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-9_1.PDB -1.99000 -46.25000 -25.01000 -75.93000 -4.41000 97.08000 -96.54000 5.23000 47.00000 99.02000 0.00000 0.00000 1.12000 3.13000 18.22000 0.00000 -2.86000 0.00000 -3.60000 0.00000 0.00000 74.00000 SHO1_2VKN-9_2.PDB -1.74000 -47.24000 -25.26000 -77.72000 -4.40000 100.47000 -97.79000 5.29000 47.53000 99.56000 0.00000 0.00000 1.12000 3.05000 18.42000 0.00000 -2.87000 0.00000 -3.48000 0.00000 0.00000 74.00000 SHO1_2VKN-9_3.PDB -4.95000 -48.01000 -27.59000 -77.58000 -4.87000 99.34000 -97.76000 5.08000 48.85000 99.82000 0.00000 0.00000 1.12000 2.92000 18.38000 0.00000 -3.00000 0.00000 -3.28000 0.00000 0.00000 74.00000 SHO1_2VKN-9_4.PDB -4.27000 -47.21000 -26.03000 -76.53000 -3.37000 96.65000 -97.66000 5.08000 47.64000 99.38000 0.00000 0.00000 1.12000 2.87000 18.37000 0.00000 -3.29000 0.00000 -2.94000 0.00000 0.00000 74.00000 SHO1_2VKN-9_5.PDB -3.51000 -47.53000 -24.90000 -76.50000 -4.05000 98.34000 -96.50000 4.97000 46.81000 99.15000 0.00000 0.00000 1.12000 3.02000 18.35000 0.00000 -4.21000 0.00000 -3.25000 0.00000 0.00000 74.00000 SHO1_2VKN-9_6.PDB -4.52000 -49.02000 -27.65000 -77.29000 -4.93000 100.08000 -97.61000 6.14000 48.49000 99.41000 0.00000 0.00000 1.12000 3.58000 18.65000 0.00000 -3.37000 0.00000 -3.48000 0.00000 0.00000 74.00000 SHO1_2VKN-9_7.PDB -3.14000 -46.35000 -26.79000 -76.74000 -4.53000 98.60000 -96.99000 5.24000 47.85000 99.45000 0.00000 0.00000 1.12000 3.60000 18.49000 0.00000 -3.96000 0.00000 -3.64000 0.00000 0.00000 74.00000 SHO1_2VKN-9_8.PDB -2.69000 -48.60000 -27.02000 -77.10000 -4.31000 100.20000 -97.19000 5.11000 47.89000 100.57000 0.00000 0.00000 1.12000 3.38000 18.74000 0.00000 -3.47000 0.00000 -3.25000 0.00000 0.00000 74.00000 SHO1_2VKN-9_9.PDB -5.22000 -49.27000 -25.94000 -76.93000 -4.45000 99.05000 -97.53000 5.42000 47.85000 99.29000 0.00000 0.00000 1.12000 2.64000 18.54000 0.00000 -3.00000 0.00000 -3.48000 0.00000 0.00000 74.00000 SHO1_2VKN-9_10.PDB -3.94000 -49.86000 -27.76000 -77.75000 -4.27000 101.50000 -97.93000 5.12000 49.03000 99.76000 0.00000 0.00000 1.12000 3.37000 18.59000 0.00000 -3.19000 0.00000 -3.10000 0.00000 0.00000 74.00000 SHO1_2VKN-9_11.PDB -3.31000 -47.12000 -27.38000 -77.75000 -5.01000 101.16000 -97.61000 5.17000 48.32000 99.47000 0.00000 0.00000 1.12000 3.04000 18.47000 0.00000 -3.06000 0.00000 -3.67000 0.00000 0.00000 74.00000 SHO1_2VKN-9_12.PDB -3.17000 -48.02000 -27.41000 -77.85000 -4.16000 101.13000 -98.55000 5.62000 47.23000 99.90000 0.00000 0.00000 1.12000 3.43000 18.54000 0.00000 -2.74000 0.00000 -2.87000 0.00000 0.00000 74.00000 SHO1_2VKN-9_13.PDB -2.28000 -49.17000 -28.92000 -77.64000 -5.46000 102.85000 -97.42000 5.89000 49.26000 100.74000 0.00000 0.00000 1.12000 3.54000 18.54000 0.00000 -3.18000 0.00000 -3.89000 0.00000 0.00000 74.00000 SHO1_2VKN-9_14.PDB -3.93000 -48.63000 -28.64000 -77.38000 -4.74000 100.92000 -97.35000 5.14000 48.84000 101.13000 0.00000 0.00000 1.12000 3.29000 18.56000 0.00000 -3.78000 0.00000 -3.87000 0.00000 0.00000 74.00000 SHO1_2VKN-9_15.PDB -3.61000 -47.95000 -26.03000 -77.68000 -5.18000 99.45000 -97.96000 6.43000 48.90000 99.55000 0.00000 0.00000 1.12000 2.96000 18.40000 0.00000 -3.57000 0.00000 -3.66000 0.00000 0.00000 74.00000 SHO1_2VKN-9_16.PDB -2.86000 -49.75000 -27.92000 -78.71000 -4.87000 103.37000 -98.54000 5.05000 49.41000 100.92000 0.00000 0.00000 1.12000 3.57000 18.62000 0.00000 -3.09000 0.00000 -3.45000 0.00000 0.00000 74.00000 SHO1_2VKN-9_17.PDB -3.39000 -45.99000 -26.45000 -78.76000 -4.28000 100.37000 -99.28000 6.14000 47.63000 99.71000 0.00000 0.00000 1.12000 3.15000 18.49000 0.00000 -3.53000 0.00000 -3.21000 0.00000 0.00000 74.00000 SHO1_2VKN-9_18.PDB -4.84000 -47.15000 -25.64000 -76.31000 -3.12000 95.75000 -97.20000 5.70000 45.75000 98.28000 0.00000 0.00000 1.12000 2.91000 18.34000 0.00000 -2.68000 0.00000 -2.25000 0.00000 0.00000 74.00000 SHO1_2VKN-9_19.PDB -4.69000 -47.92000 -24.96000 -75.58000 -4.36000 96.74000 -96.20000 4.86000 46.51000 98.60000 0.00000 0.00000 1.12000 2.61000 18.16000 0.00000 -2.71000 0.00000 -3.40000 0.00000 0.00000 74.00000 SHO1_2VKN-9_20.PDB -1.98000 -48.36000 -25.94000 -77.30000 -4.92000 100.99000 -97.44000 5.04000 47.72000 100.18000 0.00000 0.00000 1.12000 3.63000 18.29000 0.00000 -2.93000 0.00000 -3.77000 0.00000 0.00000 74.00000 SHO1_2VKN-9_21.PDB -4.74000 -47.14000 -26.40000 -76.88000 -4.44000 98.22000 -97.25000 5.10000 48.01000 99.35000 0.00000 0.00000 1.12000 2.88000 18.36000 0.00000 -3.84000 0.00000 -3.47000 0.00000 0.00000 74.00000 SHO1_2VKN-9_22.PDB -3.10000 -48.61000 -27.18000 -78.41000 -3.72000 100.65000 -99.15000 6.85000 47.77000 100.01000 0.00000 0.00000 1.12000 2.90000 18.66000 0.00000 -3.02000 0.00000 -2.31000 0.00000 0.00000 74.00000 SHO1_2VKN-9_23.PDB -2.39000 -47.35000 -25.31000 -76.36000 -4.36000 98.98000 -96.28000 4.94000 46.66000 99.16000 0.00000 0.00000 1.12000 3.13000 18.34000 0.00000 -3.35000 0.00000 -3.36000 0.00000 0.00000 74.00000 SHO1_2VKN-9_24.PDB -3.59000 -48.72000 -29.24000 -77.89000 -4.71000 101.47000 -97.74000 5.07000 50.40000 100.51000 0.00000 0.00000 1.12000 2.95000 18.35000 0.00000 -3.43000 0.00000 -3.39000 0.00000 0.00000 74.00000 SHO1_2VKN-9_25.PDB -4.06000 -48.85000 -27.78000 -77.61000 -4.84000 101.00000 -97.71000 6.02000 48.20000 99.28000 0.00000 0.00000 1.12000 3.07000 18.59000 0.00000 -2.55000 0.00000 -3.41000 0.00000 0.00000 74.00000 SHO1_2VKN-9_26.PDB -1.37000 -48.26000 -26.42000 -77.07000 -4.65000 100.56000 -96.62000 5.05000 48.02000 100.11000 0.00000 0.00000 1.12000 3.10000 18.33000 0.00000 -3.03000 0.00000 -3.29000 0.00000 0.00000 74.00000 SHO1_2VKN-9_27.PDB -3.35000 -48.73000 -29.45000 -77.25000 -5.10000 100.14000 -97.03000 5.29000 50.59000 100.23000 0.00000 0.00000 1.12000 3.08000 18.39000 0.00000 -2.74000 0.00000 -3.51000 0.00000 0.00000 74.00000 SHO1_2VKN-9_28.PDB -6.00000 -47.98000 -24.58000 -76.44000 -3.57000 96.98000 -97.12000 5.13000 45.53000 98.34000 0.00000 0.00000 1.12000 2.73000 18.43000 0.00000 -3.48000 0.00000 -2.66000 0.00000 0.00000 74.00000 SHO1_2VKN-9_29.PDB -5.48000 -50.70000 -28.97000 -77.04000 -4.70000 101.71000 -96.98000 4.94000 48.73000 99.96000 0.00000 0.00000 1.12000 3.07000 18.64000 0.00000 -3.55000 0.00000 -3.07000 0.00000 0.00000 74.00000 SHO1_2VKN-9_30.PDB -5.36000 -48.98000 -27.41000 -79.03000 -4.25000 101.75000 -99.82000 5.26000 48.42000 99.82000 0.00000 0.00000 1.12000 3.42000 18.77000 0.00000 -3.18000 0.00000 -2.49000 0.00000 0.00000 74.00000