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-23_1.PDB 1.82000 -45.68000 -23.80000 -74.68000 -3.50000 92.72000 -95.29000 9.18000 45.05000 98.61000 0.00000 0.00000 1.12000 3.67000 19.79000 0.00000 -3.22000 0.00000 -2.37000 0.00000 0.00000 73.00000 SHO1_2VKN-23_2.PDB 1.97000 -45.57000 -22.21000 -74.62000 -3.07000 92.40000 -95.68000 9.09000 43.64000 97.95000 0.00000 0.00000 1.12000 3.42000 19.66000 0.00000 -2.17000 0.00000 -2.32000 0.00000 0.00000 73.00000 SHO1_2VKN-23_3.PDB 1.21000 -46.37000 -23.17000 -74.42000 -3.49000 93.03000 -95.33000 8.41000 43.97000 98.70000 0.00000 0.00000 1.12000 3.51000 19.56000 0.00000 -2.19000 0.00000 -2.56000 0.00000 0.00000 73.00000 SHO1_2VKN-23_4.PDB 2.26000 -45.69000 -24.02000 -74.65000 -3.24000 92.34000 -95.37000 9.74000 44.88000 98.30000 0.00000 0.00000 1.12000 3.76000 19.84000 0.00000 -2.73000 0.00000 -2.19000 0.00000 0.00000 73.00000 SHO1_2VKN-23_5.PDB 3.48000 -46.15000 -22.60000 -72.76000 -2.97000 90.59000 -93.36000 9.55000 43.20000 98.50000 0.00000 0.00000 1.12000 3.57000 19.58000 0.00000 -2.75000 0.00000 -2.48000 0.00000 0.00000 73.00000 SHO1_2VKN-23_6.PDB -0.15000 -47.17000 -24.36000 -74.97000 -3.51000 94.02000 -95.71000 8.95000 44.93000 97.73000 0.00000 0.00000 1.12000 3.42000 19.77000 0.00000 -2.30000 0.00000 -2.30000 0.00000 0.00000 73.00000 SHO1_2VKN-23_7.PDB 1.39000 -45.76000 -23.89000 -74.25000 -3.09000 91.79000 -95.06000 9.61000 44.68000 97.43000 0.00000 0.00000 1.12000 3.66000 19.67000 0.00000 -2.89000 0.00000 -1.96000 0.00000 0.00000 73.00000 SHO1_2VKN-23_8.PDB 3.63000 -45.15000 -21.22000 -74.19000 -3.25000 91.53000 -95.30000 9.38000 43.25000 98.88000 0.00000 0.00000 1.12000 3.79000 19.72000 0.00000 -2.99000 0.00000 -2.21000 0.00000 0.00000 73.00000 SHO1_2VKN-23_9.PDB 0.97000 -46.14000 -24.60000 -73.62000 -3.26000 92.34000 -94.02000 8.19000 44.11000 98.63000 0.00000 0.00000 1.12000 3.60000 19.68000 0.00000 -2.86000 0.00000 -2.54000 0.00000 0.00000 73.00000 SHO1_2VKN-23_10.PDB 3.11000 -46.27000 -22.32000 -75.56000 -3.28000 94.00000 -96.20000 9.87000 44.26000 99.34000 0.00000 0.00000 1.12000 3.69000 19.69000 0.00000 -3.40000 0.00000 -2.12000 0.00000 0.00000 73.00000 SHO1_2VKN-23_11.PDB 3.26000 -45.47000 -22.38000 -73.67000 -2.86000 91.10000 -94.35000 10.05000 43.24000 97.74000 0.00000 0.00000 1.12000 3.34000 19.36000 0.00000 -2.82000 0.00000 -1.77000 0.00000 0.00000 73.00000 SHO1_2VKN-23_12.PDB 1.34000 -46.72000 -23.30000 -73.69000 -3.81000 92.42000 -94.18000 8.60000 44.09000 98.08000 0.00000 0.00000 1.12000 3.66000 19.63000 0.00000 -2.52000 0.00000 -2.42000 0.00000 0.00000 73.00000 SHO1_2VKN-23_13.PDB 1.51000 -46.08000 -22.09000 -73.24000 -3.12000 91.37000 -93.84000 7.11000 43.81000 97.59000 0.00000 0.00000 1.12000 3.57000 19.71000 0.00000 -2.32000 0.00000 -2.38000 0.00000 0.00000 73.00000 SHO1_2VKN-23_14.PDB 3.50000 -45.39000 -22.82000 -74.30000 -2.80000 91.87000 -95.34000 9.62000 44.26000 99.03000 0.00000 0.00000 1.12000 3.52000 19.82000 0.00000 -2.95000 0.00000 -2.33000 0.00000 0.00000 73.00000 SHO1_2VKN-23_15.PDB 2.56000 -45.34000 -21.35000 -74.79000 -3.13000 92.05000 -95.92000 10.03000 43.44000 98.17000 0.00000 0.00000 1.12000 3.28000 19.80000 0.00000 -2.68000 0.00000 -2.32000 0.00000 0.00000 73.00000 SHO1_2VKN-23_16.PDB 0.93000 -47.33000 -25.08000 -75.14000 -3.71000 94.23000 -95.78000 9.00000 46.13000 99.17000 0.00000 0.00000 1.12000 3.50000 19.92000 0.00000 -3.08000 0.00000 -2.12000 0.00000 0.00000 73.00000 SHO1_2VKN-23_17.PDB 2.35000 -45.19000 -21.67000 -74.46000 -3.34000 92.80000 -95.45000 8.83000 43.04000 98.17000 0.00000 0.00000 1.12000 3.56000 19.71000 0.00000 -2.41000 0.00000 -2.64000 0.00000 0.00000 73.00000 SHO1_2VKN-23_18.PDB 2.28000 -46.34000 -22.29000 -74.06000 -2.93000 91.78000 -94.81000 9.62000 43.95000 97.40000 0.00000 0.00000 1.12000 3.47000 19.69000 0.00000 -2.66000 0.00000 -1.99000 0.00000 0.00000 73.00000 SHO1_2VKN-23_19.PDB 1.64000 -46.81000 -24.55000 -74.55000 -4.07000 93.57000 -94.88000 9.16000 45.95000 98.04000 0.00000 0.00000 1.12000 3.70000 19.72000 0.00000 -2.79000 0.00000 -2.24000 0.00000 0.00000 73.00000 SHO1_2VKN-23_20.PDB 1.47000 -46.36000 -24.04000 -74.15000 -3.82000 93.88000 -94.07000 9.19000 43.71000 99.11000 0.00000 0.00000 1.12000 2.96000 19.69000 0.00000 -3.59000 0.00000 -2.46000 0.00000 0.00000 73.00000 SHO1_2VKN-23_21.PDB 2.37000 -46.34000 -22.19000 -74.21000 -3.80000 92.29000 -95.04000 9.53000 44.12000 98.43000 0.00000 0.00000 1.12000 3.47000 19.70000 0.00000 -2.74000 0.00000 -2.29000 0.00000 0.00000 73.00000 SHO1_2VKN-23_22.PDB 1.02000 -47.00000 -24.69000 -73.95000 -3.79000 92.45000 -94.50000 9.68000 45.55000 97.48000 0.00000 0.00000 1.12000 3.75000 19.75000 0.00000 -2.96000 0.00000 -2.12000 0.00000 0.00000 73.00000 SHO1_2VKN-23_23.PDB 2.42000 -45.59000 -22.37000 -73.65000 -2.88000 91.23000 -94.34000 9.27000 43.07000 97.58000 0.00000 0.00000 1.12000 3.59000 19.58000 0.00000 -2.60000 0.00000 -2.00000 0.00000 0.00000 73.00000 SHO1_2VKN-23_24.PDB 2.20000 -45.73000 -23.46000 -74.34000 -3.50000 92.54000 -94.92000 9.52000 44.80000 97.81000 0.00000 0.00000 1.12000 3.39000 19.75000 0.00000 -2.80000 0.00000 -2.23000 0.00000 0.00000 73.00000 SHO1_2VKN-23_25.PDB 2.47000 -46.51000 -20.51000 -73.77000 -3.24000 92.37000 -94.25000 7.20000 43.67000 97.82000 0.00000 0.00000 1.12000 3.59000 19.75000 0.00000 -2.77000 0.00000 -2.24000 0.00000 0.00000 73.00000 SHO1_2VKN-23_26.PDB 2.58000 -45.19000 -20.86000 -74.63000 -2.37000 91.48000 -95.93000 8.83000 43.10000 98.39000 0.00000 0.00000 1.12000 3.21000 19.72000 0.00000 -2.51000 0.00000 -2.06000 0.00000 0.00000 73.00000 SHO1_2VKN-23_27.PDB 2.12000 -46.17000 -23.59000 -73.66000 -3.26000 92.20000 -94.22000 7.81000 43.95000 98.44000 0.00000 0.00000 1.12000 4.04000 19.72000 0.00000 -2.24000 0.00000 -2.30000 0.00000 0.00000 73.00000 SHO1_2VKN-23_28.PDB 1.89000 -46.03000 -22.52000 -75.06000 -3.65000 93.63000 -96.17000 8.71000 44.08000 98.82000 0.00000 0.00000 1.12000 3.46000 19.80000 0.00000 -2.11000 0.00000 -2.39000 0.00000 0.00000 73.00000 SHO1_2VKN-23_29.PDB 3.08000 -45.12000 -21.22000 -74.37000 -3.35000 91.99000 -95.17000 10.26000 43.21000 98.46000 0.00000 0.00000 1.12000 2.80000 19.56000 0.00000 -3.31000 0.00000 -2.23000 0.00000 0.00000 73.00000 SHO1_2VKN-23_30.PDB 2.72000 -45.93000 -22.04000 -74.59000 -3.23000 92.81000 -95.45000 9.94000 44.42000 96.90000 0.00000 0.00000 1.12000 3.45000 19.68000 0.00000 -2.78000 0.00000 -1.91000 0.00000 0.00000 73.00000