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 1A382_1.PDB 11.87069 -3.95000 -0.73000 -2.27000 -4.59000 -1.50000 5.81000 -6.44000 0.16000 4.81000 2.22000 0.00000 0.00000 0.00000 0.30000 0.16000 0.08000 -0.71000 0.00000 -1.10000 0.00000 2.38000 221.00000 1A382_2.PDB 10.73345 -4.41000 -1.49000 -4.22000 -3.10000 -1.29000 4.50000 -4.08000 0.86000 4.93000 1.24000 0.00000 0.00000 0.00000 0.07000 0.02000 0.07000 -0.89000 0.00000 -1.02000 0.00000 2.38000 221.00000 1A382_3.PDB 11.89973 -3.71000 -0.80000 -2.46000 -4.61000 -1.67000 5.99000 -6.11000 0.34000 4.90000 2.18000 0.00000 0.00000 0.00000 0.31000 0.16000 0.08000 -0.69000 0.00000 -1.18000 0.00000 2.38000 221.00000 1A382_4.PDB 10.79150 -4.79000 -1.41000 -3.92000 -3.05000 -1.31000 4.26000 -3.75000 0.34000 4.81000 1.17000 0.00000 0.00000 0.00000 0.06000 0.02000 0.07000 -1.04000 0.00000 -1.02000 0.00000 2.38000 221.00000 1A382_5.PDB 11.94302 -5.07000 -0.64000 -2.30000 -4.05000 -1.58000 4.90000 -5.87000 0.14000 4.18000 1.76000 0.00000 0.00000 0.00000 0.30000 0.16000 0.08000 -0.68000 0.00000 -1.30000 0.00000 2.38000 221.00000 1A382_6.PDB 10.87922 -4.91000 -1.44000 -3.07000 -3.11000 -1.61000 4.70000 -4.02000 0.68000 4.04000 1.12000 0.00000 0.00000 0.00000 0.07000 0.02000 0.08000 -0.99000 0.00000 -1.35000 0.00000 2.38000 221.00000 1A382_7.PDB 11.94449 -4.97000 -0.57000 -4.33000 -4.25000 -1.36000 5.29000 -6.02000 0.20000 6.06000 2.03000 0.00000 0.00000 0.00000 0.30000 0.16000 0.07000 -1.33000 0.00000 -1.06000 0.00000 2.38000 221.00000 1A382_8.PDB 11.50845 -4.35000 -0.85000 -2.51000 -3.99000 -1.56000 5.13000 -5.39000 0.26000 4.38000 1.86000 0.00000 0.00000 0.00000 0.27000 0.16000 0.08000 -0.74000 0.00000 -1.30000 0.00000 2.38000 221.00000 1A382_9.PDB 10.57086 -4.10000 -0.01000 -3.78000 -3.12000 -1.29000 4.04000 -4.21000 0.11000 4.80000 1.24000 0.00000 0.00000 0.00000 0.07000 0.02000 0.07000 -1.04000 0.00000 -0.98000 0.00000 2.38000 221.00000 1A382_10.PDB 10.80984 -4.83000 -1.28000 -2.94000 -3.12000 -1.57000 4.57000 -3.72000 0.49000 3.83000 1.31000 0.00000 0.00000 0.00000 0.05000 0.02000 0.08000 -1.24000 0.00000 -1.29000 0.00000 2.38000 221.00000 1A382_11.PDB 12.53222 -4.89000 -0.01000 -2.51000 -3.90000 -1.45000 4.21000 -5.87000 0.21000 4.47000 1.77000 0.00000 0.00000 0.00000 0.30000 0.16000 0.07000 -1.00000 0.00000 -1.18000 0.00000 2.38000 221.00000 1A382_12.PDB 13.01142 -5.61000 -0.80000 -4.58000 -4.70000 -1.55000 5.47000 -6.39000 0.44000 6.65000 2.15000 0.00000 0.00000 0.00000 0.33000 0.16000 0.07000 -1.36000 0.00000 -1.33000 0.00000 2.38000 221.00000 1A382_13.PDB 12.46465 -5.20000 -0.85000 -4.58000 -4.57000 -1.40000 5.73000 -6.50000 0.25000 6.37000 2.21000 0.00000 0.00000 0.00000 0.30000 0.16000 0.07000 -1.12000 0.00000 -1.10000 0.00000 2.38000 221.00000 1A382_14.PDB 10.71501 -3.07000 -0.89000 -2.44000 -3.41000 -1.53000 5.09000 -4.49000 0.07000 4.30000 1.69000 0.00000 0.00000 0.00000 0.07000 0.02000 0.08000 -0.43000 0.00000 -1.18000 0.00000 2.38000 221.00000 1A382_15.PDB 10.74915 -4.17000 -0.89000 -4.64000 -3.25000 -1.38000 4.62000 -4.01000 0.30000 5.70000 1.36000 0.00000 0.00000 0.00000 0.06000 0.02000 0.07000 -1.03000 0.00000 -1.09000 0.00000 2.38000 221.00000 1A382_16.PDB 10.64620 -4.03000 -0.89000 -4.16000 -3.63000 -1.22000 5.31000 -4.74000 0.08000 5.44000 1.74000 0.00000 0.00000 0.00000 0.07000 0.02000 0.08000 -1.13000 0.00000 -0.96000 0.00000 2.38000 221.00000 1A382_17.PDB 12.09057 -3.09000 -0.42000 -2.05000 -4.35000 -1.53000 5.41000 -5.84000 0.30000 4.37000 2.14000 0.00000 0.00000 0.00000 0.28000 0.16000 0.08000 -0.31000 0.00000 -1.16000 0.00000 2.38000 221.00000 1A382_18.PDB 11.78657 -5.71000 -0.76000 -3.65000 -4.51000 -1.70000 5.82000 -6.28000 0.19000 5.48000 2.14000 0.00000 0.00000 0.00000 0.25000 0.18000 0.08000 -1.34000 0.00000 -1.43000 0.00000 2.38000 221.00000 1A382_19.PDB 12.42577 -3.70000 -0.62000 -2.34000 -4.45000 -1.42000 5.42000 -6.04000 0.31000 4.61000 2.12000 0.00000 0.00000 0.00000 0.29000 0.16000 0.08000 -0.56000 0.00000 -1.10000 0.00000 2.38000 221.00000 1A382_20.PDB 12.49100 -5.00000 -1.27000 -3.72000 -4.71000 -1.34000 5.87000 -6.68000 0.30000 5.53000 2.77000 0.00000 0.00000 0.00000 0.30000 0.22000 0.07000 -1.08000 0.00000 -1.04000 0.00000 2.38000 221.00000 1A382_21.PDB 12.21689 -4.36000 -1.39000 -4.16000 -4.07000 -1.17000 5.43000 -5.31000 0.17000 5.28000 1.99000 0.00000 0.00000 0.00000 0.35000 0.21000 0.07000 -0.54000 0.00000 -1.02000 0.00000 2.38000 221.00000 1A382_22.PDB 10.65949 -2.75000 -0.67000 -2.27000 -3.25000 -1.43000 4.64000 -4.04000 0.26000 4.06000 1.51000 0.00000 0.00000 0.00000 0.06000 0.02000 0.08000 -0.53000 0.00000 -1.17000 0.00000 2.38000 221.00000 1A382_23.PDB 10.61304 -4.91000 -0.72000 -3.62000 -3.36000 -1.69000 4.84000 -4.38000 0.10000 4.79000 1.36000 0.00000 0.00000 0.00000 0.06000 0.02000 0.08000 -0.96000 0.00000 -1.43000 0.00000 2.38000 221.00000 1A382_24.PDB 13.39054 -5.43000 -0.70000 -3.19000 -4.62000 -1.35000 4.98000 -6.94000 0.35000 5.50000 1.92000 0.00000 0.00000 0.00000 0.44000 0.50000 0.07000 -0.86000 0.00000 -1.03000 0.00000 2.38000 221.00000 1A382_25.PDB 11.80172 -4.10000 -0.87000 -3.38000 -3.89000 -1.31000 4.75000 -5.29000 0.24000 5.32000 1.70000 0.00000 0.00000 0.00000 0.24000 0.17000 0.07000 -0.66000 0.00000 -1.02000 0.00000 2.38000 221.00000 1A382_26.PDB 12.50819 -5.33000 -0.85000 -2.47000 -4.22000 -1.69000 5.25000 -6.09000 0.32000 4.39000 1.98000 0.00000 0.00000 0.00000 0.30000 0.19000 0.08000 -0.91000 0.00000 -1.42000 0.00000 2.38000 221.00000 1A382_27.PDB 10.94707 -4.30000 -0.83000 -4.86000 -3.05000 -1.39000 4.38000 -3.79000 0.17000 5.91000 1.24000 0.00000 0.00000 0.00000 0.03000 0.02000 0.07000 -1.07000 0.00000 -1.13000 0.00000 2.38000 221.00000 1A382_28.PDB 11.08953 -3.81000 -1.35000 -2.89000 -4.10000 -1.56000 6.35000 -5.16000 0.12000 4.64000 2.48000 0.00000 0.00000 0.00000 0.09000 0.08000 0.08000 -1.36000 0.00000 -1.15000 0.00000 2.38000 221.00000 1A382_29.PDB 12.15623 -4.95000 -0.72000 -4.00000 -4.76000 -1.89000 7.25000 -5.95000 0.57000 3.93000 2.45000 0.00000 0.00000 0.00000 0.31000 0.16000 0.10000 -0.74000 0.00000 -1.49000 0.00000 2.38000 221.00000 1A382_30.PDB 12.40712 -5.45000 -0.83000 -4.14000 -4.79000 -2.05000 7.52000 -6.35000 0.25000 3.98000 2.38000 0.00000 0.00000 0.00000 0.31000 0.17000 0.10000 -0.35000 0.00000 -1.48000 0.00000 2.38000 221.00000