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 1A813_1.PDB 6.29525 -13.86000 -1.33000 -3.19000 -9.24000 -6.39000 11.36000 -11.41000 0.12000 7.25000 3.51000 0.00000 0.00000 0.00000 0.12000 1.37000 0.00000 -0.77000 0.00000 -3.89000 0.00000 2.38000 105.00000 1A813_2.PDB 6.37302 -15.62000 -1.27000 -4.65000 -9.54000 -7.17000 11.87000 -11.32000 0.09000 8.28000 3.43000 0.00000 0.00000 0.00000 0.12000 1.22000 0.00000 -0.82000 0.00000 -4.66000 0.00000 2.38000 105.00000 1A813_3.PDB 6.38386 -13.80000 -1.33000 -3.17000 -9.10000 -6.20000 11.26000 -11.22000 0.13000 7.01000 3.20000 0.00000 0.00000 0.00000 0.12000 1.28000 0.00000 -0.78000 0.00000 -3.72000 0.00000 2.38000 105.00000 1A813_4.PDB 6.35283 -15.85000 -1.29000 -4.65000 -9.37000 -7.22000 11.53000 -11.21000 0.09000 8.38000 3.34000 0.00000 0.00000 0.00000 0.12000 1.15000 0.00000 -0.79000 0.00000 -4.79000 0.00000 2.38000 105.00000 1A813_5.PDB 7.03983 -13.76000 -1.33000 -3.19000 -9.22000 -6.07000 11.32000 -11.45000 0.15000 6.97000 3.22000 0.00000 0.00000 0.00000 0.12000 1.14000 0.00000 -0.77000 0.00000 -3.50000 0.00000 2.38000 105.00000 1A813_6.PDB 6.87020 -15.27000 -1.29000 -4.53000 -9.51000 -6.87000 11.76000 -11.35000 0.25000 7.98000 3.29000 0.00000 0.00000 0.00000 0.11000 1.27000 0.00000 -0.75000 0.00000 -4.36000 0.00000 2.38000 105.00000 1A813_7.PDB 7.53972 -13.58000 -1.33000 -3.19000 -9.17000 -6.40000 11.36000 -11.27000 0.15000 7.15000 3.42000 0.00000 0.00000 0.00000 0.28000 1.32000 0.00000 -0.79000 0.00000 -3.80000 0.00000 2.38000 105.00000 1A813_8.PDB 7.06434 -13.34000 -1.33000 -3.19000 -9.13000 -6.24000 11.34000 -11.27000 0.10000 7.00000 3.70000 0.00000 0.00000 0.00000 0.13000 1.31000 0.00000 -0.80000 0.00000 -3.66000 0.00000 2.38000 105.00000 1A813_9.PDB 8.08350 -15.17000 -1.29000 -4.41000 -9.46000 -7.07000 11.71000 -11.17000 0.13000 8.11000 3.42000 0.00000 0.00000 0.00000 0.28000 1.39000 0.00000 -0.82000 0.00000 -4.60000 0.00000 2.38000 105.00000 1A813_10.PDB 7.03303 -15.46000 -1.24000 -4.69000 -9.45000 -7.11000 11.85000 -11.20000 0.12000 8.35000 3.27000 0.00000 0.00000 0.00000 0.11000 1.29000 0.00000 -0.80000 0.00000 -4.67000 0.00000 2.38000 105.00000 1A813_11.PDB 6.99529 -10.73000 -1.49000 -0.61000 -8.07000 -2.27000 6.96000 -11.03000 0.08000 4.86000 3.38000 0.00000 0.00000 0.00000 0.06000 1.20000 0.00000 -0.36000 0.00000 -2.22000 0.00000 2.38000 105.00000 1A813_12.PDB 7.71410 -13.30000 -1.33000 -3.16000 -9.31000 -6.22000 11.67000 -11.41000 0.28000 7.07000 3.31000 0.00000 0.00000 0.00000 0.27000 1.31000 0.00000 -0.81000 0.00000 -3.66000 0.00000 2.38000 105.00000 1A813_13.PDB 6.50708 -13.49000 -1.33000 -2.39000 -9.15000 -6.54000 11.40000 -11.27000 0.15000 6.85000 3.48000 0.00000 0.00000 0.00000 0.12000 1.36000 0.00000 -0.73000 0.00000 -4.07000 0.00000 2.38000 105.00000 1A813_14.PDB 6.64596 -13.72000 -1.33000 -3.19000 -9.23000 -6.13000 11.38000 -11.38000 0.13000 6.99000 3.31000 0.00000 0.00000 0.00000 0.12000 1.33000 0.00000 -0.80000 0.00000 -3.58000 0.00000 2.38000 105.00000 1A813_15.PDB 6.93623 -12.71000 -1.37000 -2.82000 -9.39000 -5.92000 11.41000 -11.64000 0.41000 6.87000 3.35000 0.00000 0.00000 0.00000 0.18000 1.39000 0.00000 -0.03000 0.00000 -3.77000 0.00000 2.38000 105.00000 1A813_16.PDB 6.25216 -13.50000 -1.38000 -3.14000 -8.40000 -3.08000 7.93000 -10.84000 0.13000 5.38000 3.38000 0.00000 0.00000 0.00000 0.03000 1.30000 0.00000 -0.52000 0.00000 -3.00000 0.00000 2.38000 105.00000 1A813_17.PDB 6.32682 -13.45000 -1.33000 -3.19000 -9.18000 -6.18000 11.31000 -11.27000 0.11000 7.04000 3.52000 0.00000 0.00000 0.00000 0.12000 1.30000 0.00000 -0.75000 0.00000 -3.64000 0.00000 2.38000 105.00000 1A813_18.PDB 6.26345 -15.22000 -1.27000 -3.45000 -9.33000 -7.36000 11.63000 -11.06000 0.11000 7.71000 3.44000 0.00000 0.00000 0.00000 0.11000 1.30000 0.00000 -0.84000 0.00000 -4.90000 0.00000 2.38000 105.00000 1A813_19.PDB 7.83239 -15.24000 -1.31000 -4.75000 -9.41000 -7.25000 11.97000 -11.10000 0.11000 8.29000 3.41000 0.00000 0.00000 0.00000 0.26000 1.16000 0.00000 -0.78000 0.00000 -4.69000 0.00000 2.38000 105.00000 1A813_20.PDB 7.91663 -13.65000 -1.33000 -3.19000 -9.27000 -6.25000 11.44000 -11.39000 0.12000 7.05000 3.37000 0.00000 0.00000 0.00000 0.27000 1.35000 0.00000 -0.81000 0.00000 -3.66000 0.00000 2.38000 105.00000 1A813_21.PDB 6.36326 -15.34000 -1.29000 -4.35000 -9.54000 -7.03000 11.90000 -11.31000 0.15000 7.97000 3.30000 0.00000 0.00000 0.00000 0.11000 1.19000 0.00000 -0.73000 0.00000 -4.51000 0.00000 2.38000 105.00000 1A813_22.PDB 6.31582 -15.58000 -1.27000 -4.22000 -9.36000 -7.23000 11.67000 -11.16000 0.10000 8.11000 3.31000 0.00000 0.00000 0.00000 0.14000 1.33000 0.00000 -0.85000 0.00000 -4.81000 0.00000 2.38000 105.00000 1A813_23.PDB 7.09094 -10.66000 -1.36000 -0.64000 -8.05000 -1.95000 6.83000 -11.08000 0.10000 4.55000 3.23000 0.00000 0.00000 0.00000 0.15000 1.19000 0.00000 -0.40000 0.00000 -2.04000 0.00000 2.38000 105.00000 1A813_24.PDB 6.18093 -13.72000 -1.32000 -3.16000 -9.08000 -6.27000 11.11000 -11.27000 0.21000 7.14000 3.31000 0.00000 0.00000 0.00000 0.14000 1.15000 0.00000 -0.76000 0.00000 -3.77000 0.00000 2.38000 105.00000 1A813_25.PDB 6.06337 -13.59000 -1.33000 -2.39000 -9.11000 -6.58000 11.35000 -11.22000 0.16000 6.89000 3.39000 0.00000 0.00000 0.00000 0.12000 1.22000 0.00000 -0.74000 0.00000 -4.12000 0.00000 2.38000 105.00000 1A813_26.PDB 6.24450 -13.51000 -1.33000 -3.03000 -9.19000 -6.44000 11.27000 -11.20000 0.13000 7.27000 3.53000 0.00000 0.00000 0.00000 0.12000 1.31000 0.00000 -0.71000 0.00000 -3.93000 0.00000 2.38000 105.00000 1A813_27.PDB 6.43293 -14.00000 -1.33000 -3.19000 -9.09000 -6.22000 11.14000 -11.33000 0.14000 7.00000 3.20000 0.00000 0.00000 0.00000 0.12000 1.15000 0.00000 -0.75000 0.00000 -3.70000 0.00000 2.38000 105.00000 1A813_28.PDB 7.39314 -13.59000 -1.33000 -3.19000 -9.12000 -6.11000 11.35000 -11.23000 0.11000 6.88000 3.26000 0.00000 0.00000 0.00000 0.13000 1.31000 0.00000 -0.78000 0.00000 -3.56000 0.00000 2.38000 105.00000 1A813_29.PDB 6.24302 -14.93000 -1.31000 -4.58000 -9.40000 -6.96000 11.89000 -11.15000 0.23000 8.07000 3.42000 0.00000 0.00000 0.00000 0.11000 1.24000 0.00000 -0.75000 0.00000 -4.48000 0.00000 2.38000 105.00000 1A813_30.PDB 7.82332 -15.40000 -1.27000 -4.41000 -9.60000 -7.17000 11.87000 -11.37000 0.17000 8.18000 3.43000 0.00000 0.00000 0.00000 0.26000 1.31000 0.00000 -0.84000 0.00000 -4.64000 0.00000 2.38000 105.00000