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 1SHA2_1.PDB 1.16000 -78.03000 -40.34000 -124.32000 -7.76000 171.17000 -151.30000 7.58000 70.37000 156.01000 0.00000 0.00000 0.00000 6.57000 54.90000 -0.80000 -5.56000 0.00000 -2.43000 0.00000 0.00000 108.00000 1SHA2_2.PDB 0.40000 -79.34000 -39.13000 -124.57000 -8.15000 171.87000 -151.52000 7.73000 70.12000 156.36000 0.00000 0.00000 0.00000 6.47000 54.85000 -0.82000 -5.98000 0.00000 -2.63000 0.00000 0.00000 108.00000 1SHA2_3.PDB -0.27000 -78.66000 -38.28000 -124.78000 -8.24000 171.35000 -151.72000 7.52000 69.88000 155.66000 0.00000 0.00000 0.00000 6.57000 54.89000 -0.82000 -6.08000 0.00000 -2.70000 0.00000 0.00000 108.00000 1SHA2_4.PDB -0.36000 -78.81000 -39.25000 -124.64000 -8.30000 171.92000 -151.48000 7.61000 70.01000 156.06000 0.00000 0.00000 0.00000 5.86000 54.91000 -0.80000 -6.10000 0.00000 -2.44000 0.00000 0.00000 108.00000 1SHA2_5.PDB 1.11000 -77.71000 -38.02000 -125.09000 -7.92000 171.28000 -152.49000 7.80000 69.64000 155.92000 0.00000 0.00000 0.00000 6.52000 55.05000 -0.80000 -5.76000 0.00000 -2.27000 0.00000 0.00000 108.00000 1SHA2_6.PDB -0.04000 -79.04000 -39.50000 -124.69000 -8.28000 172.10000 -151.58000 7.61000 70.17000 156.05000 0.00000 0.00000 0.00000 6.56000 54.89000 -0.83000 -5.94000 0.00000 -2.66000 0.00000 0.00000 108.00000 1SHA2_7.PDB 0.45000 -77.41000 -37.81000 -124.55000 -7.64000 170.13000 -151.81000 7.62000 69.20000 155.66000 0.00000 0.00000 0.00000 5.71000 55.05000 -0.78000 -5.70000 0.00000 -2.16000 0.00000 0.00000 108.00000 1SHA2_8.PDB 0.74000 -78.96000 -39.39000 -124.39000 -7.86000 171.90000 -151.15000 7.58000 69.80000 155.84000 0.00000 0.00000 0.00000 6.24000 54.87000 -0.81000 -5.86000 0.00000 -2.22000 0.00000 0.00000 108.00000 1SHA2_9.PDB -0.43000 -78.75000 -39.19000 -124.40000 -7.88000 171.49000 -151.21000 7.61000 69.64000 155.69000 0.00000 0.00000 0.00000 5.59000 54.91000 -0.79000 -5.94000 0.00000 -2.28000 0.00000 0.00000 108.00000 1SHA2_10.PDB 0.82000 -78.79000 -39.16000 -124.52000 -7.79000 172.02000 -151.31000 7.56000 69.79000 156.31000 0.00000 0.00000 0.00000 5.69000 54.87000 -0.80000 -5.95000 0.00000 -2.24000 0.00000 0.00000 108.00000 1SHA2_11.PDB 0.64000 -78.74000 -39.15000 -124.29000 -7.77000 171.24000 -151.00000 7.56000 69.65000 156.11000 0.00000 0.00000 0.00000 5.72000 54.89000 -0.79000 -5.67000 0.00000 -2.23000 0.00000 0.00000 108.00000 1SHA2_12.PDB -0.14000 -78.78000 -37.57000 -124.55000 -7.71000 171.30000 -151.79000 7.56000 69.44000 155.39000 0.00000 0.00000 0.00000 4.93000 54.83000 -0.80000 -5.43000 0.00000 -2.13000 0.00000 0.00000 108.00000 1SHA2_13.PDB 0.58000 -77.72000 -38.32000 -123.73000 -7.43000 169.66000 -150.55000 7.55000 68.68000 155.26000 0.00000 0.00000 0.00000 5.43000 54.99000 -0.78000 -5.39000 0.00000 -2.09000 0.00000 0.00000 108.00000 1SHA2_14.PDB 2.63000 -79.16000 -39.46000 -123.83000 -7.84000 171.13000 -150.49000 7.51000 70.57000 156.77000 0.00000 0.00000 0.00000 5.98000 54.88000 -0.83000 -5.51000 0.00000 -2.22000 0.00000 0.00000 108.00000 1SHA2_15.PDB 1.47000 -78.39000 -37.97000 -124.81000 -7.84000 171.69000 -151.66000 7.58000 69.42000 155.69000 0.00000 0.00000 0.00000 6.42000 54.94000 -0.78000 -5.82000 0.00000 -2.07000 0.00000 0.00000 108.00000 1SHA2_16.PDB 1.83000 -79.93000 -40.35000 -123.84000 -8.30000 172.04000 -150.13000 7.57000 70.61000 157.40000 0.00000 0.00000 0.00000 6.50000 54.79000 -0.84000 -6.31000 0.00000 -2.60000 0.00000 0.00000 108.00000 1SHA2_17.PDB 0.65000 -78.78000 -39.24000 -124.43000 -7.70000 171.45000 -151.25000 7.63000 69.54000 155.86000 0.00000 0.00000 0.00000 6.42000 54.86000 -0.79000 -5.96000 0.00000 -2.10000 0.00000 0.00000 108.00000 1SHA2_18.PDB 0.39000 -77.72000 -39.03000 -125.21000 -8.74000 171.74000 -152.36000 7.62000 71.02000 156.16000 0.00000 0.00000 0.00000 6.68000 54.98000 -0.79000 -5.74000 0.00000 -3.24000 0.00000 0.00000 108.00000 1SHA2_19.PDB 0.76000 -77.71000 -38.14000 -124.67000 -7.86000 170.64000 -151.93000 7.57000 69.48000 155.80000 0.00000 0.00000 0.00000 6.51000 54.96000 -0.79000 -5.77000 0.00000 -2.37000 0.00000 0.00000 108.00000 1SHA2_20.PDB 0.63000 -78.98000 -39.47000 -124.36000 -7.91000 171.90000 -150.99000 7.61000 69.86000 155.77000 0.00000 0.00000 0.00000 6.44000 54.87000 -0.80000 -6.00000 0.00000 -2.45000 0.00000 0.00000 108.00000 1SHA2_21.PDB 1.11000 -77.71000 -37.96000 -124.74000 -7.80000 170.59000 -152.00000 7.67000 69.37000 155.83000 0.00000 0.00000 0.00000 6.47000 54.93000 -0.79000 -5.59000 0.00000 -2.25000 0.00000 0.00000 108.00000 1SHA2_22.PDB -0.03000 -78.79000 -39.24000 -124.23000 -7.83000 171.52000 -150.96000 7.59000 69.51000 155.78000 0.00000 0.00000 0.00000 5.67000 54.81000 -0.80000 -6.03000 0.00000 -2.22000 0.00000 0.00000 108.00000 1SHA2_23.PDB 1.35000 -77.42000 -37.81000 -124.55000 -7.34000 170.49000 -151.79000 7.84000 69.14000 155.71000 0.00000 0.00000 0.00000 5.52000 54.84000 -0.77000 -5.71000 0.00000 -1.96000 0.00000 0.00000 108.00000 1SHA2_24.PDB 0.49000 -78.75000 -39.18000 -124.37000 -7.88000 171.82000 -151.11000 7.81000 69.75000 155.76000 0.00000 0.00000 0.00000 5.65000 54.87000 -0.79000 -5.83000 0.00000 -2.37000 0.00000 0.00000 108.00000 1SHA2_25.PDB 0.28000 -77.41000 -37.86000 -124.52000 -7.45000 170.07000 -151.78000 7.57000 69.10000 155.53000 0.00000 0.00000 0.00000 5.58000 55.01000 -0.77000 -5.75000 0.00000 -2.04000 0.00000 0.00000 108.00000 1SHA2_26.PDB 1.29000 -78.69000 -40.60000 -124.89000 -8.65000 172.97000 -151.33000 7.65000 71.67000 156.59000 0.00000 0.00000 0.00000 6.37000 55.05000 -0.79000 -5.74000 0.00000 -3.26000 0.00000 0.00000 108.00000 1SHA2_27.PDB -0.32000 -78.78000 -39.16000 -124.43000 -7.83000 171.83000 -151.20000 7.55000 69.75000 155.39000 0.00000 0.00000 0.00000 5.71000 54.81000 -0.79000 -5.99000 0.00000 -2.37000 0.00000 0.00000 108.00000 1SHA2_28.PDB 0.89000 -78.79000 -39.18000 -124.38000 -7.83000 171.76000 -151.09000 7.72000 69.68000 156.23000 0.00000 0.00000 0.00000 5.85000 54.97000 -0.79000 -5.97000 0.00000 -2.33000 0.00000 0.00000 108.00000 1SHA2_29.PDB -0.09000 -78.76000 -39.15000 -124.26000 -7.76000 171.46000 -151.03000 7.57000 69.57000 155.41000 0.00000 0.00000 0.00000 5.67000 54.87000 -0.79000 -5.87000 0.00000 -2.16000 0.00000 0.00000 108.00000 1SHA2_30.PDB 2.72000 -78.90000 -42.45000 -123.91000 -8.93000 172.62000 -149.89000 7.54000 72.57000 157.03000 0.00000 0.00000 0.00000 6.85000 54.95000 -0.82000 -5.67000 0.00000 -3.32000 0.00000 0.00000 108.00000