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-25_1.PDB -4.21000 -48.06000 -24.44000 -76.66000 -3.52000 95.70000 -97.82000 7.23000 47.15000 98.71000 0.00000 0.00000 1.12000 2.82000 19.00000 0.00000 -3.03000 0.00000 -3.43000 0.00000 0.00000 75.00000 SHO1_2VKN-25_2.PDB -3.87000 -48.96000 -25.11000 -78.46000 -3.83000 99.52000 -99.14000 7.14000 48.17000 99.31000 0.00000 0.00000 1.12000 2.73000 19.29000 0.00000 -3.10000 0.00000 -3.27000 0.00000 0.00000 75.00000 SHO1_2VKN-25_3.PDB -3.65000 -48.03000 -25.08000 -77.23000 -3.37000 97.58000 -97.94000 6.98000 46.83000 98.72000 0.00000 0.00000 1.12000 2.80000 18.98000 0.00000 -3.30000 0.00000 -2.74000 0.00000 0.00000 75.00000 SHO1_2VKN-25_4.PDB -1.54000 -48.80000 -26.18000 -76.92000 -3.50000 99.22000 -97.32000 7.33000 47.10000 99.18000 0.00000 0.00000 1.12000 2.85000 18.98000 0.00000 -2.64000 0.00000 -3.00000 0.00000 0.00000 75.00000 SHO1_2VKN-25_5.PDB -4.25000 -48.12000 -24.47000 -77.47000 -3.43000 97.24000 -98.50000 6.97000 46.78000 98.69000 0.00000 0.00000 1.12000 2.63000 19.23000 0.00000 -2.96000 0.00000 -2.73000 0.00000 0.00000 75.00000 SHO1_2VKN-25_6.PDB -3.18000 -48.40000 -24.85000 -77.31000 -3.34000 97.65000 -98.24000 7.31000 47.52000 98.63000 0.00000 0.00000 1.12000 2.63000 19.09000 0.00000 -3.23000 0.00000 -2.67000 0.00000 0.00000 75.00000 SHO1_2VKN-25_7.PDB -2.50000 -47.27000 -23.87000 -77.49000 -3.56000 97.39000 -98.30000 7.73000 45.98000 98.36000 0.00000 0.00000 1.12000 2.80000 19.29000 0.00000 -2.55000 0.00000 -2.85000 0.00000 0.00000 75.00000 SHO1_2VKN-25_8.PDB -3.88000 -47.59000 -24.70000 -77.80000 -2.98000 97.72000 -98.59000 6.81000 46.96000 98.41000 0.00000 0.00000 1.12000 2.75000 19.13000 0.00000 -3.16000 0.00000 -2.84000 0.00000 0.00000 75.00000 SHO1_2VKN-25_9.PDB -3.51000 -48.65000 -25.07000 -77.88000 -4.18000 99.23000 -98.35000 7.25000 47.78000 98.84000 0.00000 0.00000 1.12000 2.61000 19.30000 0.00000 -3.02000 0.00000 -3.17000 0.00000 0.00000 75.00000 SHO1_2VKN-25_10.PDB -1.91000 -48.34000 -24.57000 -77.36000 -3.52000 98.00000 -98.02000 7.43000 47.41000 98.96000 0.00000 0.00000 1.12000 2.68000 19.04000 0.00000 -2.87000 0.00000 -2.83000 0.00000 0.00000 75.00000 SHO1_2VKN-25_11.PDB -3.05000 -48.36000 -24.69000 -77.33000 -3.99000 98.16000 -97.86000 7.17000 47.60000 99.19000 0.00000 0.00000 1.12000 2.73000 19.11000 0.00000 -3.50000 0.00000 -3.29000 0.00000 0.00000 75.00000 SHO1_2VKN-25_12.PDB -3.25000 -48.06000 -24.79000 -77.45000 -4.66000 98.38000 -98.08000 7.52000 47.61000 98.81000 0.00000 0.00000 1.12000 3.23000 19.06000 0.00000 -3.33000 0.00000 -3.55000 0.00000 0.00000 75.00000 SHO1_2VKN-25_13.PDB -3.09000 -49.12000 -26.38000 -77.57000 -4.51000 99.75000 -97.78000 7.10000 48.76000 100.08000 0.00000 0.00000 1.12000 2.93000 19.19000 0.00000 -4.07000 0.00000 -3.38000 0.00000 0.00000 75.00000 SHO1_2VKN-25_14.PDB -2.70000 -48.35000 -25.53000 -76.54000 -3.47000 97.18000 -97.40000 7.37000 46.92000 98.60000 0.00000 0.00000 1.12000 3.10000 18.96000 0.00000 -2.79000 0.00000 -2.93000 0.00000 0.00000 75.00000 SHO1_2VKN-25_15.PDB -0.92000 -49.69000 -27.86000 -77.70000 -3.92000 101.19000 -97.41000 7.27000 48.07000 100.30000 0.00000 0.00000 1.12000 4.16000 19.04000 0.00000 -3.33000 0.00000 -3.12000 0.00000 0.00000 75.00000 SHO1_2VKN-25_16.PDB -3.37000 -48.82000 -25.29000 -76.98000 -3.49000 97.87000 -97.51000 6.95000 47.24000 98.70000 0.00000 0.00000 1.12000 2.89000 19.03000 0.00000 -3.40000 0.00000 -2.65000 0.00000 0.00000 75.00000 SHO1_2VKN-25_17.PDB -1.78000 -48.85000 -25.03000 -76.85000 -3.36000 97.81000 -97.59000 7.36000 47.31000 98.92000 0.00000 0.00000 1.12000 2.84000 18.99000 0.00000 -3.08000 0.00000 -2.40000 0.00000 0.00000 75.00000 SHO1_2VKN-25_18.PDB -2.99000 -46.62000 -22.85000 -77.18000 -4.03000 97.09000 -97.97000 7.20000 46.32000 97.97000 0.00000 0.00000 1.12000 2.67000 18.99000 0.00000 -3.52000 0.00000 -3.19000 0.00000 0.00000 75.00000 SHO1_2VKN-25_19.PDB -2.26000 -47.52000 -24.15000 -76.78000 -3.61000 97.04000 -97.38000 7.21000 46.77000 98.30000 0.00000 0.00000 1.12000 2.81000 18.93000 0.00000 -3.16000 0.00000 -2.89000 0.00000 0.00000 75.00000 SHO1_2VKN-25_20.PDB -1.43000 -48.04000 -24.66000 -76.69000 -3.26000 97.93000 -97.17000 7.21000 46.48000 98.57000 0.00000 0.00000 1.12000 2.73000 18.99000 0.00000 -3.09000 0.00000 -2.58000 0.00000 0.00000 75.00000 SHO1_2VKN-25_21.PDB -2.82000 -48.94000 -25.29000 -76.80000 -4.03000 98.31000 -97.21000 7.07000 47.53000 99.22000 0.00000 0.00000 1.12000 2.75000 19.03000 0.00000 -3.48000 0.00000 -3.09000 0.00000 0.00000 75.00000 SHO1_2VKN-25_22.PDB -3.20000 -49.30000 -25.72000 -77.06000 -4.20000 98.83000 -97.31000 7.06000 47.96000 99.50000 0.00000 0.00000 1.12000 2.94000 19.01000 0.00000 -3.80000 0.00000 -3.24000 0.00000 0.00000 75.00000 SHO1_2VKN-25_23.PDB -3.17000 -48.97000 -25.57000 -78.18000 -4.58000 99.70000 -98.45000 7.23000 48.52000 100.22000 0.00000 0.00000 1.12000 2.76000 19.28000 0.00000 -3.42000 0.00000 -3.55000 0.00000 0.00000 75.00000 SHO1_2VKN-25_24.PDB -1.37000 -46.65000 -23.37000 -78.11000 -4.29000 98.57000 -98.65000 7.28000 47.05000 99.48000 0.00000 0.00000 1.12000 3.03000 19.13000 0.00000 -3.26000 0.00000 -3.58000 0.00000 0.00000 75.00000 SHO1_2VKN-25_25.PDB -1.93000 -48.38000 -24.97000 -76.88000 -3.34000 97.15000 -97.85000 6.94000 47.00000 100.08000 0.00000 0.00000 1.12000 2.84000 19.07000 0.00000 -2.93000 0.00000 -2.70000 0.00000 0.00000 75.00000 SHO1_2VKN-25_26.PDB -1.05000 -47.20000 -25.49000 -77.11000 -3.64000 99.58000 -97.22000 7.25000 45.88000 98.83000 0.00000 0.00000 1.12000 3.19000 19.10000 0.00000 -3.50000 0.00000 -2.74000 0.00000 0.00000 75.00000 SHO1_2VKN-25_27.PDB -3.27000 -46.71000 -23.04000 -77.70000 -3.44000 97.03000 -98.84000 7.25000 46.21000 97.91000 0.00000 0.00000 1.12000 2.72000 19.11000 0.00000 -3.08000 0.00000 -2.70000 0.00000 0.00000 75.00000 SHO1_2VKN-25_28.PDB 0.59000 -48.21000 -25.89000 -77.27000 -4.25000 100.73000 -97.08000 7.56000 46.77000 99.38000 0.00000 0.00000 1.12000 3.18000 19.08000 0.00000 -2.70000 0.00000 -2.76000 0.00000 0.00000 75.00000 SHO1_2VKN-25_29.PDB -0.49000 -48.32000 -25.65000 -76.91000 -2.94000 98.52000 -97.45000 7.33000 46.92000 100.09000 0.00000 0.00000 1.12000 2.86000 19.09000 0.00000 -3.17000 0.00000 -2.87000 0.00000 0.00000 75.00000 SHO1_2VKN-25_30.PDB -2.49000 -48.06000 -25.41000 -76.92000 -3.00000 98.15000 -97.88000 7.24000 46.03000 98.59000 0.00000 0.00000 1.12000 2.60000 19.17000 0.00000 -2.56000 0.00000 -2.39000 0.00000 0.00000 75.00000