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-28_1.PDB 2.15000 -41.60000 -13.29000 -71.68000 -2.19000 90.11000 -92.26000 8.06000 34.68000 90.99000 0.00000 0.00000 0.00000 3.00000 19.67000 0.00000 -3.22000 0.00000 -0.45000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_2.PDB 0.96000 -42.20000 -13.81000 -71.64000 -2.30000 90.11000 -91.98000 8.41000 35.59000 89.50000 0.00000 0.00000 0.00000 3.11000 19.17000 0.00000 -3.51000 0.00000 -0.32000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_3.PDB 1.12000 -41.50000 -13.82000 -71.48000 -2.56000 89.47000 -91.90000 8.48000 35.66000 90.03000 0.00000 0.00000 0.00000 2.96000 19.86000 0.00000 -3.35000 0.00000 -0.89000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_4.PDB 2.04000 -43.22000 -14.62000 -71.75000 -3.52000 91.47000 -91.36000 8.52000 36.12000 91.64000 0.00000 0.00000 0.00000 3.93000 19.42000 0.00000 -3.91000 0.00000 -1.27000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_5.PDB 1.63000 -43.56000 -13.74000 -72.36000 -4.15000 92.85000 -91.87000 9.20000 36.30000 90.03000 0.00000 0.00000 0.00000 3.58000 19.20000 0.00000 -3.39000 0.00000 -1.26000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_6.PDB 0.79000 -42.44000 -13.45000 -71.56000 -2.54000 89.78000 -91.82000 8.09000 36.02000 89.61000 0.00000 0.00000 0.00000 2.85000 19.34000 0.00000 -3.23000 0.00000 -0.52000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_7.PDB 2.32000 -41.59000 -13.24000 -71.89000 -2.27000 90.27000 -92.52000 8.33000 35.04000 90.91000 0.00000 0.00000 0.00000 3.00000 19.70000 0.00000 -3.27000 0.00000 -0.46000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_8.PDB 0.98000 -43.19000 -16.50000 -71.45000 -3.44000 91.12000 -90.87000 8.38000 36.45000 90.64000 0.00000 0.00000 0.00000 3.90000 19.80000 0.00000 -3.12000 0.00000 -0.94000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_9.PDB 0.23000 -42.87000 -16.25000 -73.02000 -5.00000 93.24000 -92.84000 9.32000 37.24000 91.77000 0.00000 0.00000 0.00000 2.94000 19.88000 0.00000 -2.73000 0.00000 -1.56000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_10.PDB -0.15000 -42.91000 -15.99000 -72.65000 -4.11000 92.19000 -92.54000 10.10000 36.69000 90.10000 0.00000 0.00000 0.00000 2.79000 19.41000 0.00000 -2.97000 0.00000 -0.85000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_11.PDB 0.85000 -41.50000 -15.90000 -71.65000 -2.51000 90.05000 -91.99000 8.69000 36.56000 89.97000 0.00000 0.00000 0.00000 3.05000 19.72000 0.00000 -3.32000 0.00000 -0.59000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_12.PDB 2.34000 -42.82000 -16.16000 -72.01000 -3.66000 92.63000 -91.55000 9.13000 36.74000 91.30000 0.00000 0.00000 0.00000 3.06000 19.69000 0.00000 -2.85000 0.00000 -1.48000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_13.PDB 1.78000 -41.86000 -11.91000 -70.44000 -2.17000 88.63000 -90.68000 7.77000 34.22000 89.16000 0.00000 0.00000 0.00000 2.91000 19.11000 0.00000 -3.07000 0.00000 -0.78000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_14.PDB 0.25000 -43.86000 -15.83000 -72.34000 -3.72000 92.75000 -91.67000 8.37000 37.44000 90.15000 0.00000 0.00000 0.00000 3.81000 19.30000 0.00000 -3.76000 0.00000 -1.11000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_15.PDB 1.51000 -41.59000 -16.06000 -72.46000 -4.28000 92.45000 -92.00000 8.80000 37.92000 91.04000 0.00000 0.00000 0.00000 3.16000 19.66000 0.00000 -3.95000 0.00000 -1.51000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_16.PDB 2.06000 -42.11000 -12.06000 -72.41000 -2.38000 90.52000 -93.22000 8.43000 35.09000 91.24000 0.00000 0.00000 0.00000 2.93000 19.68000 0.00000 -3.43000 0.00000 -0.54000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_17.PDB 1.26000 -42.28000 -12.90000 -72.07000 -2.37000 89.86000 -92.82000 9.19000 35.35000 89.60000 0.00000 0.00000 0.00000 3.29000 19.11000 0.00000 -3.21000 0.00000 -0.38000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_18.PDB 0.60000 -41.60000 -14.84000 -71.91000 -2.32000 89.72000 -92.52000 8.75000 35.90000 89.65000 0.00000 0.00000 0.00000 3.12000 18.63000 0.00000 -2.99000 0.00000 -0.36000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_19.PDB 0.78000 -41.58000 -12.67000 -71.30000 -2.16000 88.98000 -91.90000 9.17000 34.80000 88.12000 0.00000 0.00000 0.00000 2.66000 18.23000 0.00000 -3.06000 0.00000 -0.27000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_20.PDB -0.55000 -42.86000 -16.10000 -71.95000 -3.06000 90.54000 -92.07000 8.23000 36.52000 90.65000 0.00000 0.00000 0.00000 3.03000 20.20000 0.00000 -2.66000 0.00000 -0.82000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_21.PDB 2.36000 -41.96000 -13.79000 -70.46000 -2.58000 88.90000 -90.48000 8.53000 35.60000 90.04000 0.00000 0.00000 0.00000 2.63000 19.86000 0.00000 -2.67000 0.00000 -1.37000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_22.PDB 1.62000 -43.55000 -15.28000 -72.37000 -3.74000 92.13000 -91.90000 8.15000 37.01000 91.96000 0.00000 0.00000 0.00000 3.66000 19.74000 0.00000 -3.06000 0.00000 -1.40000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_23.PDB 1.48000 -42.10000 -12.09000 -71.67000 -2.30000 89.70000 -92.28000 8.15000 34.55000 90.37000 0.00000 0.00000 0.00000 2.97000 19.80000 0.00000 -3.27000 0.00000 -0.55000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_24.PDB 2.45000 -41.49000 -14.52000 -71.87000 -4.18000 91.59000 -91.26000 8.32000 36.67000 90.40000 0.00000 0.00000 0.00000 3.02000 20.18000 0.00000 -2.70000 0.00000 -1.52000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_25.PDB 1.12000 -42.62000 -14.16000 -71.57000 -3.18000 90.61000 -91.04000 8.22000 36.63000 89.81000 0.00000 0.00000 0.00000 2.81000 19.40000 0.00000 -3.48000 0.00000 -0.89000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_26.PDB 0.71000 -43.46000 -16.67000 -73.17000 -4.17000 93.28000 -93.25000 9.23000 37.30000 92.29000 0.00000 0.00000 0.00000 3.20000 19.95000 0.00000 -2.74000 0.00000 -1.14000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_27.PDB 0.61000 -42.29000 -12.32000 -71.18000 -2.28000 89.00000 -91.79000 8.41000 34.67000 89.44000 0.00000 0.00000 0.00000 2.64000 19.29000 0.00000 -3.32000 0.00000 -0.38000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_28.PDB 0.88000 -41.50000 -13.62000 -70.92000 -2.47000 88.39000 -91.41000 9.06000 35.13000 88.82000 0.00000 0.00000 0.00000 3.01000 18.66000 0.00000 -3.11000 0.00000 -0.49000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_29.PDB 1.29000 -43.49000 -14.22000 -72.07000 -5.22000 93.24000 -90.94000 9.97000 36.65000 89.80000 0.00000 0.00000 0.00000 2.88000 19.23000 0.00000 -3.24000 0.00000 -2.06000 0.00000 0.00000 65.00000 HSE1_1GCQ-28_30.PDB 3.03000 -41.94000 -15.95000 -71.44000 -3.96000 91.70000 -90.48000 8.50000 37.73000 91.01000 0.00000 0.00000 0.00000 3.25000 19.67000 0.00000 -3.34000 0.00000 -2.06000 0.00000 0.00000 65.00000