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 HSE1_1GCQ-28_1.PDB 3.81078 -11.01000 -1.53000 -5.07000 -10.10000 -0.79000 12.06000 -12.85000 0.88000 5.34000 2.54000 0.00000 0.00000 0.00000 0.19000 1.22000 0.00000 -1.23000 0.00000 -0.45000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_2.PDB 3.96477 -9.93000 -1.50000 -3.33000 -10.32000 -0.68000 12.21000 -13.07000 0.97000 5.04000 2.63000 0.00000 0.00000 0.00000 0.20000 1.16000 0.00000 -1.77000 0.00000 -0.32000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_3.PDB 3.79831 -10.00000 -1.48000 -5.60000 -10.33000 -1.21000 12.51000 -12.95000 1.11000 6.59000 3.34000 0.00000 0.00000 0.00000 0.20000 1.20000 0.00000 -1.29000 0.00000 -0.89000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_4.PDB 5.42936 -12.03000 -3.14000 -6.40000 -10.33000 -2.08000 13.87000 -12.00000 1.10000 6.66000 3.27000 0.00000 0.00000 0.00000 0.20000 1.23000 0.00000 -1.92000 0.00000 -1.27000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_5.PDB 4.97491 -10.35000 -1.50000 -3.58000 -9.91000 -2.61000 12.77000 -11.50000 1.37000 4.51000 2.57000 0.00000 0.00000 0.00000 0.26000 1.14000 0.00000 -1.47000 0.00000 -1.26000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_6.PDB 3.76125 -9.99000 -1.87000 -4.75000 -10.85000 -1.01000 12.76000 -13.46000 0.88000 6.77000 2.88000 0.00000 0.00000 0.00000 0.17000 1.31000 0.00000 -1.01000 0.00000 -0.52000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_7.PDB 3.99373 -10.84000 -1.51000 -5.02000 -10.18000 -0.77000 12.09000 -12.95000 1.01000 5.49000 2.57000 0.00000 0.00000 0.00000 0.19000 1.21000 0.00000 -1.29000 0.00000 -0.46000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_8.PDB 5.11719 -11.38000 -3.19000 -6.79000 -10.10000 -1.78000 13.55000 -11.81000 1.18000 5.86000 3.84000 0.00000 0.00000 0.00000 0.21000 1.33000 0.00000 -1.40000 0.00000 -0.94000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_9.PDB 3.79624 -13.92000 -2.08000 -5.68000 -11.49000 -3.73000 13.73000 -13.78000 2.07000 5.98000 3.30000 0.00000 0.00000 0.00000 0.20000 1.44000 0.00000 -0.88000 0.00000 -1.56000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_10.PDB 4.03751 -12.60000 -2.07000 -5.45000 -11.37000 -2.51000 13.08000 -13.79000 2.38000 5.51000 3.21000 0.00000 0.00000 0.00000 0.19000 1.36000 0.00000 -0.94000 0.00000 -0.85000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_11.PDB 4.19023 -10.24000 -1.50000 -5.93000 -10.39000 -1.01000 12.65000 -12.99000 1.23000 5.99000 3.34000 0.00000 0.00000 0.00000 0.23000 1.21000 0.00000 -1.26000 0.00000 -0.59000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_12.PDB 3.86801 -11.90000 -2.04000 -5.61000 -10.64000 -2.40000 13.20000 -12.74000 1.90000 5.65000 3.22000 0.00000 0.00000 0.00000 0.23000 1.25000 0.00000 -1.19000 0.00000 -1.48000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_13.PDB 3.03819 -9.24000 -1.19000 -3.09000 -9.82000 -0.64000 11.42000 -12.50000 0.63000 5.01000 2.70000 0.00000 0.00000 0.00000 0.17000 1.13000 0.00000 -1.14000 0.00000 -0.78000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_14.PDB 5.13523 -11.18000 -3.20000 -5.85000 -10.80000 -2.10000 14.64000 -12.31000 1.12000 6.84000 3.42000 0.00000 0.00000 0.00000 0.27000 1.29000 0.00000 -2.11000 0.00000 -1.11000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_15.PDB 4.47668 -11.75000 -1.51000 -6.18000 -10.53000 -2.76000 13.97000 -12.28000 1.24000 6.84000 2.67000 0.00000 0.00000 0.00000 0.16000 1.16000 0.00000 -1.86000 0.00000 -1.51000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_16.PDB 3.94418 -10.63000 -1.48000 -3.32000 -10.71000 -0.86000 12.25000 -13.71000 1.06000 5.24000 2.80000 0.00000 0.00000 0.00000 0.18000 1.25000 0.00000 -1.55000 0.00000 -0.54000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_17.PDB 4.74480 -10.26000 -1.48000 -3.32000 -10.78000 -0.71000 12.33000 -13.72000 1.10000 5.11000 2.77000 0.00000 0.00000 0.00000 0.25000 1.16000 0.00000 -1.42000 0.00000 -0.38000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_18.PDB 4.40229 -11.45000 -1.51000 -5.09000 -10.03000 -0.71000 11.83000 -12.82000 0.83000 4.88000 2.56000 0.00000 0.00000 0.00000 0.22000 1.05000 0.00000 -1.25000 0.00000 -0.36000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_19.PDB 3.91318 -9.78000 -1.47000 -3.31000 -9.96000 -0.58000 11.43000 -12.83000 1.21000 4.59000 2.49000 0.00000 0.00000 0.00000 0.16000 1.04000 0.00000 -1.24000 0.00000 -0.27000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_20.PDB 3.82108 -12.75000 -2.87000 -6.47000 -10.92000 -1.58000 13.11000 -13.57000 0.90000 6.42000 3.77000 0.00000 0.00000 0.00000 0.23000 1.36000 0.00000 -0.95000 0.00000 -0.82000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_21.PDB 3.77651 -9.30000 -1.97000 -5.58000 -9.77000 -1.30000 11.96000 -12.24000 1.10000 7.03000 3.47000 0.00000 0.00000 0.00000 0.12000 1.20000 0.00000 -0.73000 0.00000 -1.37000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_22.PDB 4.97722 -12.12000 -3.46000 -7.07000 -10.63000 -2.40000 14.08000 -12.22000 0.89000 7.54000 3.50000 0.00000 0.00000 0.00000 0.15000 1.43000 0.00000 -1.10000 0.00000 -1.40000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_23.PDB 3.76033 -10.54000 -1.49000 -3.29000 -10.64000 -0.85000 12.23000 -13.68000 1.00000 4.98000 3.06000 0.00000 0.00000 0.00000 0.19000 1.28000 0.00000 -1.51000 0.00000 -0.55000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_24.PDB 3.99263 -9.53000 -1.48000 -6.30000 -10.03000 -2.71000 13.51000 -11.61000 1.06000 7.13000 3.39000 0.00000 0.00000 0.00000 0.16000 1.36000 0.00000 -1.13000 0.00000 -1.52000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_25.PDB 3.66896 -9.10000 -1.93000 -3.84000 -10.44000 -1.48000 12.83000 -12.48000 0.97000 6.32000 2.95000 0.00000 0.00000 0.00000 0.15000 1.26000 0.00000 -1.28000 0.00000 -0.89000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_26.PDB 3.87185 -13.61000 -2.07000 -5.56000 -11.34000 -2.70000 13.13000 -13.72000 2.03000 5.31000 3.25000 0.00000 0.00000 0.00000 0.23000 1.45000 0.00000 -1.04000 0.00000 -1.14000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_27.PDB 3.23082 -10.03000 -1.20000 -3.11000 -10.14000 -0.77000 11.26000 -13.11000 0.92000 4.81000 2.67000 0.00000 0.00000 0.00000 0.14000 1.20000 0.00000 -1.13000 0.00000 -0.38000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_28.PDB 4.28834 -9.58000 -1.49000 -5.40000 -10.16000 -0.86000 12.07000 -12.87000 1.04000 6.21000 3.27000 0.00000 0.00000 0.00000 0.20000 1.10000 0.00000 -1.11000 0.00000 -0.49000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_29.PDB 4.25310 -10.80000 -2.04000 -4.63000 -10.93000 -3.93000 14.34000 -12.20000 2.27000 6.36000 3.27000 0.00000 0.00000 0.00000 0.18000 1.31000 0.00000 -1.43000 0.00000 -2.06000 0.00000 2.38000 65.00000 HSE1_1GCQ-28_30.PDB 4.51850 -10.81000 -1.87000 -5.99000 -10.01000 -2.72000 13.37000 -11.56000 1.02000 7.24000 2.86000 0.00000 0.00000 0.00000 0.10000 1.15000 0.00000 -1.19000 0.00000 -2.06000 0.00000 2.38000 65.00000