name total energy Backbone Hbon 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-21_1.PDB 11.84000 -44.64000 -9.83000 -69.76000 -2.18000 85.68000 -90.79000 14.29000 34.28000 95.03000 0.00000 0.00000 0.00000 2.92000 24.59000 0.00000 -2.84000 0.00000 -0.32000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_2.PDB 10.76000 -45.02000 -10.12000 -69.12000 -2.30000 85.54000 -89.99000 11.69000 34.30000 94.71000 0.00000 0.00000 0.00000 4.03000 24.25000 0.00000 -2.66000 0.00000 -0.30000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_3.PDB 12.93000 -45.26000 -10.44000 -69.70000 -2.11000 85.83000 -91.07000 15.62000 34.41000 95.18000 0.00000 0.00000 0.00000 3.47000 24.48000 0.00000 -2.72000 0.00000 -0.29000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_4.PDB 9.95000 -44.56000 -9.71000 -69.33000 -2.12000 85.33000 -90.31000 11.47000 34.01000 94.86000 0.00000 0.00000 0.00000 3.23000 24.51000 0.00000 -2.67000 0.00000 -0.24000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_5.PDB 14.33000 -44.49000 -9.70000 -70.06000 -2.29000 86.38000 -91.17000 13.63000 34.52000 96.53000 0.00000 0.00000 0.00000 4.37000 24.73000 0.00000 -2.85000 0.00000 -0.56000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_6.PDB 10.12000 -44.95000 -9.95000 -68.67000 -2.27000 85.24000 -89.29000 11.44000 33.96000 94.34000 0.00000 0.00000 0.00000 3.34000 24.43000 0.00000 -2.69000 0.00000 -0.38000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_7.PDB 10.36000 -45.05000 -10.12000 -68.92000 -2.28000 85.18000 -89.94000 12.11000 34.34000 94.73000 0.00000 0.00000 0.00000 3.30000 24.46000 0.00000 -2.64000 0.00000 -0.35000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_8.PDB 14.04000 -44.54000 -10.96000 -70.58000 -2.13000 86.70000 -91.69000 14.28000 35.38000 96.97000 0.00000 0.00000 0.00000 3.86000 24.87000 0.00000 -2.91000 0.00000 -0.33000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_9.PDB 13.91000 -44.83000 -9.96000 -69.62000 -2.15000 86.12000 -90.65000 13.46000 34.35000 96.27000 0.00000 0.00000 0.00000 4.07000 24.55000 0.00000 -2.81000 0.00000 -0.33000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_10.PDB 14.65000 -45.03000 -10.20000 -69.60000 -2.37000 87.05000 -90.10000 11.54000 34.85000 97.16000 0.00000 0.00000 0.00000 4.54000 24.45000 0.00000 -2.73000 0.00000 -0.46000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_11.PDB 15.94000 -44.52000 -9.67000 -70.47000 -2.20000 86.62000 -92.08000 17.11000 34.61000 96.35000 0.00000 0.00000 0.00000 3.37000 24.86000 0.00000 -2.76000 0.00000 -0.42000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_12.PDB 12.75000 -44.52000 -9.74000 -69.02000 -2.14000 85.73000 -89.93000 13.09000 33.74000 94.91000 0.00000 0.00000 0.00000 3.78000 24.35000 0.00000 -2.81000 0.00000 -0.34000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_13.PDB 12.52000 -45.17000 -10.26000 -69.91000 -2.36000 86.00000 -91.01000 13.73000 34.87000 96.45000 0.00000 0.00000 0.00000 3.52000 24.65000 0.00000 -2.92000 0.00000 -0.42000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_14.PDB 11.20000 -45.97000 -12.76000 -70.78000 -3.45000 88.61000 -91.57000 14.39000 36.27000 95.33000 0.00000 0.00000 0.00000 5.27000 25.03000 0.00000 -3.08000 0.00000 -1.06000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_15.PDB 12.64000 -44.58000 -9.81000 -69.22000 -2.10000 86.08000 -90.24000 12.56000 33.83000 94.87000 0.00000 0.00000 0.00000 4.48000 24.52000 0.00000 -2.94000 0.00000 -0.29000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_16.PDB 15.29000 -45.17000 -10.28000 -69.96000 -2.16000 86.24000 -91.20000 14.58000 34.81000 96.74000 0.00000 0.00000 0.00000 4.86000 24.84000 0.00000 -2.85000 0.00000 -0.32000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_17.PDB 12.57000 -44.53000 -9.70000 -69.65000 -2.11000 85.48000 -90.65000 12.90000 34.35000 96.25000 0.00000 0.00000 0.00000 3.25000 24.60000 0.00000 -2.67000 0.00000 -0.37000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_18.PDB 13.45000 -44.24000 -9.37000 -69.05000 -2.33000 86.32000 -89.39000 10.41000 33.83000 96.34000 0.00000 0.00000 0.00000 4.04000 24.26000 0.00000 -2.79000 0.00000 -0.32000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_19.PDB 11.69000 -44.59000 -9.74000 -68.45000 -2.27000 85.35000 -89.07000 11.48000 33.36000 94.48000 0.00000 0.00000 0.00000 4.19000 24.24000 0.00000 -2.74000 0.00000 -0.29000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_20.PDB 16.03000 -44.38000 -9.57000 -69.36000 -2.13000 86.44000 -90.29000 14.71000 33.88000 96.05000 0.00000 0.00000 0.00000 3.55000 24.11000 0.00000 -2.54000 0.00000 -0.33000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_21.PDB 12.55000 -45.21000 -10.25000 -69.26000 -2.33000 86.34000 -89.85000 11.43000 34.70000 96.59000 0.00000 0.00000 0.00000 3.48000 24.21000 0.00000 -2.65000 0.00000 -0.45000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_22.PDB 14.01000 -44.59000 -9.83000 -68.76000 -2.04000 85.46000 -89.85000 13.72000 33.57000 94.50000 0.00000 0.00000 0.00000 4.79000 24.45000 0.00000 -2.70000 0.00000 -0.27000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_23.PDB 9.99000 -45.94000 -12.42000 -70.46000 -3.51000 88.29000 -91.02000 13.12000 35.88000 94.91000 0.00000 0.00000 0.00000 5.29000 24.90000 0.00000 -3.08000 0.00000 -1.05000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_24.PDB 11.74000 -43.84000 -8.96000 -68.45000 -2.23000 84.71000 -89.26000 11.38000 32.68000 94.33000 0.00000 0.00000 0.00000 4.48000 24.15000 0.00000 -2.73000 0.00000 -0.35000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_25.PDB 12.61000 -44.55000 -11.02000 -69.43000 -2.19000 85.82000 -90.18000 12.97000 34.64000 96.26000 0.00000 0.00000 0.00000 3.49000 24.60000 0.00000 -2.86000 0.00000 -0.34000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_26.PDB 14.39000 -45.15000 -10.24000 -69.50000 -2.21000 85.87000 -90.34000 14.55000 34.65000 96.64000 0.00000 0.00000 0.00000 3.29000 24.84000 0.00000 -2.81000 0.00000 -0.34000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_27.PDB 12.93000 -45.35000 -11.90000 -70.64000 -3.23000 87.80000 -92.02000 17.54000 35.55000 94.39000 0.00000 0.00000 0.00000 4.54000 24.88000 0.00000 -2.74000 0.00000 -0.98000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_28.PDB 14.81000 -44.75000 -9.97000 -69.26000 -2.08000 85.79000 -90.72000 16.53000 33.83000 94.43000 0.00000 0.00000 0.00000 3.87000 24.54000 0.00000 -2.58000 0.00000 -0.27000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_29.PDB 11.87000 -45.38000 -10.54000 -68.84000 -2.35000 85.98000 -89.38000 11.05000 34.56000 95.91000 0.00000 0.00000 0.00000 4.04000 24.08000 0.00000 -2.80000 0.00000 -0.38000 0.00000 0.00000 65.00000 HSE1_1GCQ-21_30.PDB 11.93000 -44.57000 -9.73000 -68.85000 -2.40000 85.92000 -89.21000 10.65000 34.05000 96.29000 0.00000 0.00000 0.00000 3.00000 24.15000 0.00000 -2.72000 0.00000 -0.50000 0.00000 0.00000 65.00000