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 1A812_1.PDB 7.20685 -11.66000 -1.86000 -5.27000 -9.66000 -4.73000 13.67000 -10.79000 0.97000 7.01000 4.61000 0.00000 0.00000 0.00000 0.14000 1.40000 -0.31000 -2.01000 0.00000 -3.43000 0.00000 2.38000 119.00000 1A812_2.PDB 7.95069 -12.29000 -2.02000 -4.69000 -10.18000 -5.94000 15.45000 -11.21000 0.36000 6.59000 4.31000 0.00000 0.00000 0.00000 0.13000 1.41000 -0.41000 -0.98000 0.00000 -3.69000 0.00000 2.38000 119.00000 1A812_3.PDB 7.16360 -11.03000 -1.95000 -5.26000 -9.80000 -5.16000 15.22000 -11.01000 0.35000 6.58000 4.60000 0.00000 0.00000 0.00000 0.16000 1.50000 -0.45000 -0.96000 0.00000 -3.35000 0.00000 2.38000 119.00000 1A812_4.PDB 6.47604 -10.33000 -0.99000 -4.94000 -9.99000 -4.77000 14.20000 -11.27000 0.36000 6.89000 5.06000 0.00000 0.00000 0.00000 0.16000 1.42000 -0.34000 -1.32000 0.00000 -3.40000 0.00000 2.38000 119.00000 1A812_5.PDB 6.92588 -11.07000 -1.93000 -4.27000 -9.73000 -4.53000 13.82000 -10.93000 0.60000 5.83000 4.93000 0.00000 0.00000 0.00000 0.17000 1.32000 -0.39000 -1.73000 0.00000 -2.90000 0.00000 2.38000 119.00000 1A812_6.PDB 6.55752 -12.94000 -1.99000 -5.72000 -10.15000 -5.66000 14.66000 -11.46000 0.52000 7.06000 4.83000 0.00000 0.00000 0.00000 0.14000 1.38000 -0.42000 -1.18000 0.00000 -3.58000 0.00000 2.38000 119.00000 1A812_7.PDB 6.53910 -10.23000 -1.00000 -4.51000 -9.87000 -4.55000 14.15000 -11.12000 0.25000 6.92000 5.08000 0.00000 0.00000 0.00000 0.16000 1.42000 -0.33000 -2.04000 0.00000 -3.37000 0.00000 2.38000 119.00000 1A812_8.PDB 7.00109 -9.89000 -0.98000 -4.71000 -9.49000 -5.10000 14.58000 -10.26000 0.21000 6.56000 4.56000 0.00000 0.00000 0.00000 0.18000 1.40000 -0.29000 -1.67000 0.00000 -3.47000 0.00000 2.38000 119.00000 1A812_9.PDB 6.23489 -11.61000 -1.93000 -4.97000 -9.78000 -5.34000 14.09000 -10.92000 0.35000 6.89000 4.86000 0.00000 0.00000 0.00000 0.13000 1.30000 -0.46000 -0.99000 0.00000 -3.54000 0.00000 2.38000 119.00000 1A812_10.PDB 7.34552 -9.50000 -1.02000 -3.65000 -9.81000 -5.11000 14.77000 -11.04000 0.67000 6.13000 4.60000 0.00000 0.00000 0.00000 0.16000 1.46000 -0.42000 -1.22000 0.00000 -3.57000 0.00000 2.38000 119.00000 1A812_11.PDB 6.79121 -11.66000 -1.94000 -5.16000 -9.37000 -5.13000 14.18000 -10.65000 0.35000 6.80000 4.37000 0.00000 0.00000 0.00000 0.10000 1.39000 -0.42000 -1.31000 0.00000 -3.47000 0.00000 2.38000 119.00000 1A812_12.PDB 6.17882 -9.81000 -0.97000 -5.11000 -9.82000 -5.68000 16.05000 -10.90000 0.41000 6.69000 4.53000 0.00000 0.00000 0.00000 0.12000 1.35000 -0.39000 -1.08000 0.00000 -3.66000 0.00000 2.38000 119.00000 1A812_13.PDB 5.63043 -9.26000 -0.94000 -4.42000 -9.25000 -4.75000 13.80000 -10.51000 0.23000 6.68000 4.97000 0.00000 0.00000 0.00000 0.10000 1.33000 -0.33000 -1.32000 0.00000 -3.53000 0.00000 2.38000 119.00000 1A812_14.PDB 6.01869 -9.89000 -0.95000 -5.11000 -9.31000 -4.61000 13.35000 -10.55000 1.11000 6.56000 4.37000 0.00000 0.00000 0.00000 0.14000 1.37000 -0.33000 -1.21000 0.00000 -3.35000 0.00000 2.38000 119.00000 1A812_15.PDB 6.23472 -11.29000 -1.93000 -3.85000 -9.55000 -5.35000 14.55000 -10.79000 0.27000 5.30000 4.83000 0.00000 0.00000 0.00000 0.08000 1.40000 -0.46000 -1.47000 0.00000 -2.92000 0.00000 2.38000 119.00000 1A812_16.PDB 6.42424 -10.68000 -1.94000 -4.57000 -9.45000 -5.21000 14.54000 -10.67000 0.30000 5.37000 4.88000 0.00000 0.00000 0.00000 0.15000 1.40000 -0.44000 -0.70000 0.00000 -2.94000 0.00000 2.38000 119.00000 1A812_17.PDB 5.75943 -10.36000 -1.91000 -5.20000 -9.27000 -3.99000 14.14000 -10.71000 0.28000 5.78000 4.91000 0.00000 0.00000 0.00000 0.08000 1.39000 -0.34000 -1.45000 0.00000 -2.69000 0.00000 2.38000 119.00000 1A812_18.PDB 5.79654 -12.21000 -1.80000 -6.16000 -9.63000 -5.81000 15.04000 -10.80000 0.28000 6.35000 5.39000 0.00000 0.00000 0.00000 0.13000 1.39000 -0.44000 -1.04000 0.00000 -3.72000 0.00000 2.38000 119.00000 1A812_19.PDB 7.56602 -11.53000 -1.94000 -4.26000 -9.52000 -5.36000 13.67000 -10.72000 0.40000 6.75000 4.50000 0.00000 0.00000 0.00000 0.15000 1.38000 -0.29000 -1.30000 0.00000 -3.63000 0.00000 2.38000 119.00000 1A812_20.PDB 7.03727 -11.45000 -2.43000 -4.78000 -9.81000 -5.66000 15.34000 -10.39000 1.01000 5.74000 4.23000 0.00000 0.00000 0.00000 0.40000 1.25000 -0.19000 -1.33000 0.00000 -3.59000 0.00000 2.38000 119.00000 1A812_21.PDB 6.60337 -10.94000 -1.96000 -3.24000 -9.54000 -4.36000 12.79000 -10.97000 0.32000 5.87000 4.31000 0.00000 0.00000 0.00000 0.14000 1.43000 -0.25000 -1.17000 0.00000 -2.89000 0.00000 2.38000 119.00000 1A812_22.PDB 6.78333 -10.82000 -1.96000 -4.72000 -9.33000 -5.26000 14.14000 -10.44000 0.26000 6.22000 4.66000 0.00000 0.00000 0.00000 0.21000 1.50000 -0.41000 -0.61000 0.00000 -3.59000 0.00000 2.38000 119.00000 1A812_23.PDB 6.57637 -8.69000 -1.00000 -3.21000 -8.82000 -4.08000 12.13000 -10.07000 0.22000 5.79000 4.51000 0.00000 0.00000 0.00000 0.18000 1.53000 -0.26000 -0.75000 0.00000 -3.32000 0.00000 2.38000 119.00000 1A812_24.PDB 5.92399 -10.98000 -1.93000 -3.42000 -8.79000 -4.73000 12.44000 -10.01000 0.16000 5.98000 4.44000 0.00000 0.00000 0.00000 0.13000 1.37000 -0.33000 -1.47000 0.00000 -3.45000 0.00000 2.38000 119.00000 1A812_25.PDB 7.44658 -11.08000 -1.96000 -3.53000 -10.04000 -5.48000 14.56000 -11.26000 0.32000 5.95000 4.92000 0.00000 0.00000 0.00000 0.17000 1.61000 -0.25000 -1.26000 0.00000 -3.23000 0.00000 2.38000 119.00000 1A812_26.PDB 7.15357 -11.95000 -1.84000 -4.90000 -9.97000 -5.72000 14.74000 -11.15000 0.38000 6.62000 5.37000 0.00000 0.00000 0.00000 0.23000 1.12000 -0.27000 -1.57000 0.00000 -3.89000 0.00000 2.38000 119.00000 1A812_27.PDB 7.69284 -12.40000 -1.99000 -6.23000 -9.99000 -5.28000 13.74000 -11.23000 1.52000 7.40000 4.91000 0.00000 0.00000 0.00000 0.16000 1.34000 -0.21000 -1.49000 0.00000 -3.71000 0.00000 2.38000 119.00000 1A812_28.PDB 6.61227 -11.13000 -2.04000 -4.03000 -9.91000 -4.87000 14.17000 -11.23000 0.62000 6.09000 4.37000 0.00000 0.00000 0.00000 0.16000 1.48000 -0.31000 -1.08000 0.00000 -3.05000 0.00000 2.38000 119.00000 1A812_29.PDB 8.23061 -11.27000 -2.00000 -5.22000 -9.83000 -4.78000 13.69000 -10.90000 1.62000 5.97000 4.84000 0.00000 0.00000 0.00000 0.16000 1.46000 -0.25000 -1.52000 0.00000 -3.04000 0.00000 2.38000 119.00000 1A812_30.PDB 7.51504 -10.76000 -1.95000 -3.51000 -9.47000 -4.79000 13.30000 -10.73000 0.32000 5.86000 4.83000 0.00000 0.00000 0.00000 0.16000 1.41000 -0.31000 -1.37000 0.00000 -3.10000 0.00000 2.38000 119.00000