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-11_1.PDB -1.70000 -49.22000 -27.12000 -75.34000 -2.08000 97.35000 -95.73000 5.96000 44.45000 100.62000 0.00000 0.00000 1.12000 3.19000 20.06000 0.00000 -3.14000 0.00000 -1.77000 0.00000 0.00000 73.00000 SHO1_2VKN-11_2.PDB -2.00000 -48.86000 -25.30000 -75.04000 -1.92000 95.88000 -95.64000 5.91000 44.22000 99.80000 0.00000 0.00000 1.12000 3.05000 19.99000 0.00000 -3.49000 0.00000 -1.74000 0.00000 0.00000 73.00000 SHO1_2VKN-11_3.PDB -3.69000 -47.97000 -24.19000 -74.97000 -1.61000 94.45000 -96.06000 5.95000 42.94000 98.53000 0.00000 0.00000 1.12000 2.96000 19.88000 0.00000 -3.38000 0.00000 -1.48000 0.00000 0.00000 73.00000 SHO1_2VKN-11_4.PDB -5.57000 -48.80000 -26.03000 -76.72000 -5.78000 99.97000 -96.70000 6.20000 47.32000 97.80000 0.00000 0.00000 1.12000 2.58000 20.00000 0.00000 -3.43000 0.00000 -3.10000 0.00000 0.00000 73.00000 SHO1_2VKN-11_5.PDB -4.98000 -48.16000 -26.07000 -74.61000 -2.03000 95.47000 -95.26000 6.10000 43.66000 97.10000 0.00000 0.00000 1.12000 2.64000 19.89000 0.00000 -3.21000 0.00000 -1.73000 0.00000 0.00000 73.00000 SHO1_2VKN-11_6.PDB -5.93000 -47.38000 -23.58000 -74.89000 -1.94000 94.16000 -96.10000 6.03000 42.96000 95.77000 0.00000 0.00000 1.12000 2.76000 19.92000 0.00000 -3.13000 0.00000 -1.72000 0.00000 0.00000 73.00000 SHO1_2VKN-11_7.PDB -0.97000 -48.85000 -24.27000 -74.91000 -1.24000 95.56000 -95.53000 5.91000 43.41000 99.62000 0.00000 0.00000 1.12000 3.07000 19.99000 0.00000 -3.38000 0.00000 -1.49000 0.00000 0.00000 73.00000 SHO1_2VKN-11_8.PDB -1.50000 -49.18000 -26.35000 -75.39000 -1.62000 97.36000 -95.80000 6.04000 43.94000 100.47000 0.00000 0.00000 1.12000 3.10000 20.10000 0.00000 -3.41000 0.00000 -1.79000 0.00000 0.00000 73.00000 SHO1_2VKN-11_9.PDB -2.23000 -50.11000 -27.77000 -77.38000 -3.35000 101.21000 -97.63000 5.99000 47.14000 100.73000 0.00000 0.00000 1.12000 3.35000 20.30000 0.00000 -3.36000 0.00000 -2.16000 0.00000 0.00000 73.00000 SHO1_2VKN-11_10.PDB -1.42000 -47.92000 -25.87000 -74.53000 -2.06000 95.57000 -95.08000 5.98000 43.67000 99.47000 0.00000 0.00000 1.12000 3.40000 19.80000 0.00000 -3.46000 0.00000 -1.72000 0.00000 0.00000 73.00000 SHO1_2VKN-11_11.PDB -3.13000 -49.19000 -24.68000 -75.57000 -1.63000 96.59000 -96.50000 5.74000 43.61000 99.50000 0.00000 0.00000 1.12000 2.80000 20.17000 0.00000 -3.18000 0.00000 -1.75000 0.00000 0.00000 73.00000 SHO1_2VKN-11_12.PDB -3.11000 -48.77000 -25.28000 -74.71000 -1.75000 96.61000 -95.25000 6.76000 43.87000 96.22000 0.00000 0.00000 1.12000 2.91000 19.95000 0.00000 -3.07000 0.00000 -1.78000 0.00000 0.00000 73.00000 SHO1_2VKN-11_13.PDB -3.82000 -48.90000 -25.26000 -74.89000 -1.34000 95.72000 -95.70000 6.06000 44.14000 97.20000 0.00000 0.00000 1.12000 2.95000 19.94000 0.00000 -3.25000 0.00000 -1.67000 0.00000 0.00000 73.00000 SHO1_2VKN-11_14.PDB -2.85000 -47.95000 -24.21000 -74.83000 -1.71000 94.60000 -95.76000 5.78000 43.05000 98.54000 0.00000 0.00000 1.12000 3.26000 19.90000 0.00000 -3.27000 0.00000 -1.47000 0.00000 0.00000 73.00000 SHO1_2VKN-11_15.PDB -5.87000 -48.18000 -25.41000 -76.04000 -3.25000 97.85000 -96.63000 6.11000 44.69000 96.27000 0.00000 0.00000 1.12000 2.84000 19.93000 0.00000 -2.89000 0.00000 -2.37000 0.00000 0.00000 73.00000 SHO1_2VKN-11_16.PDB -1.08000 -48.02000 -25.89000 -76.29000 -5.46000 98.57000 -96.16000 6.80000 46.78000 100.47000 0.00000 0.00000 1.12000 3.08000 19.83000 0.00000 -3.27000 0.00000 -2.80000 0.00000 0.00000 73.00000 SHO1_2VKN-11_17.PDB -0.99000 -49.16000 -27.16000 -75.24000 -1.65000 97.32000 -95.60000 6.02000 44.44000 100.53000 0.00000 0.00000 1.12000 3.34000 20.15000 0.00000 -3.20000 0.00000 -1.76000 0.00000 0.00000 73.00000 SHO1_2VKN-11_18.PDB -1.66000 -50.07000 -26.44000 -77.37000 -3.13000 101.04000 -97.79000 6.44000 46.77000 100.12000 0.00000 0.00000 1.12000 3.73000 20.35000 0.00000 -3.81000 0.00000 -2.28000 0.00000 0.00000 73.00000 SHO1_2VKN-11_19.PDB -0.38000 -49.69000 -25.87000 -75.12000 -1.80000 96.71000 -95.70000 5.98000 44.98000 100.76000 0.00000 0.00000 1.12000 3.11000 20.00000 0.00000 -3.27000 0.00000 -1.59000 0.00000 0.00000 73.00000 SHO1_2VKN-11_20.PDB -0.42000 -47.94000 -26.71000 -76.11000 -3.28000 98.42000 -96.50000 6.19000 45.49000 101.45000 0.00000 0.00000 1.12000 3.17000 19.84000 0.00000 -3.59000 0.00000 -2.12000 0.00000 0.00000 73.00000 SHO1_2VKN-11_21.PDB -1.34000 -47.93000 -25.79000 -74.18000 -1.79000 94.87000 -94.62000 5.91000 43.24000 99.81000 0.00000 0.00000 1.12000 3.09000 19.70000 0.00000 -3.57000 0.00000 -1.51000 0.00000 0.00000 73.00000 SHO1_2VKN-11_22.PDB -2.37000 -47.94000 -23.43000 -74.72000 -1.24000 94.38000 -95.65000 5.93000 42.43000 98.44000 0.00000 0.00000 1.12000 3.23000 19.91000 0.00000 -3.45000 0.00000 -1.48000 0.00000 0.00000 73.00000 SHO1_2VKN-11_23.PDB -1.15000 -47.98000 -24.53000 -73.58000 -1.82000 94.30000 -94.10000 6.18000 42.69000 98.31000 0.00000 0.00000 1.12000 2.94000 19.50000 0.00000 -3.19000 0.00000 -1.48000 0.00000 0.00000 73.00000 SHO1_2VKN-11_24.PDB -2.91000 -47.97000 -24.18000 -74.76000 -1.70000 94.45000 -95.73000 5.92000 42.97000 98.93000 0.00000 0.00000 1.12000 2.88000 19.78000 0.00000 -3.31000 0.00000 -1.54000 0.00000 0.00000 73.00000 SHO1_2VKN-11_25.PDB -2.65000 -48.74000 -25.82000 -74.94000 -2.58000 96.48000 -95.35000 5.93000 44.40000 98.82000 0.00000 0.00000 1.12000 2.79000 19.68000 0.00000 -3.04000 0.00000 -1.71000 0.00000 0.00000 73.00000 SHO1_2VKN-11_26.PDB -3.25000 -49.69000 -25.92000 -75.07000 -1.97000 96.66000 -95.77000 6.05000 44.98000 98.31000 0.00000 0.00000 1.12000 2.82000 19.97000 0.00000 -3.10000 0.00000 -1.66000 0.00000 0.00000 73.00000 SHO1_2VKN-11_27.PDB -4.34000 -48.98000 -28.25000 -76.26000 -3.40000 100.20000 -96.53000 6.81000 46.02000 98.17000 0.00000 0.00000 1.12000 2.82000 20.02000 0.00000 -3.74000 0.00000 -2.33000 0.00000 0.00000 73.00000 SHO1_2VKN-11_28.PDB -2.50000 -48.77000 -24.93000 -74.98000 -1.73000 95.37000 -95.99000 5.90000 43.91000 99.79000 0.00000 0.00000 1.12000 2.97000 19.89000 0.00000 -3.59000 0.00000 -1.58000 0.00000 0.00000 73.00000 SHO1_2VKN-11_29.PDB -3.50000 -47.32000 -23.52000 -74.00000 -1.58000 93.15000 -95.08000 6.02000 42.15000 97.29000 0.00000 0.00000 1.12000 2.85000 19.60000 0.00000 -3.11000 0.00000 -1.48000 0.00000 0.00000 73.00000 SHO1_2VKN-11_30.PDB -6.77000 -49.97000 -27.31000 -76.88000 -3.80000 100.34000 -97.58000 6.03000 46.61000 97.49000 0.00000 0.00000 1.12000 2.68000 20.15000 0.00000 -3.29000 0.00000 -2.22000 0.00000 0.00000 73.00000