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-9_1.PDB 2.27284 -13.67000 -0.73000 -7.61000 -8.94000 -3.48000 11.00000 -10.70000 0.68000 6.57000 1.79000 0.00000 0.00000 0.00000 0.08000 0.77000 0.00000 -0.26000 0.00000 -2.06000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_2.PDB 2.28237 -10.60000 -0.82000 -6.38000 -8.64000 -2.31000 9.60000 -10.68000 2.70000 5.51000 1.97000 0.00000 0.00000 0.00000 0.06000 0.88000 0.00000 -0.14000 0.00000 -1.47000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_3.PDB 2.46461 -13.65000 -0.73000 -6.87000 -9.19000 -3.04000 10.86000 -10.80000 0.38000 6.39000 2.10000 0.00000 0.00000 0.00000 0.12000 0.72000 0.00000 -1.03000 0.00000 -1.85000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_4.PDB 2.69072 -13.14000 -0.52000 -8.02000 -8.65000 -3.03000 10.59000 -10.20000 0.40000 7.00000 1.87000 0.00000 0.00000 0.00000 0.10000 0.80000 0.00000 -0.73000 0.00000 -1.93000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_5.PDB 2.77705 -12.88000 -0.82000 -7.34000 -9.02000 -3.08000 10.88000 -10.58000 0.47000 6.65000 2.24000 0.00000 0.00000 0.00000 0.12000 0.87000 0.00000 -0.59000 0.00000 -1.81000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_6.PDB 2.28283 -12.87000 -0.76000 -7.52000 -9.49000 -2.82000 10.58000 -11.53000 2.56000 6.78000 2.16000 0.00000 0.00000 0.00000 0.09000 0.90000 0.00000 -1.19000 0.00000 -1.74000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_7.PDB 3.30847 -10.46000 -1.52000 -3.37000 -8.68000 -2.84000 9.88000 -10.35000 1.31000 4.17000 3.12000 0.00000 0.00000 0.00000 0.11000 0.82000 0.00000 -0.59000 0.00000 -1.71000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_8.PDB 3.76235 -10.13000 -1.25000 -4.97000 -8.86000 -3.30000 9.89000 -10.67000 3.32000 6.01000 2.69000 0.00000 0.00000 0.00000 0.16000 0.92000 0.00000 -0.99000 0.00000 -2.16000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_9.PDB 2.10415 -10.17000 -0.84000 -3.61000 -8.34000 -2.07000 8.60000 -11.31000 2.24000 4.56000 1.93000 0.00000 0.00000 0.00000 0.04000 0.65000 0.00000 -0.15000 0.00000 -1.20000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_10.PDB 2.37425 -11.60000 -0.22000 -7.22000 -9.44000 -3.79000 12.70000 -10.57000 0.51000 6.14000 2.68000 0.00000 0.00000 0.00000 0.12000 0.84000 0.00000 -0.41000 0.00000 -2.11000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_11.PDB 2.71225 -13.35000 -0.84000 -4.05000 -8.58000 -2.69000 8.43000 -11.46000 0.63000 4.87000 1.98000 0.00000 0.00000 0.00000 0.08000 0.70000 0.00000 -0.33000 0.00000 -1.40000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_12.PDB 2.25277 -12.38000 -0.79000 -5.17000 -8.78000 -2.69000 9.75000 -11.43000 0.59000 6.39000 1.91000 0.00000 0.00000 0.00000 0.06000 0.81000 0.00000 -0.74000 0.00000 -1.46000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_13.PDB 3.14042 -13.56000 -0.52000 -8.72000 -8.83000 -3.42000 11.34000 -10.07000 0.37000 7.63000 2.09000 0.00000 0.00000 0.00000 0.16000 0.73000 0.00000 -1.44000 0.00000 -2.14000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_14.PDB 2.31580 -10.61000 -0.82000 -5.11000 -8.79000 -2.66000 10.01000 -11.29000 1.40000 6.39000 2.10000 0.00000 0.00000 0.00000 0.06000 0.74000 0.00000 -0.44000 0.00000 -1.46000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_15.PDB 2.88505 -15.10000 -0.69000 -8.72000 -9.65000 -3.76000 11.81000 -11.15000 0.64000 7.56000 2.38000 0.00000 0.00000 0.00000 0.13000 1.09000 0.00000 -1.39000 0.00000 -2.26000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_16.PDB 3.45567 -13.53000 -1.92000 -6.36000 -9.68000 -3.87000 12.46000 -10.74000 0.47000 6.32000 3.30000 0.00000 0.00000 0.00000 0.22000 0.95000 0.00000 -1.90000 0.00000 -1.83000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_17.PDB 2.80081 -12.22000 -0.88000 -4.04000 -8.70000 -2.23000 8.64000 -11.49000 0.41000 5.10000 2.17000 0.00000 0.00000 0.00000 0.09000 0.74000 0.00000 -0.11000 0.00000 -1.18000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_18.PDB 2.66886 -11.83000 -0.58000 -5.26000 -8.44000 -2.65000 8.82000 -11.15000 2.62000 5.80000 1.80000 0.00000 0.00000 0.00000 0.06000 0.72000 0.00000 -1.26000 0.00000 -1.59000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_19.PDB 2.65580 -12.43000 -0.88000 -4.05000 -8.40000 -2.18000 8.42000 -11.13000 0.34000 4.88000 2.23000 0.00000 0.00000 0.00000 0.08000 0.73000 0.00000 -0.55000 0.00000 -1.18000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_20.PDB 2.93777 -13.73000 -1.90000 -6.35000 -9.20000 -3.50000 10.87000 -10.75000 0.57000 6.71000 2.76000 0.00000 0.00000 0.00000 0.12000 0.92000 0.00000 -0.94000 0.00000 -2.12000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_21.PDB 2.49336 -10.93000 -0.84000 -4.03000 -8.71000 -2.03000 8.65000 -11.86000 2.68000 4.50000 2.11000 0.00000 0.00000 0.00000 0.04000 0.72000 0.00000 -0.30000 0.00000 -1.13000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_22.PDB 2.47770 -13.25000 -0.83000 -6.57000 -8.28000 -2.60000 9.41000 -10.16000 0.37000 5.88000 1.59000 0.00000 0.00000 0.00000 0.06000 0.93000 0.00000 -0.49000 0.00000 -1.64000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_23.PDB 2.26960 -12.36000 -0.80000 -6.84000 -8.86000 -2.83000 9.96000 -10.78000 2.43000 5.87000 1.76000 0.00000 0.00000 0.00000 0.07000 0.98000 0.00000 -0.70000 0.00000 -1.63000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_24.PDB 2.86571 -13.11000 -0.46000 -8.83000 -9.56000 -4.16000 12.97000 -10.45000 0.94000 7.51000 2.48000 0.00000 0.00000 0.00000 0.13000 0.76000 0.00000 -1.23000 0.00000 -2.45000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_25.PDB 2.73255 -11.11000 -0.39000 -3.00000 -8.71000 -2.64000 9.34000 -11.16000 0.45000 4.31000 2.21000 0.00000 0.00000 0.00000 0.09000 0.67000 0.00000 -0.21000 0.00000 -1.39000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_26.PDB 2.63078 -11.17000 -0.58000 -5.37000 -8.48000 -2.79000 8.94000 -11.20000 2.76000 5.79000 1.98000 0.00000 0.00000 0.00000 0.14000 0.81000 0.00000 -0.73000 0.00000 -1.61000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_27.PDB 2.93226 -12.86000 -0.36000 -6.95000 -8.86000 -2.99000 10.94000 -10.20000 0.37000 6.38000 2.05000 0.00000 0.00000 0.00000 0.14000 0.80000 0.00000 -1.53000 0.00000 -1.85000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_28.PDB 2.96846 -11.93000 -0.14000 -7.88000 -9.12000 -3.65000 12.47000 -9.96000 0.68000 6.71000 2.28000 0.00000 0.00000 0.00000 0.20000 0.87000 0.00000 -1.31000 0.00000 -2.21000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_29.PDB 2.73740 -10.59000 -0.46000 -3.15000 -8.12000 -2.15000 8.68000 -10.52000 0.49000 4.61000 2.12000 0.00000 0.00000 0.00000 0.09000 0.70000 0.00000 -0.94000 0.00000 -1.23000 0.00000 2.38000 63.00000 HSE1_1GCQ-9_30.PDB 2.57787 -11.79000 -0.73000 -6.47000 -8.99000 -2.81000 10.80000 -11.23000 0.41000 6.76000 2.14000 0.00000 0.00000 0.00000 0.09000 0.72000 0.00000 -0.15000 0.00000 -1.63000 0.00000 2.38000 63.00000