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-8_1.PDB -2.06000 -46.71000 -25.10000 -76.12000 -1.94000 94.34000 -97.82000 6.63000 44.92000 98.78000 0.00000 0.00000 1.12000 3.56000 18.19000 0.00000 -2.38000 0.00000 -1.34000 0.00000 0.00000 74.00000 SHO1_2VKN-8_2.PDB -0.90000 -47.59000 -23.61000 -75.77000 -1.54000 93.86000 -97.85000 5.22000 44.90000 100.11000 0.00000 0.00000 1.12000 4.36000 18.00000 0.00000 -3.00000 0.00000 -1.11000 0.00000 0.00000 74.00000 SHO1_2VKN-8_3.PDB -2.50000 -45.78000 -24.31000 -76.68000 -2.22000 94.92000 -98.39000 5.11000 44.79000 98.93000 0.00000 0.00000 1.12000 4.23000 18.20000 0.00000 -2.83000 0.00000 -1.39000 0.00000 0.00000 74.00000 SHO1_2VKN-8_4.PDB -1.54000 -45.77000 -23.36000 -75.99000 -2.10000 93.78000 -98.08000 5.09000 44.15000 98.82000 0.00000 0.00000 1.12000 4.75000 18.19000 0.00000 -2.62000 0.00000 -1.32000 0.00000 0.00000 74.00000 SHO1_2VKN-8_5.PDB -0.13000 -46.84000 -22.82000 -75.63000 -1.58000 93.31000 -97.84000 5.30000 43.93000 100.21000 0.00000 0.00000 1.12000 4.71000 18.08000 0.00000 -2.75000 0.00000 -1.25000 0.00000 0.00000 74.00000 SHO1_2VKN-8_6.PDB -1.73000 -46.70000 -25.18000 -76.13000 -2.11000 94.63000 -97.72000 6.50000 45.28000 98.96000 0.00000 0.00000 1.12000 3.51000 18.17000 0.00000 -2.55000 0.00000 -1.34000 0.00000 0.00000 74.00000 SHO1_2VKN-8_7.PDB -0.96000 -46.36000 -22.91000 -76.26000 -2.19000 93.78000 -98.69000 4.96000 44.28000 100.25000 0.00000 0.00000 1.12000 4.93000 18.21000 0.00000 -2.25000 0.00000 -1.62000 0.00000 0.00000 74.00000 SHO1_2VKN-8_8.PDB 0.21000 -45.73000 -21.56000 -76.73000 -1.35000 93.84000 -99.31000 6.48000 43.53000 100.05000 0.00000 0.00000 1.12000 3.69000 18.17000 0.00000 -2.69000 0.00000 -1.12000 0.00000 0.00000 74.00000 SHO1_2VKN-8_9.PDB -2.93000 -46.71000 -25.05000 -75.99000 -1.84000 93.90000 -97.80000 6.43000 45.06000 98.13000 0.00000 0.00000 1.12000 3.26000 18.14000 0.00000 -2.33000 0.00000 -1.11000 0.00000 0.00000 74.00000 SHO1_2VKN-8_10.PDB -3.03000 -46.73000 -25.49000 -75.48000 -2.10000 93.92000 -96.92000 6.49000 45.07000 97.75000 0.00000 0.00000 1.12000 3.23000 18.17000 0.00000 -2.53000 0.00000 -1.37000 0.00000 0.00000 74.00000 SHO1_2VKN-8_11.PDB -2.15000 -46.72000 -24.94000 -76.34000 -2.23000 94.63000 -98.09000 6.79000 45.12000 98.89000 0.00000 0.00000 1.12000 3.48000 18.28000 0.00000 -2.54000 0.00000 -1.33000 0.00000 0.00000 74.00000 SHO1_2VKN-8_12.PDB -0.21000 -45.75000 -22.44000 -76.17000 -1.88000 93.72000 -98.60000 6.33000 43.49000 99.88000 0.00000 0.00000 1.12000 3.78000 18.20000 0.00000 -2.20000 0.00000 -1.50000 0.00000 0.00000 74.00000 SHO1_2VKN-8_13.PDB -0.81000 -47.59000 -26.21000 -76.85000 -1.84000 95.74000 -98.32000 6.29000 46.34000 100.26000 0.00000 0.00000 1.12000 3.95000 18.33000 0.00000 -2.50000 0.00000 -1.19000 0.00000 0.00000 74.00000 SHO1_2VKN-8_14.PDB 0.87000 -46.67000 -25.08000 -76.73000 -1.98000 95.86000 -98.35000 6.20000 45.55000 100.33000 0.00000 0.00000 1.12000 4.42000 18.34000 0.00000 -2.45000 0.00000 -1.36000 0.00000 0.00000 74.00000 SHO1_2VKN-8_15.PDB 0.01000 -45.93000 -22.86000 -75.82000 -2.29000 94.25000 -97.57000 4.92000 44.05000 100.00000 0.00000 0.00000 1.12000 4.16000 18.14000 0.00000 -2.70000 0.00000 -1.33000 0.00000 0.00000 74.00000 SHO1_2VKN-8_16.PDB -0.68000 -47.35000 -24.09000 -75.96000 -2.36000 94.53000 -97.72000 5.23000 45.38000 100.27000 0.00000 0.00000 1.12000 4.40000 18.00000 0.00000 -2.78000 0.00000 -1.35000 0.00000 0.00000 74.00000 SHO1_2VKN-8_17.PDB -2.31000 -45.79000 -24.23000 -76.67000 -2.24000 94.94000 -98.43000 5.30000 44.75000 98.95000 0.00000 0.00000 1.12000 4.25000 18.25000 0.00000 -2.87000 0.00000 -1.40000 0.00000 0.00000 74.00000 SHO1_2VKN-8_18.PDB -2.84000 -45.82000 -24.29000 -76.57000 -2.51000 94.72000 -98.31000 6.36000 44.60000 98.97000 0.00000 0.00000 1.12000 3.32000 18.15000 0.00000 -3.04000 0.00000 -1.41000 0.00000 0.00000 74.00000 SHO1_2VKN-8_19.PDB -2.58000 -46.11000 -23.78000 -75.95000 -1.72000 93.70000 -97.84000 6.55000 43.76000 98.02000 0.00000 0.00000 1.12000 3.41000 18.13000 0.00000 -2.44000 0.00000 -1.31000 0.00000 0.00000 74.00000 SHO1_2VKN-8_20.PDB -0.12000 -46.64000 -24.95000 -76.92000 -2.20000 95.64000 -98.74000 6.84000 45.94000 99.86000 0.00000 0.00000 1.12000 3.67000 18.14000 0.00000 -2.58000 0.00000 -1.16000 0.00000 0.00000 74.00000 SHO1_2VKN-8_21.PDB -0.20000 -46.69000 -22.60000 -75.46000 -1.67000 93.32000 -97.36000 5.82000 44.08000 98.70000 0.00000 0.00000 1.12000 4.23000 18.15000 0.00000 -2.37000 0.00000 -1.33000 0.00000 0.00000 74.00000 SHO1_2VKN-8_22.PDB -1.09000 -46.86000 -22.76000 -76.02000 -1.65000 93.17000 -98.52000 6.82000 44.21000 99.65000 0.00000 0.00000 1.12000 3.41000 18.08000 0.00000 -2.59000 0.00000 -1.06000 0.00000 0.00000 74.00000 SHO1_2VKN-8_23.PDB -3.07000 -45.85000 -23.38000 -76.15000 -1.45000 93.24000 -98.27000 5.08000 43.66000 98.03000 0.00000 0.00000 1.12000 4.60000 18.23000 0.00000 -2.71000 0.00000 -0.99000 0.00000 0.00000 74.00000 SHO1_2VKN-8_24.PDB -2.88000 -45.77000 -24.14000 -76.26000 -1.75000 93.88000 -98.24000 5.10000 44.53000 98.04000 0.00000 0.00000 1.12000 4.15000 18.20000 0.00000 -2.43000 0.00000 -1.10000 0.00000 0.00000 74.00000 SHO1_2VKN-8_25.PDB -1.52000 -45.88000 -24.01000 -76.35000 -2.15000 94.17000 -98.34000 6.39000 44.58000 98.82000 0.00000 0.00000 1.12000 3.74000 18.24000 0.00000 -2.37000 0.00000 -1.24000 0.00000 0.00000 74.00000 SHO1_2VKN-8_26.PDB -1.26000 -45.81000 -24.22000 -75.90000 -2.25000 94.07000 -97.65000 4.98000 44.50000 98.71000 0.00000 0.00000 1.12000 4.80000 18.21000 0.00000 -2.27000 0.00000 -1.33000 0.00000 0.00000 74.00000 SHO1_2VKN-8_27.PDB -3.14000 -45.83000 -24.30000 -75.94000 -2.49000 94.16000 -97.51000 6.38000 44.33000 97.75000 0.00000 0.00000 1.12000 3.45000 18.13000 0.00000 -2.83000 0.00000 -1.46000 0.00000 0.00000 74.00000 SHO1_2VKN-8_28.PDB -0.78000 -47.18000 -23.92000 -76.76000 -2.32000 95.23000 -98.69000 6.50000 45.01000 101.02000 0.00000 0.00000 1.12000 3.38000 18.20000 0.00000 -2.83000 0.00000 -1.34000 0.00000 0.00000 74.00000 SHO1_2VKN-8_29.PDB 0.91000 -47.15000 -23.84000 -76.45000 -2.45000 95.57000 -97.94000 5.19000 45.83000 101.17000 0.00000 0.00000 1.12000 4.35000 18.21000 0.00000 -2.99000 0.00000 -1.50000 0.00000 0.00000 74.00000 SHO1_2VKN-8_30.PDB -0.87000 -46.73000 -24.17000 -75.60000 -1.77000 94.60000 -96.81000 5.43000 44.63000 98.50000 0.00000 0.00000 1.12000 3.76000 18.19000 0.00000 -2.58000 0.00000 -1.26000 0.00000 0.00000 74.00000