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-19_1.PDB 7.41235 -8.59000 -1.41000 -4.79000 -9.11000 -1.67000 10.33000 -11.50000 0.96000 6.94000 3.60000 0.00000 0.00000 0.00000 0.18000 0.35000 0.00000 -0.99000 0.00000 -1.15000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_2.PDB 6.76018 -10.81000 -2.27000 -6.68000 -10.20000 -1.95000 11.97000 -12.74000 1.22000 7.77000 4.01000 0.00000 0.00000 0.00000 0.14000 0.51000 0.00000 -0.88000 0.00000 -1.21000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_3.PDB 6.53286 -6.62000 -1.76000 -3.53000 -9.26000 -1.65000 10.83000 -11.43000 2.03000 6.20000 3.79000 0.00000 0.00000 0.00000 0.09000 0.39000 0.00000 -0.71000 0.00000 -1.23000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_4.PDB 6.33990 -8.09000 -1.49000 -3.98000 -9.52000 -1.77000 10.81000 -12.01000 0.96000 6.88000 4.08000 0.00000 0.00000 0.00000 0.10000 0.42000 0.00000 -0.92000 0.00000 -1.23000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_5.PDB 6.08224 -7.05000 -1.41000 -4.90000 -8.63000 -1.09000 9.59000 -11.07000 1.63000 6.90000 3.45000 0.00000 0.00000 0.00000 0.10000 0.30000 0.00000 -0.92000 0.00000 -0.71000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_6.PDB 6.46485 -8.36000 -2.46000 -4.16000 -9.80000 -1.78000 11.40000 -12.41000 2.14000 6.27000 3.83000 0.00000 0.00000 0.00000 0.15000 0.44000 0.00000 -0.57000 0.00000 -0.97000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_7.PDB 6.48109 -7.18000 -1.46000 -4.40000 -8.59000 -1.24000 9.80000 -10.80000 0.59000 6.77000 3.49000 0.00000 0.00000 0.00000 0.23000 0.42000 0.00000 -0.71000 0.00000 -0.87000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_8.PDB 6.28758 -9.44000 -2.44000 -5.15000 -9.90000 -1.92000 11.52000 -12.44000 2.46000 6.12000 3.83000 0.00000 0.00000 0.00000 0.14000 0.63000 0.00000 -0.40000 0.00000 -1.26000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_9.PDB 5.81840 -8.72000 -1.39000 -3.89000 -9.65000 -1.66000 10.42000 -12.60000 0.85000 6.98000 3.90000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.56000 0.00000 -1.17000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_10.PDB 6.81059 -8.50000 -2.21000 -4.90000 -8.84000 -1.70000 10.66000 -10.90000 1.26000 6.09000 3.73000 0.00000 0.00000 0.00000 0.21000 0.33000 0.00000 -0.69000 0.00000 -1.21000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_11.PDB 6.36189 -6.24000 -1.43000 -3.21000 -8.95000 -0.88000 9.83000 -11.38000 1.02000 6.19000 3.85000 0.00000 0.00000 0.00000 0.08000 0.41000 0.00000 -0.66000 0.00000 -0.72000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_12.PDB 5.44008 -8.60000 -1.07000 -4.06000 -9.68000 -1.56000 10.29000 -12.52000 0.94000 7.46000 3.58000 0.00000 0.00000 0.00000 0.05000 0.68000 0.00000 -0.81000 0.00000 -1.23000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_13.PDB 6.42953 -8.95000 -0.97000 -4.58000 -9.95000 -1.06000 10.16000 -13.23000 1.77000 6.31000 4.22000 0.00000 0.00000 0.00000 0.12000 0.21000 0.00000 -0.84000 0.00000 -0.90000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_14.PDB 5.91776 -4.96000 -1.43000 -2.23000 -8.91000 -1.49000 10.51000 -11.22000 1.85000 5.42000 3.79000 0.00000 0.00000 0.00000 0.08000 0.35000 0.00000 -0.31000 0.00000 -1.01000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_15.PDB 6.28738 -7.68000 -1.37000 -3.87000 -8.77000 -1.28000 10.13000 -10.98000 1.02000 5.99000 3.20000 0.00000 0.00000 0.00000 0.14000 0.43000 0.00000 -1.02000 0.00000 -0.88000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_16.PDB 6.51362 -8.56000 -1.03000 -4.96000 -10.36000 -1.21000 10.88000 -13.70000 1.28000 7.76000 4.08000 0.00000 0.00000 0.00000 0.15000 0.49000 0.00000 -0.69000 0.00000 -0.75000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_17.PDB 5.97270 -8.25000 -1.36000 -2.10000 -9.05000 -1.34000 9.65000 -11.99000 0.91000 5.24000 3.33000 0.00000 0.00000 0.00000 0.08000 0.42000 0.00000 -0.68000 0.00000 -0.92000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_18.PDB 7.01091 -7.85000 -1.55000 -5.53000 -9.55000 -2.11000 11.46000 -11.82000 1.93000 7.33000 4.11000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -0.85000 0.00000 -1.34000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_19.PDB 6.08115 -6.09000 -1.45000 -3.64000 -8.76000 -1.70000 10.43000 -10.82000 1.80000 5.83000 3.98000 0.00000 0.00000 0.00000 0.13000 0.33000 0.00000 -0.80000 0.00000 -1.09000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_20.PDB 6.21272 -7.65000 -1.13000 -2.93000 -8.89000 -1.13000 9.82000 -11.54000 0.70000 5.68000 3.04000 0.00000 0.00000 0.00000 0.14000 0.31000 0.00000 -0.85000 0.00000 -0.57000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_21.PDB 6.70609 -8.77000 -1.37000 -4.73000 -9.05000 -1.50000 9.53000 -11.91000 1.30000 6.78000 3.83000 0.00000 0.00000 0.00000 0.14000 0.39000 0.00000 -0.72000 0.00000 -1.06000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_22.PDB 7.05254 -7.70000 -1.01000 -3.34000 -10.06000 -1.33000 10.80000 -13.13000 1.40000 6.67000 4.08000 0.00000 0.00000 0.00000 0.14000 0.37000 0.00000 -0.97000 0.00000 -0.95000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_23.PDB 6.15150 -6.97000 -1.38000 -4.00000 -9.01000 -1.26000 9.80000 -11.66000 1.78000 6.93000 3.59000 0.00000 0.00000 0.00000 0.10000 0.39000 0.00000 -1.00000 0.00000 -0.84000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_24.PDB 6.14432 -7.68000 -1.39000 -3.20000 -8.95000 -1.21000 9.52000 -11.95000 0.83000 6.51000 3.76000 0.00000 0.00000 0.00000 0.05000 0.31000 0.00000 -0.84000 0.00000 -0.81000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_25.PDB 6.23488 -8.03000 -2.13000 -3.91000 -8.60000 -1.09000 10.04000 -11.04000 0.76000 5.78000 3.57000 0.00000 0.00000 0.00000 0.07000 0.41000 0.00000 -0.76000 0.00000 -0.71000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_26.PDB 6.68089 -9.01000 -1.25000 -4.75000 -10.46000 -1.49000 11.07000 -13.71000 1.48000 7.37000 4.21000 0.00000 0.00000 0.00000 0.28000 0.45000 0.00000 -0.65000 0.00000 -1.10000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_27.PDB 6.48426 -8.09000 -1.45000 -4.45000 -9.42000 -1.44000 10.47000 -12.09000 0.81000 7.34000 3.85000 0.00000 0.00000 0.00000 0.11000 0.46000 0.00000 -0.84000 0.00000 -0.98000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_28.PDB 6.93733 -8.03000 -1.32000 -5.06000 -8.69000 -1.01000 9.99000 -11.02000 0.89000 6.39000 2.91000 0.00000 0.00000 0.00000 0.19000 0.31000 0.00000 -0.70000 0.00000 -0.60000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_29.PDB 5.97383 -8.61000 -2.27000 -5.20000 -9.06000 -1.33000 10.04000 -11.85000 2.04000 6.58000 3.57000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.52000 0.00000 -0.72000 0.00000 2.38000 64.00000 HSE1_1GCQ-19_30.PDB 6.24538 -7.14000 -1.43000 -3.30000 -9.21000 -1.19000 10.09000 -11.59000 0.83000 6.23000 3.90000 0.00000 0.00000 0.00000 0.12000 0.40000 0.00000 -0.65000 0.00000 -0.96000 0.00000 2.38000 64.00000