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-7_1.PDB -2.98000 -46.36000 -23.78000 -74.88000 -4.08000 95.23000 -95.09000 6.63000 44.64000 98.16000 0.00000 0.00000 1.12000 3.24000 18.02000 0.00000 -4.11000 0.00000 -3.72000 0.00000 0.00000 74.00000 SHO1_2VKN-7_2.PDB -1.58000 -46.04000 -23.30000 -74.47000 -3.60000 94.30000 -95.03000 7.33000 43.96000 98.10000 0.00000 0.00000 1.12000 2.85000 18.00000 0.00000 -3.59000 0.00000 -3.22000 0.00000 0.00000 74.00000 SHO1_2VKN-7_3.PDB -0.89000 -46.39000 -22.95000 -73.78000 -3.46000 93.38000 -94.57000 7.43000 43.52000 98.47000 0.00000 0.00000 1.12000 2.84000 17.94000 0.00000 -3.13000 0.00000 -3.37000 0.00000 0.00000 74.00000 SHO1_2VKN-7_4.PDB -2.75000 -46.37000 -23.12000 -74.84000 -4.25000 95.34000 -95.15000 6.43000 44.00000 98.15000 0.00000 0.00000 1.12000 3.14000 17.99000 0.00000 -3.35000 0.00000 -3.86000 0.00000 0.00000 74.00000 SHO1_2VKN-7_5.PDB -3.25000 -46.37000 -23.93000 -75.06000 -4.33000 95.86000 -95.38000 6.37000 44.76000 97.98000 0.00000 0.00000 1.12000 3.08000 18.03000 0.00000 -3.57000 0.00000 -3.80000 0.00000 0.00000 74.00000 SHO1_2VKN-7_6.PDB -2.31000 -45.60000 -23.04000 -75.27000 -4.79000 95.33000 -95.74000 7.52000 44.34000 98.28000 0.00000 0.00000 1.12000 3.21000 17.98000 0.00000 -3.59000 0.00000 -4.06000 0.00000 0.00000 74.00000 SHO1_2VKN-7_7.PDB -4.00000 -46.77000 -23.69000 -74.35000 -3.47000 94.71000 -94.97000 5.44000 43.66000 97.24000 0.00000 0.00000 1.12000 2.79000 17.96000 0.00000 -2.80000 0.00000 -2.91000 0.00000 0.00000 74.00000 SHO1_2VKN-7_8.PDB -3.80000 -46.39000 -23.25000 -74.09000 -3.15000 93.82000 -95.13000 5.76000 43.07000 97.63000 0.00000 0.00000 1.12000 2.76000 17.99000 0.00000 -2.78000 0.00000 -3.16000 0.00000 0.00000 74.00000 SHO1_2VKN-7_9.PDB -3.49000 -46.87000 -23.22000 -74.05000 -2.58000 93.32000 -95.04000 5.54000 43.12000 97.82000 0.00000 0.00000 1.12000 2.71000 17.95000 0.00000 -2.99000 0.00000 -2.37000 0.00000 0.00000 74.00000 SHO1_2VKN-7_10.PDB -3.37000 -45.57000 -22.56000 -74.66000 -3.79000 94.30000 -95.31000 6.59000 43.51000 97.39000 0.00000 0.00000 1.12000 2.70000 17.99000 0.00000 -3.56000 0.00000 -3.53000 0.00000 0.00000 74.00000 SHO1_2VKN-7_11.PDB -1.61000 -47.62000 -26.10000 -74.73000 -4.63000 97.49000 -94.36000 6.34000 46.17000 99.26000 0.00000 0.00000 1.12000 3.24000 18.03000 0.00000 -4.04000 0.00000 -3.75000 0.00000 0.00000 74.00000 SHO1_2VKN-7_12.PDB -2.38000 -46.79000 -26.67000 -74.70000 -5.05000 97.20000 -94.21000 6.39000 46.07000 99.34000 0.00000 0.00000 1.12000 3.89000 18.01000 0.00000 -4.80000 0.00000 -4.17000 0.00000 0.00000 74.00000 SHO1_2VKN-7_13.PDB -3.78000 -46.02000 -22.92000 -74.49000 -3.92000 94.40000 -95.02000 6.55000 43.86000 97.28000 0.00000 0.00000 1.12000 2.62000 17.99000 0.00000 -3.78000 0.00000 -3.47000 0.00000 0.00000 74.00000 SHO1_2VKN-7_14.PDB -1.49000 -47.08000 -25.61000 -74.82000 -3.97000 96.73000 -94.99000 5.71000 46.03000 98.80000 0.00000 0.00000 1.12000 3.23000 17.97000 0.00000 -3.35000 0.00000 -3.31000 0.00000 0.00000 74.00000 SHO1_2VKN-7_15.PDB -2.01000 -46.37000 -23.18000 -75.13000 -3.52000 95.50000 -95.86000 6.82000 43.93000 97.39000 0.00000 0.00000 1.12000 2.74000 18.01000 0.00000 -2.73000 0.00000 -2.71000 0.00000 0.00000 74.00000 SHO1_2VKN-7_16.PDB -2.12000 -47.30000 -24.52000 -74.46000 -3.56000 95.03000 -94.97000 6.95000 44.85000 98.44000 0.00000 0.00000 1.12000 2.99000 17.94000 0.00000 -3.16000 0.00000 -3.55000 0.00000 0.00000 74.00000 SHO1_2VKN-7_17.PDB -3.54000 -47.75000 -24.71000 -74.07000 -3.00000 94.28000 -94.75000 5.63000 44.20000 98.46000 0.00000 0.00000 1.12000 2.93000 17.96000 0.00000 -3.03000 0.00000 -2.86000 0.00000 0.00000 74.00000 SHO1_2VKN-7_18.PDB 0.34000 -46.34000 -24.18000 -73.51000 -3.39000 94.04000 -93.86000 5.78000 44.94000 99.00000 0.00000 0.00000 1.12000 3.15000 17.90000 0.00000 -2.99000 0.00000 -3.43000 0.00000 0.00000 74.00000 SHO1_2VKN-7_19.PDB -1.28000 -47.73000 -27.25000 -74.21000 -3.94000 96.94000 -93.93000 5.36000 47.26000 98.50000 0.00000 0.00000 1.12000 3.20000 17.95000 0.00000 -3.42000 0.00000 -3.19000 0.00000 0.00000 74.00000 SHO1_2VKN-7_20.PDB -1.59000 -46.81000 -26.17000 -74.55000 -4.78000 96.93000 -94.13000 6.63000 45.83000 99.13000 0.00000 0.00000 1.12000 3.28000 17.97000 0.00000 -3.91000 0.00000 -4.15000 0.00000 0.00000 74.00000 SHO1_2VKN-7_21.PDB -0.71000 -47.63000 -25.74000 -73.83000 -3.92000 96.55000 -93.57000 5.42000 45.28000 99.63000 0.00000 0.00000 1.12000 3.57000 17.93000 0.00000 -3.76000 0.00000 -3.84000 0.00000 0.00000 74.00000 SHO1_2VKN-7_22.PDB -3.42000 -46.27000 -22.97000 -75.01000 -3.82000 95.05000 -95.75000 6.88000 44.06000 97.35000 0.00000 0.00000 1.12000 2.86000 18.01000 0.00000 -3.42000 0.00000 -3.48000 0.00000 0.00000 74.00000 SHO1_2VKN-7_23.PDB -4.69000 -45.57000 -23.11000 -74.99000 -4.32000 94.83000 -95.43000 6.45000 43.94000 97.30000 0.00000 0.00000 1.12000 2.98000 18.02000 0.00000 -4.02000 0.00000 -3.88000 0.00000 0.00000 74.00000 SHO1_2VKN-7_24.PDB -2.37000 -47.74000 -24.87000 -75.14000 -3.58000 95.92000 -95.62000 6.64000 45.72000 98.30000 0.00000 0.00000 1.12000 2.96000 18.02000 0.00000 -3.12000 0.00000 -2.97000 0.00000 0.00000 74.00000 SHO1_2VKN-7_25.PDB -1.39000 -48.53000 -28.29000 -76.20000 -4.57000 100.38000 -95.86000 6.89000 47.24000 99.41000 0.00000 0.00000 1.12000 3.76000 18.33000 0.00000 -3.48000 0.00000 -3.27000 0.00000 0.00000 74.00000 SHO1_2VKN-7_26.PDB -2.90000 -46.33000 -22.92000 -75.50000 -4.00000 95.46000 -96.24000 7.38000 44.59000 97.38000 0.00000 0.00000 1.12000 2.90000 18.00000 0.00000 -3.45000 0.00000 -3.29000 0.00000 0.00000 74.00000 SHO1_2VKN-7_27.PDB -2.42000 -46.14000 -25.98000 -75.57000 -5.39000 98.07000 -95.23000 6.42000 46.69000 98.98000 0.00000 0.00000 1.12000 3.24000 18.00000 0.00000 -4.28000 0.00000 -4.34000 0.00000 0.00000 74.00000 SHO1_2VKN-7_28.PDB -2.08000 -47.04000 -24.98000 -74.26000 -4.24000 96.88000 -94.21000 6.55000 44.28000 97.85000 0.00000 0.00000 1.12000 3.02000 18.06000 0.00000 -3.38000 0.00000 -3.66000 0.00000 0.00000 74.00000 SHO1_2VKN-7_29.PDB -1.58000 -47.01000 -27.22000 -74.52000 -4.51000 97.57000 -94.32000 6.78000 46.64000 97.73000 0.00000 0.00000 1.12000 2.94000 18.04000 0.00000 -3.17000 0.00000 -3.60000 0.00000 0.00000 74.00000 SHO1_2VKN-7_30.PDB -4.16000 -46.37000 -23.34000 -73.92000 -2.99000 93.24000 -95.01000 6.43000 42.93000 96.75000 0.00000 0.00000 1.12000 2.59000 17.99000 0.00000 -2.62000 0.00000 -2.97000 0.00000 0.00000 74.00000