.70000 102.28000 0.00000 0.00000 1.12000 2.77000 19.32000 0.00000 -3.56000 0.00000 -2.90000 0.00000 0.00000 75.00000 SHO1_2VKN-26_5.PDB -5.33000 -50.25000 -29.86000 -76.62000 -3.25000 99.02000 -96.81000 6.24000 47.43000 100.65000 0.00000 0.00000 1.12000 2.78000 19.57000 0.00000 -3.25000 0.00000 -2.54000 0.00000 0.00000 75.00000 SHO1_2VKN-26_6.PDB -5.15000 -50.01000 -28.53000 -76.53000 -3.53000 98.71000 -97.08000 6.68000 46.21000 100.62000 0.00000 0.00000 1.12000 3.26000 19.55000 0.00000 -3.62000 0.00000 -2.45000 0.00000 0.00000 75.00000 SHO1_2VKN-26_7.PDB -3.36000 -49.35000 -28.52000 -76.61000 -4.10000 99.18000 -96.70000 6.11000 48.18000 100.82000 0.00000 0.00000 1.12000 2.88000 19.50000 0.00000 -2.98000 0.00000 -3.41000 0.00000 0.00000 75.00000 SHO1_2VKN-26_8.PDB -4.30000 -48.76000 -27.63000 -76.09000 -3.70000 97.27000 -96.84000 6.13000 46.63000 100.87000 0.00000 0.00000 1.12000 2.80000 19.42000 0.00000 -3.41000 0.00000 -2.72000 0.00000 0.00000 75.00000 SHO1_2VKN-26_9.PDB -1.78000 -48.71000 -25.80000 -76.37000 -3.55000 98.74000 -96.56000 5.98000 45.77000 101.16000 0.00000 0.00000 1.12000 2.72000 19.31000 0.00000 -3.49000 0.00000 -2.80000 0.00000 0.00000 75.00000 SHO1_2VKN-26_10.PDB -3.51000 -49.73000 -28.56000 -76.67000 -3.36000 99.11000 -97.21000 6.43000 46.56000 101.72000 0.00000 0.00000 1.12000 2.67000 19.30000 0.00000 -3.33000 0.00000 -2.27000 0.00000 0.00000 75.00000 SHO1_2VKN-26_11.PDB -1.09000 -50.37000 -27.40000 -76.75000 -3.69000 100.17000 -96.88000 6.28000 47.68000 102.67000 0.00000 0.00000 1.12000 2.68000 19.32000 0.00000 -3.67000 0.00000 -2.95000 0.00000 0.00000 75.00000 SHO1_2VKN-26_12.PDB -5.15000 -48.85000 -27.66000 -76.38000 -3.44000 97.29000 -97.16000 6.10000 46.91000 100.09000 0.00000 0.00000 1.12000 2.80000 19.50000 0.00000 -3.43000 0.00000 -2.55000 0.00000 0.00000 75.00000 SHO1_2VKN-26_13.PDB -0.70000 -48.18000 -25.42000 -76.23000 -3.86000 98.49000 -96.79000 5.98000 46.25000 101.52000 0.00000 0.00000 1.12000 2.69000 19.28000 0.00000 -3.42000 0.00000 -2.85000 0.00000 0.00000 75.00000 SHO1_2VKN-26_14.PDB -3.65000 -49.01000 -29.09000 -75.91000 -4.33000 98.94000 -95.93000 6.47000 47.42000 99.80000 0.00000 0.00000 1.12000 2.85000 19.12000 0.00000 -3.40000 0.00000 -2.59000 0.00000 0.00000 75.00000 SHO1_2VKN-26_15.PDB -3.74000 -48.03000 -27.49000 -76.31000 -3.58000 97.49000 -97.03000 6.03000 46.80000 100.54000 0.00000 0.00000 1.12000 2.81000 19.48000 0.00000 -3.37000 0.00000 -2.71000 0.00000 0.00000 75.00000 SHO1_2VKN-26_16.PDB -2.16000 -47.24000 -26.80000 -76.71000 -3.52000 97.81000 -97.46000 6.02000 46.51000 100.70000 0.00000 0.00000 1.12000 2.74000 19.27000 0.00000 -2.82000 0.00000 -2.51000 0.00000 0.00000 75.00000 SHO1_2VKN-26_17.PDB -0.52000 -47.31000 -25.33000 -76.50000 -3.73000 97.68000 -97.21000 5.98000 46.26000 101.39000 0.00000 0.00000 1.12000 2.92000 19.24000 0.00000 -3.06000 0.00000 -2.73000 0.00000 0.00000 75.00000 SHO1_2VKN-26_18.PDB -0.85000 -50.24000 -27.92000 -77.04000 -4.15000 101.83000 -96.87000 6.38000 47.95000 101.45000 0.00000 0.00000 1.12000 2.72000 19.51000 0.00000 -2.97000 0.00000 -3.12000 0.00000 0.00000 75.00000 SHO1_2VKN-26_19.PDB -3.14000 -48.25000 -28.42000 -76.46000 -3.48000 98.36000 -96.79000 6.32000 47.24000 100.23000 0.00000 0.00000 1.12000 3.31000 19.59000 0.00000 -3.44000 0.00000 -2.88000 0.00000 0.00000 75.00000 SHO1_2VKN-26_20.PDB -3.90000 -49.45000 -28.11000 -76.16000 -3.43000 98.85000 -96.71000 6.54000 45.98000 100.69000 0.00000 0.00000 1.12000 2.53000 19.44000 0.00000 -3.46000 0.00000 -2.30000 0.00000 0.00000 75.00000 SHO1_2VKN-26_21.PDB -3.96000 -49.31000 -27.70000 -75.76000 -3.77000 98.42000 -96.00000 6.57000 45.59000 100.21000 0.00000 0.00000 1.12000 2.70000 19.43000 0.00000 -3.56000 0.00000 -2.46000 0.00000 0.00000 75.00000 SHO1_2VKN-26_22.PDB -0.32000 -49.03000 -27.32000 -76.47000 -3.35000 100.07000 -96.32000 6.31000 46.66000 101.33000 0.00000 0.00000 1.12000 2.77000 19.26000 0.00000 -3.32000 0.00000 -2.77000 0.00000 0.00000 75.00000 SHO1_2VKN-26_23.PDB -1.66000 -48.02000 -26.00000 -75.39000 -4.00000 97.69000 -95.87000 5.86000 45.83000 100.40000 0.00000 0.00000 1.12000 2.60000 19.36000 0.00000 -2.89000 0.00000 -2.99000 0.00000 0.00000 75.00000 SHO1_2VKN-26_24.PDB -0.89000 -48.58000 -25.64000 -76.46000 -3.77000 99.58000 -96.97000 6.47000 45.69000 100.79000 0.00000 0.00000 1.12000 2.76000 19.14000 0.00000 -3.50000 0.00000 -2.37000 0.00000 0.00000 75.00000 SHO1_2VKN-26_25.PDB -3.38000 -48.15000 -27.72000 -76.83000 -3.50000 98.22000 -97.57000 6.71000 47.18000 100.28000 0.00000 0.00000 1.12000 2.92000 19.54000 0.00000 -3.54000 0.00000 -2.51000 0.00000 0.00000 75.00000 SHO1_2VKN-26_26.PDB -2.36000 -49.52000 -26.52000 -76.12000 -3.73000 98.89000 -96.51000 6.39000 45.73000 101.16000 0.00000 0.00000 1.12000 2.56000 19.13000 0.00000 -3.36000 0.00000 -2.45000 0.00000 0.00000 75.00000 SHO1_2VKN-26_27.PDB -5.49000 -50.03000 -31.87000 -75.52000 -3.57000 98.77000 -95.39000 6.08000 47.35000 100.53000 0.00000 0.00000 1.12000 3.04000 19.34000 0.00000 -3.58000 0.00000 -2.41000 0.00000 0.00000 75.00000 SHO1_2VKN-26_28.PDB -5.18000 -50.79000 -27.86000 -76.52000 -3.66000 99.66000 -96.52000 5.91000 46.65000 100.44000 0.00000 0.00000 1.12000 2.60000 19.46000 0.00000 -3.45000 0.00000 -2.77000 0.00000 0.00000 75.00000 SHO1_2VKN-26_29.PDB -1.13000 -48.65000 -28.27000 -76.85000 -3.47000 99.05000 -97.20000 6.91000 48.29000 101.43000 0.00000 0.00000 1.12000 2.87000 19.19000 0.00000 -3.75000 0.00000 -2.62000 0.00000 0.00000 75.00000 SHO1_2VKN-26_30.PDB -4.49000 -49.64000 -26.69000 -75.87000 -3.39000 97.82000 -96.59000 6.17000 44.89000 100.34000 0.00000 0.00000 1.12000 2.61000 19.41000 0.00000 -3.20000 0.00000 -2.06000 0.00000 0.00000 75.00000