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-14_1.PDB -3.48000 -41.80000 -12.70000 -72.70000 -4.29000 87.51000 -95.22000 9.71000 36.77000 89.49000 0.00000 0.00000 0.00000 3.45000 20.03000 0.00000 -2.53000 0.00000 -1.15000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_2.PDB -2.73000 -42.09000 -12.84000 -72.38000 -4.28000 87.59000 -94.73000 10.44000 36.46000 88.61000 0.00000 0.00000 0.00000 3.86000 19.56000 0.00000 -2.18000 0.00000 -1.19000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_3.PDB -4.72000 -41.82000 -13.67000 -71.25000 -4.37000 87.28000 -92.95000 8.21000 36.84000 87.92000 0.00000 0.00000 0.00000 2.70000 19.56000 0.00000 -2.35000 0.00000 -1.27000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_4.PDB -3.48000 -41.86000 -12.87000 -69.97000 -4.06000 85.99000 -91.41000 8.80000 35.44000 87.19000 0.00000 0.00000 0.00000 2.60000 19.30000 0.00000 -2.12000 0.00000 -1.20000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_5.PDB -2.23000 -42.68000 -13.55000 -71.76000 -4.34000 87.56000 -93.58000 10.53000 36.33000 89.24000 0.00000 0.00000 0.00000 3.42000 19.62000 0.00000 -2.19000 0.00000 -1.22000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_6.PDB -1.91000 -41.10000 -12.39000 -71.24000 -4.19000 86.78000 -93.12000 8.66000 35.88000 89.00000 0.00000 0.00000 0.00000 3.06000 19.74000 0.00000 -2.12000 0.00000 -1.13000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_7.PDB -1.80000 -42.53000 -13.53000 -71.53000 -4.24000 87.52000 -92.83000 10.11000 36.39000 89.61000 0.00000 0.00000 0.00000 2.96000 19.43000 0.00000 -2.33000 0.00000 -1.39000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_8.PDB -2.84000 -41.69000 -12.50000 -72.53000 -4.38000 87.66000 -94.66000 9.56000 36.41000 89.42000 0.00000 0.00000 0.00000 3.45000 19.79000 0.00000 -2.36000 0.00000 -1.24000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_9.PDB -1.92000 -41.96000 -12.06000 -72.30000 -4.85000 88.57000 -93.73000 9.80000 36.51000 88.89000 0.00000 0.00000 0.00000 2.88000 19.64000 0.00000 -2.20000 0.00000 -1.46000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_10.PDB -3.12000 -42.33000 -12.81000 -70.44000 -4.29000 86.30000 -91.61000 9.93000 35.27000 87.57000 0.00000 0.00000 0.00000 2.69000 19.46000 0.00000 -2.03000 0.00000 -1.36000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_11.PDB -2.83000 -41.85000 -12.78000 -72.88000 -4.15000 87.81000 -95.25000 9.58000 36.87000 89.77000 0.00000 0.00000 0.00000 3.50000 20.07000 0.00000 -2.35000 0.00000 -1.11000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_12.PDB -4.01000 -41.08000 -12.09000 -70.29000 -4.55000 86.33000 -91.57000 7.86000 35.15000 87.40000 0.00000 0.00000 0.00000 2.66000 19.36000 0.00000 -2.39000 0.00000 -1.43000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_13.PDB -2.66000 -42.81000 -13.51000 -70.90000 -4.46000 87.89000 -91.72000 9.76000 36.59000 87.75000 0.00000 0.00000 0.00000 2.26000 19.42000 0.00000 -2.01000 0.00000 -1.52000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_14.PDB -3.93000 -41.14000 -12.82000 -71.78000 -4.50000 87.76000 -93.91000 8.11000 36.30000 88.66000 0.00000 0.00000 0.00000 3.24000 20.05000 0.00000 -2.63000 0.00000 -1.22000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_15.PDB -4.17000 -41.44000 -12.47000 -71.38000 -4.79000 86.59000 -93.04000 9.31000 35.88000 87.63000 0.00000 0.00000 0.00000 2.97000 19.50000 0.00000 -2.06000 0.00000 -1.37000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_16.PDB -3.98000 -41.53000 -12.50000 -70.33000 -4.62000 86.10000 -91.52000 8.32000 35.22000 87.89000 0.00000 0.00000 0.00000 2.23000 19.62000 0.00000 -2.03000 0.00000 -1.22000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_17.PDB -3.13000 -41.10000 -14.53000 -72.67000 -5.09000 89.98000 -94.38000 9.75000 36.97000 88.70000 0.00000 0.00000 0.00000 3.48000 20.18000 0.00000 -2.38000 0.00000 -1.87000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_18.PDB -4.46000 -42.00000 -15.38000 -71.12000 -5.13000 88.53000 -92.25000 8.30000 36.67000 88.47000 0.00000 0.00000 0.00000 3.58000 19.37000 0.00000 -2.22000 0.00000 -1.92000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_19.PDB -4.51000 -41.07000 -14.47000 -71.79000 -5.89000 89.10000 -92.74000 10.80000 36.53000 86.77000 0.00000 0.00000 0.00000 2.47000 19.60000 0.00000 -2.13000 0.00000 -2.10000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_20.PDB -2.23000 -41.76000 -13.48000 -71.72000 -4.28000 87.62000 -93.00000 9.15000 36.43000 89.96000 0.00000 0.00000 0.00000 2.54000 19.85000 0.00000 -2.22000 0.00000 -1.47000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_21.PDB -4.99000 -41.94000 -15.41000 -70.92000 -5.37000 89.16000 -91.51000 9.09000 36.36000 87.07000 0.00000 0.00000 0.00000 2.59000 19.60000 0.00000 -2.20000 0.00000 -1.93000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_22.PDB -3.57000 -41.80000 -12.53000 -72.74000 -4.62000 87.83000 -94.75000 9.60000 36.93000 89.42000 0.00000 0.00000 0.00000 3.32000 19.95000 0.00000 -2.85000 0.00000 -1.39000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_23.PDB -2.98000 -41.22000 -11.35000 -73.31000 -4.74000 88.60000 -95.28000 9.20000 36.67000 89.61000 0.00000 0.00000 0.00000 2.72000 19.76000 0.00000 -2.37000 0.00000 -1.51000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_24.PDB -3.48000 -41.50000 -12.38000 -71.92000 -4.08000 87.51000 -94.24000 8.18000 36.57000 88.72000 0.00000 0.00000 0.00000 3.21000 20.20000 0.00000 -2.43000 0.00000 -1.11000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_25.PDB -2.84000 -42.45000 -13.42000 -72.21000 -4.40000 87.58000 -94.23000 10.31000 36.81000 88.78000 0.00000 0.00000 0.00000 3.82000 19.69000 0.00000 -2.12000 0.00000 -1.31000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_26.PDB -1.30000 -41.72000 -12.02000 -71.98000 -3.90000 87.12000 -93.68000 10.09000 35.63000 90.38000 0.00000 0.00000 0.00000 2.36000 20.01000 0.00000 -2.52000 0.00000 -1.06000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_27.PDB -2.99000 -41.51000 -12.49000 -70.57000 -4.09000 86.13000 -91.84000 9.10000 35.30000 88.25000 0.00000 0.00000 0.00000 2.44000 19.85000 0.00000 -2.37000 0.00000 -1.35000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_28.PDB -0.68000 -42.57000 -12.76000 -72.62000 -3.94000 88.82000 -93.77000 9.89000 36.67000 89.94000 0.00000 0.00000 0.00000 2.86000 19.51000 0.00000 -2.19000 0.00000 -1.01000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_29.PDB -3.44000 -41.88000 -15.31000 -70.94000 -5.02000 88.91000 -91.96000 8.86000 36.33000 87.98000 0.00000 0.00000 0.00000 3.21000 19.49000 0.00000 -1.87000 0.00000 -1.74000 0.00000 0.00000 64.00000 HSE1_1GCQ-14_30.PDB -2.46000 -42.54000 -13.46000 -71.22000 -4.23000 87.44000 -92.63000 9.49000 36.39000 89.38000 0.00000 0.00000 0.00000 2.35000 19.35000 0.00000 -2.13000 0.00000 -1.30000 0.00000 0.00000 64.00000