name Intraclash total energy Backbone Hbond 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 3.35605 -10.75000 -3.38000 -7.80000 -8.32000 -5.12000 17.17000 -9.06000 0.49000 6.18000 2.11000 0.00000 0.00000 0.00000 0.19000 1.04000 -0.25000 -0.53000 0.00000 -2.43000 0.00000 2.38000 108.00000 1SHA2_2.PDB 2.54028 -11.00000 -4.71000 -6.65000 -8.78000 -5.48000 18.02000 -9.57000 0.60000 5.98000 3.19000 0.00000 0.00000 0.00000 0.19000 1.02000 -0.26000 -0.90000 0.00000 -2.63000 0.00000 2.38000 108.00000 1SHA2_3.PDB 2.40911 -11.73000 -4.44000 -7.01000 -8.83000 -5.54000 18.07000 -9.60000 0.51000 6.03000 2.60000 0.00000 0.00000 0.00000 0.18000 1.03000 -0.27000 -0.72000 0.00000 -2.70000 0.00000 2.38000 108.00000 1SHA2_4.PDB 2.36802 -11.83000 -4.48000 -7.03000 -8.70000 -5.40000 17.66000 -9.50000 0.56000 5.81000 2.77000 0.00000 0.00000 0.00000 0.20000 1.04000 -0.28000 -1.00000 0.00000 -2.44000 0.00000 2.38000 108.00000 1SHA2_5.PDB 3.25288 -11.72000 -3.48000 -6.13000 -8.98000 -5.10000 16.98000 -10.21000 0.72000 5.40000 2.18000 0.00000 0.00000 0.00000 0.17000 1.16000 -0.26000 -0.74000 0.00000 -2.27000 0.00000 2.38000 108.00000 1SHA2_6.PDB 2.57132 -11.36000 -4.44000 -7.01000 -8.76000 -5.51000 18.16000 -9.46000 0.58000 6.01000 2.72000 0.00000 0.00000 0.00000 0.19000 1.05000 -0.27000 -0.89000 0.00000 -2.66000 0.00000 2.38000 108.00000 1SHA2_7.PDB 2.88621 -11.26000 -3.48000 -6.13000 -8.73000 -5.00000 16.46000 -9.91000 0.52000 5.16000 2.73000 0.00000 0.00000 0.00000 0.18000 1.11000 -0.24000 -0.69000 0.00000 -2.16000 0.00000 2.38000 108.00000 1SHA2_8.PDB 2.12053 -11.15000 -4.35000 -6.94000 -8.69000 -5.20000 18.11000 -9.36000 0.54000 5.86000 2.07000 0.00000 0.00000 0.00000 0.17000 1.02000 -0.25000 -0.88000 0.00000 -2.22000 0.00000 2.38000 108.00000 1SHA2_9.PDB 2.95354 -11.53000 -4.43000 -7.01000 -8.71000 -5.24000 17.70000 -9.48000 0.50000 5.83000 2.65000 0.00000 0.00000 0.00000 0.19000 1.05000 -0.24000 -1.01000 0.00000 -2.28000 0.00000 2.38000 108.00000 1SHA2_10.PDB 2.16347 -11.58000 -4.44000 -7.01000 -8.78000 -5.17000 18.07000 -9.52000 0.51000 5.92000 2.08000 0.00000 0.00000 0.00000 0.18000 1.03000 -0.24000 -0.94000 0.00000 -2.24000 0.00000 2.38000 108.00000 1SHA2_11.PDB 2.23416 -11.28000 -4.44000 -7.01000 -8.67000 -5.19000 17.65000 -9.40000 0.53000 5.80000 2.65000 0.00000 0.00000 0.00000 0.18000 1.03000 -0.24000 -0.90000 0.00000 -2.23000 0.00000 2.38000 108.00000 1SHA2_12.PDB 1.70234 -11.25000 -4.42000 -5.38000 -8.73000 -5.06000 17.38000 -9.76000 0.46000 5.52000 1.88000 0.00000 0.00000 0.00000 0.05000 0.96000 -0.24000 -0.81000 0.00000 -2.13000 0.00000 2.38000 108.00000 1SHA2_13.PDB 2.85280 -10.21000 -3.39000 -6.13000 -8.18000 -4.92000 16.25000 -8.98000 0.52000 4.91000 2.56000 0.00000 0.00000 0.00000 0.18000 1.11000 -0.23000 -0.73000 0.00000 -2.09000 0.00000 2.38000 108.00000 1SHA2_14.PDB 1.90213 -8.39000 -4.49000 -7.01000 -7.79000 -4.90000 17.23000 -8.06000 0.45000 6.13000 2.91000 0.00000 0.00000 0.00000 0.06000 0.96000 -0.27000 -0.41000 0.00000 -2.22000 0.00000 2.38000 108.00000 1SHA2_15.PDB 2.23969 -11.44000 -4.45000 -7.01000 -8.78000 -5.06000 18.00000 -9.54000 0.54000 5.87000 2.05000 0.00000 0.00000 0.00000 0.19000 1.03000 -0.24000 -0.93000 0.00000 -2.07000 0.00000 2.38000 108.00000 1SHA2_16.PDB 2.45307 -9.57000 -5.31000 -7.88000 -8.24000 -5.46000 18.37000 -8.50000 0.53000 6.46000 4.33000 0.00000 0.00000 0.00000 0.18000 0.95000 -0.29000 -1.16000 0.00000 -2.60000 0.00000 2.38000 108.00000 1SHA2_17.PDB 2.17797 -11.21000 -4.43000 -7.01000 -8.68000 -5.09000 17.70000 -9.40000 0.52000 5.72000 2.65000 0.00000 0.00000 0.00000 0.18000 1.01000 -0.24000 -1.02000 0.00000 -2.10000 0.00000 2.38000 108.00000 1SHA2_18.PDB 3.35198 -12.51000 -3.48000 -7.11000 -9.00000 -5.85000 16.90000 -10.17000 0.55000 6.83000 2.82000 0.00000 0.00000 0.00000 0.17000 1.09000 -0.25000 -0.68000 0.00000 -3.24000 0.00000 2.38000 108.00000 1SHA2_19.PDB 3.22393 -11.24000 -3.47000 -6.13000 -8.86000 -5.11000 16.81000 -10.06000 0.56000 5.35000 2.82000 0.00000 0.00000 0.00000 0.17000 1.07000 -0.25000 -0.71000 0.00000 -2.37000 0.00000 2.38000 108.00000 1SHA2_20.PDB 2.35198 -10.89000 -4.36000 -6.95000 -8.74000 -5.34000 18.18000 -9.37000 0.57000 5.98000 2.53000 0.00000 0.00000 0.00000 0.17000 1.02000 -0.25000 -0.85000 0.00000 -2.45000 0.00000 2.38000 108.00000 1SHA2_21.PDB 2.22765 -11.13000 -3.48000 -6.13000 -8.77000 -4.96000 16.55000 -9.96000 0.54000 5.28000 2.75000 0.00000 0.00000 0.00000 0.17000 1.05000 -0.25000 -0.62000 0.00000 -2.25000 0.00000 2.38000 108.00000 1SHA2_22.PDB 2.23660 -11.00000 -4.43000 -7.01000 -8.58000 -5.19000 17.87000 -9.24000 0.51000 5.69000 2.69000 0.00000 0.00000 0.00000 0.18000 0.96000 -0.24000 -1.04000 0.00000 -2.22000 0.00000 2.38000 108.00000 1SHA2_23.PDB 2.87837 -11.12000 -3.48000 -6.13000 -8.73000 -4.80000 16.53000 -9.94000 0.68000 5.29000 2.14000 0.00000 0.00000 0.00000 0.17000 0.95000 -0.23000 -0.66000 0.00000 -1.96000 0.00000 2.38000 108.00000 1SHA2_24.PDB 2.22719 -10.95000 -4.39000 -6.97000 -8.75000 -5.30000 18.02000 -9.49000 0.76000 5.91000 2.68000 0.00000 0.00000 0.00000 0.18000 1.02000 -0.24000 -0.99000 0.00000 -2.37000 0.00000 2.38000 108.00000 1SHA2_25.PDB 2.86940 -11.20000 -3.48000 -6.13000 -8.89000 -4.87000 16.48000 -10.13000 0.54000 5.31000 2.75000 0.00000 0.00000 0.00000 0.18000 1.10000 -0.23000 -0.69000 0.00000 -2.04000 0.00000 2.38000 108.00000 1SHA2_26.PDB 3.50614 -11.52000 -4.36000 -8.43000 -9.01000 -6.19000 18.79000 -9.52000 0.56000 7.78000 2.79000 0.00000 0.00000 0.00000 0.21000 1.15000 -0.24000 -0.67000 0.00000 -3.26000 0.00000 2.38000 108.00000 1SHA2_27.PDB 2.38653 -11.20000 -4.42000 -7.00000 -8.67000 -5.30000 18.07000 -9.37000 0.53000 5.86000 2.49000 0.00000 0.00000 0.00000 0.19000 0.97000 -0.24000 -0.98000 0.00000 -2.37000 0.00000 2.38000 108.00000 1SHA2_28.PDB 3.12230 -10.75000 -4.44000 -7.01000 -8.64000 -5.28000 18.02000 -9.28000 0.53000 5.81000 2.67000 0.00000 0.00000 0.00000 0.19000 1.11000 -0.24000 -0.75000 0.00000 -2.33000 0.00000 2.38000 108.00000 1SHA2_29.PDB 2.31918 -10.95000 -4.43000 -7.00000 -8.72000 -5.17000 17.99000 -9.41000 0.51000 5.75000 2.72000 0.00000 0.00000 0.00000 0.18000 1.02000 -0.24000 -0.98000 0.00000 -2.16000 0.00000 2.38000 108.00000 1SHA2_30.PDB 3.61815 -9.73000 -4.23000 -9.91000 -8.10000 -6.02000 18.40000 -8.19000 0.49000 8.24000 3.62000 0.00000 0.00000 0.00000 0.19000 1.08000 -0.26000 -0.63000 0.00000 -3.32000 0.00000 2.38000 108.00000