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-16_1.PDB 7.91000 -47.81000 -23.08000 -75.24000 -2.01000 97.49000 -96.28000 9.68000 44.22000 102.18000 0.00000 0.00000 1.12000 2.70000 19.23000 0.00000 -3.30000 0.00000 -1.76000 0.00000 0.00000 75.00000 SHO1_2VKN-16_2.PDB 8.20000 -47.81000 -23.25000 -75.93000 -1.95000 97.93000 -97.01000 9.19000 44.67000 103.11000 0.00000 0.00000 1.12000 3.01000 19.41000 0.00000 -3.11000 0.00000 -1.77000 0.00000 0.00000 75.00000 SHO1_2VKN-16_3.PDB 6.21000 -47.69000 -23.70000 -75.78000 -3.04000 98.12000 -96.54000 8.73000 45.57000 102.97000 0.00000 0.00000 1.12000 2.87000 19.31000 0.00000 -3.59000 0.00000 -2.83000 0.00000 0.00000 75.00000 SHO1_2VKN-16_4.PDB 7.53000 -47.90000 -23.39000 -75.14000 -2.07000 96.87000 -96.27000 8.70000 44.27000 103.28000 0.00000 0.00000 1.12000 3.09000 19.24000 0.00000 -3.33000 0.00000 -1.68000 0.00000 0.00000 75.00000 SHO1_2VKN-16_5.PDB 7.62000 -47.88000 -23.48000 -74.61000 -2.18000 97.06000 -95.31000 9.00000 43.98000 102.18000 0.00000 0.00000 1.12000 2.94000 19.11000 0.00000 -3.40000 0.00000 -1.80000 0.00000 0.00000 75.00000 SHO1_2VKN-16_6.PDB 9.35000 -47.50000 -22.90000 -75.78000 -1.72000 97.54000 -96.82000 8.81000 44.60000 104.17000 0.00000 0.00000 1.12000 2.83000 19.43000 0.00000 -3.18000 0.00000 -1.84000 0.00000 0.00000 75.00000 SHO1_2VKN-16_7.PDB 7.66000 -47.61000 -23.89000 -75.23000 -2.61000 97.36000 -96.27000 8.94000 44.91000 103.79000 0.00000 0.00000 1.12000 2.89000 19.16000 0.00000 -3.24000 0.00000 -2.50000 0.00000 0.00000 75.00000 SHO1_2VKN-16_8.PDB 9.01000 -47.86000 -23.28000 -75.08000 -2.16000 97.17000 -95.97000 9.23000 44.00000 103.80000 0.00000 0.00000 1.12000 3.02000 19.19000 0.00000 -3.22000 0.00000 -1.77000 0.00000 0.00000 75.00000 SHO1_2VKN-16_9.PDB 9.42000 -47.66000 -23.99000 -75.23000 -1.64000 97.73000 -95.67000 8.77000 44.57000 103.09000 0.00000 0.00000 1.12000 2.78000 19.41000 0.00000 -2.78000 0.00000 -1.67000 0.00000 0.00000 75.00000 SHO1_2VKN-16_10.PDB 8.48000 -46.95000 -22.94000 -75.68000 -2.94000 98.12000 -96.42000 10.16000 44.63000 102.77000 0.00000 0.00000 1.12000 2.95000 19.21000 0.00000 -3.53000 0.00000 -2.82000 0.00000 0.00000 75.00000 SHO1_2VKN-16_11.PDB 7.49000 -47.13000 -22.51000 -75.44000 -1.59000 96.77000 -97.11000 8.72000 43.50000 102.28000 0.00000 0.00000 1.12000 3.13000 19.24000 0.00000 -2.84000 0.00000 -1.41000 0.00000 0.00000 75.00000 SHO1_2VKN-16_12.PDB 9.90000 -47.74000 -23.18000 -75.96000 -1.93000 97.94000 -96.92000 9.15000 44.86000 104.17000 0.00000 0.00000 1.12000 2.87000 19.46000 0.00000 -2.60000 0.00000 -1.89000 0.00000 0.00000 75.00000 SHO1_2VKN-16_13.PDB 8.55000 -47.73000 -23.97000 -76.68000 -2.65000 98.64000 -98.77000 11.20000 45.58000 103.38000 0.00000 0.00000 1.12000 3.63000 19.24000 0.00000 -3.06000 0.00000 -2.15000 0.00000 0.00000 75.00000 SHO1_2VKN-16_14.PDB 7.70000 -47.79000 -24.12000 -74.90000 -2.61000 97.05000 -95.77000 8.42000 44.90000 103.87000 0.00000 0.00000 1.12000 3.36000 19.19000 0.00000 -3.32000 0.00000 -2.52000 0.00000 0.00000 75.00000 SHO1_2VKN-16_15.PDB 8.43000 -47.86000 -23.29000 -75.13000 -2.38000 97.63000 -95.66000 8.79000 44.48000 103.21000 0.00000 0.00000 1.12000 2.72000 19.16000 0.00000 -3.20000 0.00000 -2.01000 0.00000 0.00000 75.00000 SHO1_2VKN-16_16.PDB 7.05000 -47.96000 -23.36000 -74.38000 -2.14000 96.13000 -95.19000 8.70000 43.83000 101.97000 0.00000 0.00000 1.12000 3.00000 19.01000 0.00000 -2.92000 0.00000 -1.75000 0.00000 0.00000 75.00000 SHO1_2VKN-16_17.PDB 9.08000 -47.03000 -22.40000 -76.28000 -1.16000 97.60000 -97.93000 8.69000 43.98000 103.16000 0.00000 0.00000 1.12000 3.35000 19.47000 0.00000 -2.66000 0.00000 -1.37000 0.00000 0.00000 75.00000 SHO1_2VKN-16_18.PDB 4.02000 -47.90000 -23.44000 -74.76000 -2.13000 96.62000 -95.78000 6.48000 44.18000 101.40000 0.00000 0.00000 1.12000 3.05000 19.20000 0.00000 -3.06000 0.00000 -1.78000 0.00000 0.00000 75.00000 SHO1_2VKN-16_19.PDB 7.58000 -46.67000 -22.90000 -75.55000 -2.07000 97.26000 -96.92000 8.78000 44.24000 102.92000 0.00000 0.00000 1.12000 2.94000 19.15000 0.00000 -3.48000 0.00000 -2.10000 0.00000 0.00000 75.00000 SHO1_2VKN-16_20.PDB 10.23000 -47.72000 -23.10000 -77.57000 -2.13000 99.82000 -99.51000 11.31000 45.72000 103.68000 0.00000 0.00000 1.12000 3.59000 19.48000 0.00000 -3.11000 0.00000 -1.86000 0.00000 0.00000 75.00000 SHO1_2VKN-16_21.PDB 8.51000 -47.66000 -25.13000 -77.11000 -2.68000 99.49000 -98.87000 11.37000 46.24000 103.25000 0.00000 0.00000 1.12000 3.78000 19.25000 0.00000 -3.09000 0.00000 -2.20000 0.00000 0.00000 75.00000 SHO1_2VKN-16_22.PDB 10.06000 -47.48000 -22.96000 -75.44000 -1.76000 97.49000 -96.18000 8.79000 44.32000 103.91000 0.00000 0.00000 1.12000 2.71000 19.34000 0.00000 -2.75000 0.00000 -1.74000 0.00000 0.00000 75.00000 SHO1_2VKN-16_23.PDB 8.11000 -47.62000 -23.91000 -74.97000 -2.95000 97.49000 -95.37000 9.45000 45.03000 103.64000 0.00000 0.00000 1.12000 2.68000 19.14000 0.00000 -3.73000 0.00000 -2.75000 0.00000 0.00000 75.00000 SHO1_2VKN-16_24.PDB 8.89000 -47.95000 -23.37000 -75.00000 -2.18000 97.14000 -95.72000 9.67000 44.05000 103.02000 0.00000 0.00000 1.12000 3.29000 19.14000 0.00000 -3.48000 0.00000 -1.70000 0.00000 0.00000 75.00000 SHO1_2VKN-16_25.PDB 8.59000 -47.69000 -23.08000 -75.12000 -1.90000 97.49000 -95.66000 8.91000 44.23000 102.85000 0.00000 0.00000 1.12000 2.66000 19.22000 0.00000 -3.36000 0.00000 -1.85000 0.00000 0.00000 75.00000 SHO1_2VKN-16_26.PDB 7.10000 -47.62000 -24.00000 -74.83000 -2.78000 97.33000 -95.56000 8.62000 44.97000 102.75000 0.00000 0.00000 1.12000 3.03000 18.95000 0.00000 -3.21000 0.00000 -2.73000 0.00000 0.00000 75.00000 SHO1_2VKN-16_27.PDB 5.81000 -47.66000 -23.80000 -75.22000 -1.73000 97.59000 -96.05000 6.71000 44.52000 102.15000 0.00000 0.00000 1.12000 2.84000 19.39000 0.00000 -2.89000 0.00000 -1.77000 0.00000 0.00000 75.00000 SHO1_2VKN-16_28.PDB 3.86000 -47.81000 -23.28000 -74.91000 -2.26000 96.91000 -96.03000 6.34000 44.28000 101.34000 0.00000 0.00000 1.12000 3.15000 19.20000 0.00000 -3.02000 0.00000 -1.97000 0.00000 0.00000 75.00000 SHO1_2VKN-16_29.PDB 9.11000 -46.79000 -22.10000 -75.23000 -1.65000 96.69000 -96.65000 8.71000 43.19000 103.11000 0.00000 0.00000 1.12000 2.96000 19.13000 0.00000 -2.81000 0.00000 -1.45000 0.00000 0.00000 75.00000 SHO1_2VKN-16_30.PDB 8.58000 -47.65000 -25.27000 -77.36000 -2.99000 99.87000 -99.38000 11.40000 47.27000 104.19000 0.00000 0.00000 1.12000 3.60000 19.33000 0.00000 -3.62000 0.00000 -2.59000 0.00000 0.00000 75.00000