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-15_1.PDB -1.44000 -41.19000 -14.78000 -69.51000 -5.14000 85.95000 -89.80000 8.93000 36.91000 88.24000 0.00000 0.00000 0.00000 3.40000 18.52000 0.00000 -2.14000 0.00000 -2.33000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_2.PDB -3.24000 -40.89000 -12.86000 -71.56000 -5.22000 86.95000 -92.81000 8.76000 36.73000 88.93000 0.00000 0.00000 0.00000 3.31000 19.14000 0.00000 -2.50000 0.00000 -2.07000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_3.PDB -2.86000 -40.61000 -13.71000 -71.56000 -5.07000 86.70000 -92.67000 9.59000 36.66000 89.00000 0.00000 0.00000 0.00000 3.20000 19.12000 0.00000 -2.28000 0.00000 -2.11000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_4.PDB -2.75000 -42.32000 -15.46000 -71.96000 -5.08000 88.63000 -92.63000 9.90000 38.18000 89.27000 0.00000 0.00000 0.00000 3.20000 19.08000 0.00000 -2.31000 0.00000 -2.18000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_5.PDB -3.55000 -41.43000 -14.32000 -70.50000 -5.34000 86.20000 -90.89000 9.44000 36.96000 88.33000 0.00000 0.00000 0.00000 2.36000 18.76000 0.00000 -2.15000 0.00000 -2.20000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_6.PDB -3.34000 -40.59000 -14.06000 -71.32000 -5.13000 86.72000 -92.54000 9.75000 36.79000 88.42000 0.00000 0.00000 0.00000 3.16000 19.16000 0.00000 -2.44000 0.00000 -2.09000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_7.PDB -0.45000 -42.74000 -15.43000 -71.43000 -5.14000 88.93000 -91.93000 10.32000 38.11000 89.21000 0.00000 0.00000 0.00000 4.14000 18.85000 0.00000 -2.31000 0.00000 -2.20000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_8.PDB -1.19000 -43.21000 -15.83000 -71.03000 -5.50000 88.83000 -91.18000 9.57000 38.13000 89.70000 0.00000 0.00000 0.00000 4.13000 18.95000 0.00000 -1.86000 0.00000 -2.93000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_9.PDB -2.09000 -41.28000 -14.05000 -69.89000 -4.83000 86.06000 -90.27000 9.74000 35.66000 88.32000 0.00000 0.00000 0.00000 2.66000 18.87000 0.00000 -2.35000 0.00000 -1.86000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_10.PDB -2.18000 -40.85000 -13.92000 -70.69000 -5.08000 86.63000 -91.57000 9.40000 36.74000 88.62000 0.00000 0.00000 0.00000 3.12000 18.49000 0.00000 -2.30000 0.00000 -2.27000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_11.PDB 1.05000 -41.13000 -13.67000 -70.32000 -5.13000 86.82000 -90.85000 10.97000 36.25000 88.56000 0.00000 0.00000 0.00000 4.23000 18.77000 0.00000 -2.44000 0.00000 -2.22000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_12.PDB -3.19000 -40.57000 -13.91000 -69.93000 -5.10000 85.40000 -90.40000 9.77000 35.95000 87.99000 0.00000 0.00000 0.00000 2.06000 18.77000 0.00000 -2.29000 0.00000 -2.14000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_13.PDB -0.94000 -42.37000 -15.55000 -70.84000 -5.14000 87.95000 -90.81000 9.19000 38.12000 89.78000 0.00000 0.00000 0.00000 3.53000 18.88000 0.00000 -2.47000 0.00000 -2.33000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_14.PDB 1.19000 -40.85000 -12.25000 -68.92000 -3.94000 84.81000 -89.33000 9.40000 34.82000 89.00000 0.00000 0.00000 0.00000 2.37000 19.05000 0.00000 -2.35000 0.00000 -1.57000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_15.PDB -2.74000 -40.84000 -14.12000 -71.65000 -5.99000 87.69000 -92.09000 10.29000 36.94000 89.17000 0.00000 0.00000 0.00000 2.74000 19.10000 0.00000 -2.28000 0.00000 -2.60000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_16.PDB -5.38000 -42.53000 -14.68000 -71.34000 -5.41000 88.07000 -91.72000 8.58000 37.66000 88.95000 0.00000 0.00000 0.00000 2.20000 18.94000 0.00000 -2.43000 0.00000 -2.74000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_17.PDB -1.49000 -40.54000 -12.49000 -70.38000 -4.85000 85.83000 -90.72000 9.22000 35.60000 88.61000 0.00000 0.00000 0.00000 2.52000 18.74000 0.00000 -2.30000 0.00000 -1.99000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_18.PDB -1.21000 -42.89000 -15.30000 -69.53000 -5.09000 87.22000 -89.49000 9.67000 37.20000 88.28000 0.00000 0.00000 0.00000 3.14000 18.63000 0.00000 -2.18000 0.00000 -2.22000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_19.PDB -3.19000 -40.73000 -13.68000 -71.40000 -5.24000 87.23000 -92.07000 8.70000 36.43000 89.03000 0.00000 0.00000 0.00000 3.20000 19.34000 0.00000 -2.63000 0.00000 -2.04000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_20.PDB -4.11000 -40.67000 -14.30000 -70.56000 -5.21000 86.54000 -91.15000 9.19000 36.09000 88.22000 0.00000 0.00000 0.00000 2.15000 18.75000 0.00000 -2.32000 0.00000 -2.07000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_21.PDB -4.11000 -40.39000 -13.52000 -71.08000 -5.23000 86.57000 -91.88000 8.86000 36.46000 88.43000 0.00000 0.00000 0.00000 2.22000 18.76000 0.00000 -2.35000 0.00000 -2.20000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_22.PDB -3.14000 -40.63000 -12.94000 -70.78000 -4.84000 85.65000 -91.48000 8.85000 36.15000 88.58000 0.00000 0.00000 0.00000 2.47000 18.92000 0.00000 -2.26000 0.00000 -1.89000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_23.PDB -0.59000 -41.03000 -13.13000 -69.14000 -4.98000 85.22000 -89.48000 9.88000 35.45000 87.86000 0.00000 0.00000 0.00000 2.95000 18.62000 0.00000 -2.15000 0.00000 -2.05000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_24.PDB -2.22000 -40.62000 -13.09000 -69.11000 -4.85000 84.10000 -89.43000 10.02000 35.07000 87.56000 0.00000 0.00000 0.00000 2.23000 18.73000 0.00000 -2.24000 0.00000 -1.84000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_25.PDB -2.76000 -40.55000 -13.48000 -71.28000 -5.53000 87.21000 -91.87000 8.92000 36.71000 89.19000 0.00000 0.00000 0.00000 2.63000 18.81000 0.00000 -2.33000 0.00000 -2.38000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_26.PDB -2.68000 -40.53000 -13.66000 -71.05000 -5.33000 86.48000 -91.89000 9.55000 36.60000 88.66000 0.00000 0.00000 0.00000 3.39000 18.95000 0.00000 -2.53000 0.00000 -2.36000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_27.PDB -3.07000 -41.09000 -13.49000 -70.67000 -4.94000 86.08000 -91.09000 9.24000 36.30000 88.49000 0.00000 0.00000 0.00000 2.51000 18.94000 0.00000 -2.38000 0.00000 -2.03000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_28.PDB -0.40000 -42.87000 -14.94000 -69.57000 -4.76000 86.30000 -89.34000 9.11000 37.85000 89.51000 0.00000 0.00000 0.00000 2.60000 18.98000 0.00000 -2.23000 0.00000 -2.06000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_29.PDB -0.81000 -41.55000 -13.77000 -68.73000 -4.93000 84.89000 -88.86000 9.88000 35.85000 87.65000 0.00000 0.00000 0.00000 3.11000 18.73000 0.00000 -2.18000 0.00000 -2.18000 0.00000 0.00000 64.00000 HSE1_1GCQ-15_30.PDB -1.09000 -40.87000 -14.39000 -69.79000 -5.13000 86.27000 -90.25000 9.30000 36.40000 87.98000 0.00000 0.00000 0.00000 3.68000 18.87000 0.00000 -2.12000 0.00000 -2.19000 0.00000 0.00000 64.00000