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-27_1.PDB 2.61000 -45.27000 -14.78000 -70.38000 -5.39000 89.18000 -89.11000 12.67000 36.97000 89.98000 0.00000 0.00000 0.00000 4.87000 17.40000 0.00000 -3.12000 0.00000 -2.99000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_2.PDB 3.46000 -44.70000 -16.73000 -69.89000 -5.44000 89.63000 -88.33000 11.64000 37.15000 89.77000 0.00000 0.00000 0.00000 6.03000 17.22000 0.00000 -2.67000 0.00000 -3.00000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_3.PDB 1.57000 -44.92000 -15.55000 -70.58000 -6.15000 90.47000 -89.02000 11.84000 37.23000 89.94000 0.00000 0.00000 0.00000 4.85000 17.33000 0.00000 -3.59000 0.00000 -2.96000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_4.PDB 3.87000 -44.68000 -17.18000 -70.00000 -5.78000 90.21000 -88.30000 12.53000 37.34000 89.63000 0.00000 0.00000 0.00000 5.41000 17.08000 0.00000 -2.51000 0.00000 -2.80000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_5.PDB 4.39000 -43.72000 -13.72000 -69.97000 -4.87000 88.25000 -88.77000 12.00000 36.75000 89.18000 0.00000 0.00000 0.00000 4.82000 17.19000 0.00000 -2.67000 0.00000 -2.90000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_6.PDB 5.22000 -44.15000 -16.73000 -69.76000 -4.95000 89.37000 -88.41000 12.12000 37.63000 89.75000 0.00000 0.00000 0.00000 5.57000 17.10000 0.00000 -2.62000 0.00000 -2.61000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_7.PDB 3.79000 -45.05000 -15.72000 -70.31000 -5.02000 89.71000 -89.05000 12.89000 37.51000 89.74000 0.00000 0.00000 0.00000 4.46000 17.21000 0.00000 -2.84000 0.00000 -2.52000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_8.PDB 5.89000 -42.81000 -11.80000 -68.73000 -5.13000 87.10000 -86.92000 11.60000 35.36000 88.43000 0.00000 0.00000 0.00000 4.96000 17.27000 0.00000 -3.65000 0.00000 -2.52000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_9.PDB 3.02000 -44.99000 -15.69000 -69.59000 -5.84000 90.23000 -87.72000 12.07000 36.97000 88.63000 0.00000 0.00000 0.00000 5.24000 17.15000 0.00000 -3.46000 0.00000 -2.83000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_10.PDB 2.78000 -45.39000 -15.46000 -70.01000 -5.47000 89.00000 -88.58000 13.59000 36.34000 89.37000 0.00000 0.00000 0.00000 5.46000 17.31000 0.00000 -3.09000 0.00000 -2.98000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_11.PDB 3.69000 -44.48000 -14.73000 -69.37000 -5.14000 88.40000 -87.97000 12.56000 36.74000 88.87000 0.00000 0.00000 0.00000 4.67000 17.20000 0.00000 -3.24000 0.00000 -2.63000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_12.PDB 1.69000 -44.44000 -14.33000 -69.92000 -5.75000 89.26000 -88.30000 11.96000 36.06000 88.78000 0.00000 0.00000 0.00000 4.86000 17.35000 0.00000 -3.31000 0.00000 -3.18000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_13.PDB 3.69000 -45.43000 -14.92000 -68.91000 -4.90000 88.24000 -87.20000 12.45000 36.79000 88.68000 0.00000 0.00000 0.00000 4.47000 17.25000 0.00000 -2.67000 0.00000 -2.91000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_14.PDB 4.17000 -45.12000 -15.17000 -70.30000 -5.76000 90.60000 -88.45000 13.00000 36.94000 88.53000 0.00000 0.00000 0.00000 5.18000 17.19000 0.00000 -2.52000 0.00000 -2.74000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_15.PDB 2.65000 -45.41000 -15.64000 -70.46000 -5.28000 90.29000 -88.95000 13.20000 37.32000 88.93000 0.00000 0.00000 0.00000 4.67000 17.29000 0.00000 -3.33000 0.00000 -2.69000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_16.PDB 4.52000 -45.05000 -13.64000 -69.27000 -5.21000 89.04000 -87.43000 12.21000 36.64000 88.60000 0.00000 0.00000 0.00000 4.58000 17.23000 0.00000 -2.91000 0.00000 -3.05000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_17.PDB 3.58000 -44.28000 -14.02000 -70.49000 -4.87000 89.01000 -89.27000 12.44000 36.08000 90.49000 0.00000 0.00000 0.00000 4.77000 17.28000 0.00000 -3.21000 0.00000 -3.05000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_18.PDB 5.15000 -45.11000 -14.46000 -70.92000 -4.82000 90.46000 -89.54000 12.29000 37.27000 90.86000 0.00000 0.00000 0.00000 5.28000 17.27000 0.00000 -3.57000 0.00000 -2.58000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_19.PDB 4.01000 -44.82000 -13.45000 -70.85000 -5.67000 90.25000 -89.16000 11.93000 36.83000 90.19000 0.00000 0.00000 0.00000 4.98000 17.60000 0.00000 -3.04000 0.00000 -3.19000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_20.PDB 6.84000 -42.71000 -13.40000 -68.80000 -4.46000 87.50000 -87.08000 12.55000 35.13000 88.81000 0.00000 0.00000 0.00000 4.32000 17.22000 0.00000 -2.84000 0.00000 -2.18000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_21.PDB 1.82000 -44.71000 -15.33000 -70.11000 -4.99000 89.40000 -88.47000 12.12000 36.30000 88.50000 0.00000 0.00000 0.00000 4.83000 17.51000 0.00000 -3.03000 0.00000 -2.68000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_22.PDB 2.51000 -44.86000 -17.24000 -70.23000 -5.53000 90.46000 -88.58000 12.08000 37.22000 89.70000 0.00000 0.00000 0.00000 5.35000 17.21000 0.00000 -3.32000 0.00000 -2.56000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_23.PDB 2.58000 -44.25000 -12.90000 -71.08000 -5.28000 89.25000 -90.23000 11.89000 36.47000 89.93000 0.00000 0.00000 0.00000 5.04000 17.41000 0.00000 -3.15000 0.00000 -3.12000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_24.PDB 5.28000 -45.02000 -16.15000 -70.28000 -5.21000 90.74000 -88.74000 12.97000 37.12000 89.79000 0.00000 0.00000 0.00000 5.70000 17.24000 0.00000 -3.01000 0.00000 -2.63000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_25.PDB 4.31000 -44.66000 -15.64000 -69.33000 -5.10000 89.16000 -87.94000 11.84000 36.68000 89.78000 0.00000 0.00000 0.00000 5.27000 17.09000 0.00000 -3.20000 0.00000 -2.54000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_26.PDB 1.29000 -45.67000 -16.81000 -71.76000 -6.41000 92.44000 -89.78000 12.32000 38.32000 90.12000 0.00000 0.00000 0.00000 5.23000 17.61000 0.00000 -3.57000 0.00000 -3.14000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_27.PDB 4.35000 -44.46000 -13.82000 -69.77000 -5.06000 89.04000 -88.26000 12.12000 36.27000 89.18000 0.00000 0.00000 0.00000 4.63000 17.18000 0.00000 -2.77000 0.00000 -2.73000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_28.PDB 2.21000 -44.78000 -14.68000 -71.04000 -5.51000 90.27000 -89.68000 12.03000 37.02000 90.09000 0.00000 0.00000 0.00000 5.13000 17.38000 0.00000 -3.55000 0.00000 -3.09000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_29.PDB 5.19000 -44.42000 -13.73000 -69.95000 -5.04000 89.36000 -88.51000 12.79000 36.63000 89.77000 0.00000 0.00000 0.00000 3.94000 17.16000 0.00000 -3.11000 0.00000 -2.54000 0.00000 0.00000 64.00000 HSE1_1GCQ-27_30.PDB 3.54000 -44.30000 -16.60000 -69.87000 -5.04000 89.41000 -88.23000 13.40000 36.60000 89.05000 0.00000 0.00000 0.00000 4.97000 17.05000 0.00000 -3.08000 0.00000 -2.75000 0.00000 0.00000 64.00000