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-29_1.PDB -3.21000 -48.59000 -27.56000 -77.64000 -5.13000 99.75000 -98.00000 7.20000 47.41000 101.79000 0.00000 0.00000 1.12000 3.12000 19.63000 0.00000 -3.31000 0.00000 -3.36000 0.00000 0.00000 76.00000 SHO1_2VKN-29_2.PDB -6.72000 -49.47000 -30.51000 -79.65000 -5.15000 104.17000 -99.74000 6.96000 48.74000 100.48000 0.00000 0.00000 1.12000 3.54000 19.66000 0.00000 -3.09000 0.00000 -4.13000 0.00000 0.00000 76.00000 SHO1_2VKN-29_3.PDB -6.90000 -50.01000 -30.69000 -78.41000 -6.69000 102.38000 -97.93000 6.74000 48.61000 102.36000 0.00000 0.00000 1.12000 3.55000 19.64000 0.00000 -3.44000 0.00000 -4.49000 0.00000 0.00000 76.00000 SHO1_2VKN-29_4.PDB -5.43000 -49.63000 -30.58000 -77.82000 -5.48000 102.08000 -98.30000 6.98000 48.06000 100.87000 0.00000 0.00000 1.12000 3.02000 19.46000 0.00000 -2.37000 0.00000 -3.38000 0.00000 0.00000 76.00000 SHO1_2VKN-29_5.PDB -5.30000 -50.64000 -30.64000 -78.68000 -4.48000 102.80000 -98.57000 6.92000 48.40000 101.68000 0.00000 0.00000 1.12000 4.07000 19.73000 0.00000 -3.74000 0.00000 -3.55000 0.00000 0.00000 76.00000 SHO1_2VKN-29_6.PDB -5.78000 -49.74000 -30.75000 -79.37000 -5.54000 103.98000 -99.16000 7.86000 48.53000 101.58000 0.00000 0.00000 1.12000 3.05000 19.63000 0.00000 -3.27000 0.00000 -4.07000 0.00000 0.00000 76.00000 SHO1_2VKN-29_7.PDB -1.36000 -49.32000 -25.63000 -75.71000 -3.18000 97.24000 -96.30000 6.77000 45.82000 101.39000 0.00000 0.00000 1.12000 3.08000 19.29000 0.00000 -3.29000 0.00000 -3.38000 0.00000 0.00000 76.00000 SHO1_2VKN-29_8.PDB -2.99000 -46.90000 -24.60000 -77.33000 -4.43000 97.45000 -98.04000 7.03000 45.55000 100.29000 0.00000 0.00000 1.12000 3.21000 19.52000 0.00000 -2.71000 0.00000 -3.62000 0.00000 0.00000 76.00000 SHO1_2VKN-29_9.PDB -2.69000 -47.68000 -25.70000 -75.74000 -3.23000 96.13000 -96.50000 6.97000 45.74000 100.05000 0.00000 0.00000 1.12000 2.75000 19.34000 0.00000 -3.44000 0.00000 -3.16000 0.00000 0.00000 76.00000 SHO1_2VKN-29_10.PDB -3.11000 -50.79000 -27.52000 -76.54000 -3.34000 99.62000 -96.49000 6.68000 46.68000 101.95000 0.00000 0.00000 1.12000 3.11000 19.53000 0.00000 -4.12000 0.00000 -3.48000 0.00000 0.00000 76.00000 SHO1_2VKN-29_11.PDB -1.59000 -46.83000 -24.64000 -76.76000 -2.18000 96.77000 -97.86000 7.03000 44.28000 99.97000 0.00000 0.00000 1.12000 3.09000 19.54000 0.00000 -2.98000 0.00000 -2.60000 0.00000 0.00000 76.00000 SHO1_2VKN-29_12.PDB -4.89000 -49.28000 -30.15000 -79.38000 -5.07000 102.37000 -99.73000 7.89000 50.18000 102.34000 0.00000 0.00000 1.12000 3.29000 19.81000 0.00000 -4.69000 0.00000 -3.77000 0.00000 0.00000 76.00000 SHO1_2VKN-29_13.PDB -2.96000 -49.04000 -26.27000 -77.55000 -4.89000 99.86000 -97.71000 6.81000 47.24000 101.35000 0.00000 0.00000 1.12000 2.89000 19.37000 0.00000 -3.35000 0.00000 -3.41000 0.00000 0.00000 76.00000 SHO1_2VKN-29_14.PDB -5.55000 -48.55000 -28.39000 -77.35000 -5.39000 99.27000 -97.69000 8.01000 47.04000 100.94000 0.00000 0.00000 1.12000 2.81000 19.37000 0.00000 -3.33000 0.00000 -4.04000 0.00000 0.00000 76.00000 SHO1_2VKN-29_15.PDB -4.03000 -48.37000 -29.17000 -77.84000 -5.59000 100.80000 -97.64000 8.54000 47.57000 100.49000 0.00000 0.00000 1.12000 3.11000 19.41000 0.00000 -2.83000 0.00000 -4.22000 0.00000 0.00000 76.00000 SHO1_2VKN-29_16.PDB -5.13000 -50.18000 -29.73000 -78.88000 -5.46000 102.83000 -98.76000 6.88000 49.20000 102.50000 0.00000 0.00000 1.12000 3.30000 19.84000 0.00000 -3.85000 0.00000 -4.08000 0.00000 0.00000 76.00000 SHO1_2VKN-29_17.PDB -0.69000 -48.39000 -23.73000 -77.76000 -4.18000 98.98000 -98.90000 6.76000 46.41000 102.47000 0.00000 0.00000 1.12000 3.21000 19.61000 0.00000 -3.45000 0.00000 -3.23000 0.00000 0.00000 76.00000 SHO1_2VKN-29_18.PDB -3.23000 -49.15000 -29.81000 -79.51000 -5.05000 102.90000 -99.74000 8.33000 49.14000 102.39000 0.00000 0.00000 1.12000 3.92000 19.87000 0.00000 -3.96000 0.00000 -3.82000 0.00000 0.00000 76.00000 SHO1_2VKN-29_19.PDB -6.82000 -46.47000 -27.44000 -79.19000 -6.09000 100.68000 -99.66000 7.51000 47.28000 99.99000 0.00000 0.00000 1.12000 3.62000 19.60000 0.00000 -3.95000 0.00000 -4.22000 0.00000 0.00000 76.00000 SHO1_2VKN-29_20.PDB -5.01000 -48.59000 -29.75000 -77.97000 -5.92000 101.26000 -97.73000 8.90000 47.90000 100.75000 0.00000 0.00000 1.12000 3.28000 19.29000 0.00000 -3.66000 0.00000 -4.59000 0.00000 0.00000 76.00000 SHO1_2VKN-29_21.PDB -6.22000 -47.56000 -28.78000 -78.17000 -5.97000 100.32000 -98.23000 7.55000 47.22000 100.66000 0.00000 0.00000 1.12000 3.23000 19.40000 0.00000 -2.95000 0.00000 -4.65000 0.00000 0.00000 76.00000 SHO1_2VKN-29_22.PDB -2.48000 -49.40000 -27.46000 -78.61000 -5.16000 101.78000 -98.80000 7.21000 47.80000 102.81000 0.00000 0.00000 1.12000 3.77000 19.60000 0.00000 -3.29000 0.00000 -4.26000 0.00000 0.00000 76.00000 SHO1_2VKN-29_23.PDB -7.63000 -49.98000 -33.07000 -78.89000 -7.32000 103.62000 -98.29000 6.74000 50.47000 102.91000 0.00000 0.00000 1.12000 4.21000 19.78000 0.00000 -3.91000 0.00000 -5.24000 0.00000 0.00000 76.00000 SHO1_2VKN-29_24.PDB -4.16000 -49.69000 -29.57000 -79.23000 -5.84000 102.26000 -99.51000 8.13000 49.98000 102.34000 0.00000 0.00000 1.12000 3.41000 19.59000 0.00000 -3.12000 0.00000 -4.43000 0.00000 0.00000 76.00000 SHO1_2VKN-29_25.PDB -8.05000 -49.41000 -30.54000 -77.51000 -6.93000 100.88000 -96.98000 8.06000 48.45000 100.54000 0.00000 0.00000 1.12000 3.38000 19.31000 0.00000 -4.05000 0.00000 -5.05000 0.00000 0.00000 76.00000 SHO1_2VKN-29_26.PDB -6.59000 -47.70000 -30.18000 -79.46000 -6.44000 102.03000 -99.52000 8.08000 49.03000 101.54000 0.00000 0.00000 1.12000 3.93000 19.76000 0.00000 -4.38000 0.00000 -4.66000 0.00000 0.00000 76.00000 SHO1_2VKN-29_27.PDB -2.85000 -48.42000 -28.48000 -78.12000 -3.96000 100.63000 -98.36000 6.79000 47.65000 101.03000 0.00000 0.00000 1.12000 3.62000 19.66000 0.00000 -3.14000 0.00000 -3.22000 0.00000 0.00000 76.00000 SHO1_2VKN-29_28.PDB -3.95000 -47.54000 -26.80000 -77.67000 -3.54000 98.45000 -98.62000 7.81000 46.49000 99.82000 0.00000 0.00000 1.12000 3.09000 19.51000 0.00000 -3.30000 0.00000 -3.26000 0.00000 0.00000 76.00000 SHO1_2VKN-29_29.PDB -5.27000 -47.63000 -28.28000 -78.34000 -5.81000 100.92000 -98.47000 8.13000 47.26000 100.98000 0.00000 0.00000 1.12000 3.01000 19.42000 0.00000 -3.91000 0.00000 -4.26000 0.00000 0.00000 76.00000 SHO1_2VKN-29_30.PDB -2.66000 -49.36000 -29.28000 -78.78000 -4.32000 101.90000 -99.09000 7.78000 48.64000 102.57000 0.00000 0.00000 1.12000 3.51000 19.50000 0.00000 -3.96000 0.00000 -3.39000 0.00000 0.00000 76.00000