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 1HCT2_1.PDB 6.14169 -4.33000 -0.89000 -0.82000 -4.65000 -1.32000 5.81000 -5.62000 0.21000 2.75000 2.35000 0.00000 0.00000 0.00000 0.11000 0.22000 -0.01000 -0.94000 0.00000 -1.32000 0.00000 2.38000 112.00000 1HCT2_2.PDB 6.13837 -3.66000 -0.85000 -0.79000 -4.20000 -0.77000 5.35000 -5.47000 0.13000 2.41000 2.36000 0.00000 0.00000 0.00000 0.04000 0.25000 -0.01000 -0.94000 0.00000 -0.93000 0.00000 2.38000 112.00000 1HCT2_3.PDB 5.43815 -3.13000 -0.90000 -0.83000 -4.90000 -0.73000 5.81000 -6.10000 0.35000 3.19000 2.88000 0.00000 0.00000 0.00000 0.02000 0.30000 -0.01000 -1.07000 0.00000 -0.84000 0.00000 2.38000 112.00000 1HCT2_4.PDB 7.10747 -2.81000 -0.85000 -0.80000 -4.13000 -0.90000 5.46000 -5.09000 0.20000 2.50000 2.74000 0.00000 0.00000 0.00000 0.02000 0.26000 -0.01000 -0.88000 0.00000 -1.06000 0.00000 2.38000 112.00000 1HCT2_5.PDB 6.89491 -3.72000 -0.88000 -0.82000 -4.67000 -1.07000 5.94000 -5.71000 0.28000 2.74000 2.87000 0.00000 0.00000 0.00000 0.03000 0.26000 -0.01000 -1.18000 0.00000 -1.24000 0.00000 2.38000 112.00000 1HCT2_6.PDB 6.53106 -3.25000 -0.87000 -0.82000 -4.11000 -1.10000 5.43000 -5.11000 0.18000 2.63000 2.83000 0.00000 0.00000 0.00000 0.02000 0.25000 -0.01000 -0.94000 0.00000 -1.38000 0.00000 2.38000 112.00000 1HCT2_7.PDB 3.45187 -3.33000 -0.86000 -0.81000 -4.54000 -0.54000 5.63000 -5.96000 0.16000 2.54000 2.69000 0.00000 0.00000 0.00000 0.03000 0.30000 -0.01000 -1.09000 0.00000 -0.58000 0.00000 2.38000 112.00000 1HCT2_8.PDB 5.60966 -4.09000 -0.85000 -0.81000 -4.23000 -0.91000 5.35000 -5.54000 0.15000 2.43000 2.49000 0.00000 0.00000 0.00000 0.03000 0.24000 -0.01000 -1.23000 0.00000 -0.97000 0.00000 2.38000 112.00000 1HCT2_9.PDB 3.55340 -3.25000 -0.87000 -0.81000 -4.76000 -0.44000 5.26000 -6.06000 0.20000 2.75000 2.93000 0.00000 0.00000 0.00000 0.02000 0.30000 -0.01000 -1.00000 0.00000 -0.44000 0.00000 2.38000 112.00000 1HCT2_10.PDB 7.10206 -4.15000 -0.86000 -0.81000 -4.08000 -1.00000 5.04000 -5.34000 0.17000 2.49000 2.42000 0.00000 0.00000 0.00000 0.02000 0.24000 -0.01000 -0.93000 0.00000 -1.28000 0.00000 2.38000 112.00000 1HCT2_11.PDB 3.61569 -3.24000 -0.88000 -0.81000 -4.93000 -0.51000 5.72000 -6.21000 0.20000 2.86000 2.94000 0.00000 0.00000 0.00000 0.02000 0.30000 -0.01000 -1.13000 0.00000 -0.50000 0.00000 2.38000 112.00000 1HCT2_12.PDB 5.66385 -3.74000 -0.86000 -0.81000 -4.18000 -0.78000 5.18000 -5.49000 0.18000 2.36000 2.49000 0.00000 0.00000 0.00000 0.02000 0.25000 -0.01000 -0.94000 0.00000 -0.90000 0.00000 2.38000 112.00000 1HCT2_13.PDB 7.13457 -2.92000 -0.87000 -0.82000 -4.22000 -0.60000 5.36000 -5.28000 0.12000 2.45000 2.85000 0.00000 0.00000 0.00000 0.03000 0.29000 -0.01000 -1.23000 0.00000 -0.71000 0.00000 2.38000 112.00000 1HCT2_14.PDB 4.06878 -3.36000 -0.88000 -0.83000 -4.47000 -0.47000 5.40000 -5.86000 0.15000 2.49000 2.55000 0.00000 0.00000 0.00000 0.04000 0.30000 -0.01000 -0.98000 0.00000 -0.47000 0.00000 2.38000 112.00000 1HCT2_15.PDB 3.46756 -3.43000 -0.88000 -0.83000 -4.61000 -0.51000 5.54000 -6.05000 0.19000 2.54000 2.76000 0.00000 0.00000 0.00000 0.03000 0.30000 -0.01000 -1.09000 0.00000 -0.51000 0.00000 2.38000 112.00000 1HCT2_16.PDB 5.72474 -3.47000 -0.86000 -0.81000 -4.53000 -0.48000 5.36000 -5.97000 0.17000 2.51000 2.69000 0.00000 0.00000 0.00000 0.03000 0.29000 -0.01000 -1.05000 0.00000 -0.51000 0.00000 2.38000 112.00000 1HCT2_17.PDB 3.58710 -2.46000 -0.86000 -0.81000 -4.14000 -0.55000 5.31000 -5.17000 0.17000 2.36000 2.75000 0.00000 0.00000 0.00000 0.02000 0.25000 -0.01000 -0.93000 0.00000 -0.60000 0.00000 2.38000 112.00000 1HCT2_18.PDB 5.10255 -2.48000 -0.05000 0.00000 -4.36000 -0.85000 4.39000 -5.30000 0.20000 2.56000 2.47000 0.00000 0.00000 0.00000 0.02000 0.25000 -0.02000 -0.43000 0.00000 -1.11000 0.00000 2.38000 112.00000 1HCT2_19.PDB 3.60650 -2.72000 -0.87000 -0.80000 -4.77000 -0.53000 5.79000 -5.92000 0.23000 2.79000 2.95000 0.00000 0.00000 0.00000 0.02000 0.34000 -0.01000 -1.07000 0.00000 -0.54000 0.00000 2.38000 112.00000 1HCT2_20.PDB 4.33177 -3.68000 -0.87000 -0.82000 -4.40000 -0.68000 5.42000 -5.69000 0.17000 2.61000 2.64000 0.00000 0.00000 0.00000 0.04000 0.25000 -0.01000 -1.26000 0.00000 -0.84000 0.00000 2.38000 112.00000 1HCT2_21.PDB 3.61119 -2.40000 -0.86000 -0.81000 -4.13000 -0.45000 5.17000 -5.15000 0.18000 2.26000 2.75000 0.00000 0.00000 0.00000 0.01000 0.25000 -0.01000 -0.93000 0.00000 -0.45000 0.00000 2.38000 112.00000 1HCT2_22.PDB 6.31991 -4.40000 -0.86000 -0.81000 -4.22000 -1.31000 5.57000 -5.38000 0.10000 2.61000 2.77000 0.00000 0.00000 0.00000 0.03000 0.25000 -0.01000 -1.27000 0.00000 -1.60000 0.00000 2.38000 112.00000 1HCT2_23.PDB 3.62187 -3.05000 -0.88000 -0.82000 -4.68000 -0.52000 5.52000 -5.84000 0.19000 2.70000 2.83000 0.00000 0.00000 0.00000 0.01000 0.25000 -0.01000 -1.03000 0.00000 -0.54000 0.00000 2.38000 112.00000 1HCT2_24.PDB 5.68202 -3.34000 -0.86000 -0.81000 -4.18000 -0.58000 5.19000 -5.46000 0.19000 2.33000 2.51000 0.00000 0.00000 0.00000 0.02000 0.25000 -0.01000 -1.03000 0.00000 -0.64000 0.00000 2.38000 112.00000 1HCT2_25.PDB 5.80143 -2.96000 -0.02000 -0.66000 -4.24000 -1.56000 5.12000 -5.35000 0.25000 3.44000 2.40000 0.00000 0.00000 0.00000 0.04000 0.26000 0.01000 -0.38000 0.00000 -2.00000 0.00000 2.38000 112.00000 1HCT2_26.PDB 3.12640 -1.52000 -0.03000 0.00000 -4.23000 -0.65000 4.61000 -5.25000 0.20000 2.57000 2.57000 0.00000 0.00000 0.00000 0.02000 0.29000 -0.01000 -0.50000 0.00000 -0.82000 0.00000 2.38000 112.00000 1HCT2_27.PDB 3.62302 -2.45000 -0.87000 -0.82000 -4.17000 -0.56000 5.41000 -5.19000 0.17000 2.35000 2.76000 0.00000 0.00000 0.00000 0.01000 0.25000 -0.01000 -0.97000 0.00000 -0.57000 0.00000 2.38000 112.00000 1HCT2_28.PDB 5.18317 -1.82000 -0.04000 -0.79000 -3.97000 -1.03000 4.96000 -4.79000 0.18000 3.01000 2.30000 0.00000 0.00000 0.00000 0.04000 0.24000 0.01000 -0.45000 0.00000 -1.26000 0.00000 2.38000 112.00000 1HCT2_29.PDB 5.57823 -2.50000 -0.86000 -0.81000 -3.88000 -0.44000 4.88000 -4.90000 0.23000 2.17000 2.52000 0.00000 0.00000 0.00000 0.01000 0.27000 -0.01000 -0.97000 0.00000 -0.45000 0.00000 2.38000 112.00000 1HCT2_30.PDB 6.24353 -1.56000 -0.01000 0.00000 -3.56000 -0.82000 4.12000 -4.32000 0.14000 2.12000 2.20000 0.00000 0.00000 0.00000 0.01000 0.23000 -0.01000 -0.37000 0.00000 -1.08000 0.00000 2.38000 112.00000