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-29_1.PDB -6.78000 -43.23000 -12.58000 -69.87000 -5.63000 85.43000 -89.66000 9.53000 35.48000 86.31000 0.00000 0.00000 0.00000 2.45000 17.45000 0.00000 -2.30000 0.00000 -2.71000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_2.PDB -8.46000 -45.33000 -14.00000 -69.12000 -5.21000 85.10000 -88.67000 8.89000 36.53000 86.38000 0.00000 0.00000 0.00000 2.43000 17.26000 0.00000 -2.93000 0.00000 -2.53000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_3.PDB -6.11000 -42.57000 -11.90000 -69.47000 -6.06000 85.19000 -89.12000 9.35000 35.80000 85.64000 0.00000 0.00000 0.00000 2.60000 17.19000 0.00000 -2.61000 0.00000 -2.96000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_4.PDB -8.53000 -43.02000 -12.30000 -69.39000 -5.67000 84.62000 -89.15000 8.61000 35.25000 85.17000 0.00000 0.00000 0.00000 2.52000 17.20000 0.00000 -2.54000 0.00000 -2.62000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_5.PDB -4.60000 -42.76000 -12.34000 -70.48000 -6.03000 87.01000 -90.33000 9.23000 36.22000 87.45000 0.00000 0.00000 0.00000 2.65000 17.25000 0.00000 -2.31000 0.00000 -2.90000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_6.PDB -5.79000 -43.46000 -12.92000 -69.26000 -5.50000 85.31000 -88.90000 9.14000 36.14000 86.18000 0.00000 0.00000 0.00000 2.47000 17.07000 0.00000 -2.36000 0.00000 -2.64000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_7.PDB -5.49000 -42.74000 -12.23000 -69.00000 -5.53000 84.41000 -88.71000 9.17000 35.44000 86.50000 0.00000 0.00000 0.00000 2.48000 17.18000 0.00000 -2.65000 0.00000 -2.63000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_8.PDB -7.37000 -43.28000 -12.63000 -69.50000 -5.79000 85.07000 -89.16000 9.27000 35.23000 86.10000 0.00000 0.00000 0.00000 2.51000 17.24000 0.00000 -2.42000 0.00000 -2.76000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_9.PDB -6.41000 -42.92000 -12.30000 -69.51000 -5.50000 84.97000 -89.28000 8.71000 35.31000 86.38000 0.00000 0.00000 0.00000 2.55000 17.29000 0.00000 -2.11000 0.00000 -2.71000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_10.PDB -7.91000 -43.22000 -12.69000 -69.94000 -5.46000 85.33000 -89.88000 8.98000 36.21000 85.18000 0.00000 0.00000 0.00000 2.37000 17.31000 0.00000 -2.28000 0.00000 -2.50000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_11.PDB -7.03000 -44.53000 -13.88000 -69.94000 -5.73000 85.81000 -89.72000 9.11000 36.76000 87.82000 0.00000 0.00000 0.00000 2.49000 17.24000 0.00000 -2.55000 0.00000 -2.68000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_12.PDB -6.07000 -43.63000 -12.87000 -69.61000 -5.48000 85.84000 -89.16000 9.09000 35.77000 86.37000 0.00000 0.00000 0.00000 2.55000 17.31000 0.00000 -2.25000 0.00000 -2.68000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_13.PDB -5.21000 -42.31000 -11.74000 -69.34000 -5.76000 84.92000 -89.15000 8.72000 35.33000 86.62000 0.00000 0.00000 0.00000 2.41000 17.19000 0.00000 -2.20000 0.00000 -2.72000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_14.PDB -6.87000 -42.67000 -12.08000 -70.24000 -6.09000 85.93000 -90.08000 9.27000 35.96000 85.94000 0.00000 0.00000 0.00000 2.38000 17.24000 0.00000 -2.32000 0.00000 -2.86000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_15.PDB -7.12000 -43.21000 -12.57000 -69.63000 -5.94000 85.57000 -89.24000 9.44000 35.57000 86.16000 0.00000 0.00000 0.00000 2.44000 17.21000 0.00000 -2.68000 0.00000 -3.03000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_16.PDB -6.96000 -43.13000 -12.44000 -69.06000 -5.56000 84.24000 -88.85000 8.93000 35.14000 86.10000 0.00000 0.00000 0.00000 2.73000 17.22000 0.00000 -2.42000 0.00000 -2.63000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_17.PDB -6.17000 -43.90000 -12.54000 -69.68000 -5.37000 85.57000 -89.53000 8.65000 35.74000 87.37000 0.00000 0.00000 0.00000 2.68000 17.20000 0.00000 -2.52000 0.00000 -2.64000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_18.PDB -7.47000 -45.14000 -13.83000 -69.33000 -5.10000 85.59000 -89.03000 9.79000 35.87000 85.99000 0.00000 0.00000 0.00000 2.66000 17.17000 0.00000 -2.66000 0.00000 -2.29000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_19.PDB -6.21000 -43.06000 -12.40000 -68.88000 -5.60000 84.29000 -88.52000 8.48000 35.14000 86.93000 0.00000 0.00000 0.00000 2.57000 17.22000 0.00000 -2.56000 0.00000 -2.61000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_20.PDB -5.76000 -45.04000 -14.37000 -70.72000 -5.60000 87.49000 -89.91000 9.68000 37.57000 87.73000 0.00000 0.00000 0.00000 2.66000 17.62000 0.00000 -2.60000 0.00000 -2.66000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_21.PDB -7.01000 -42.38000 -11.72000 -70.20000 -6.15000 85.69000 -90.15000 9.11000 35.64000 85.96000 0.00000 0.00000 0.00000 2.35000 17.09000 0.00000 -2.44000 0.00000 -2.73000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_22.PDB -6.68000 -43.30000 -12.65000 -69.38000 -5.77000 84.94000 -89.03000 9.04000 35.22000 86.13000 0.00000 0.00000 0.00000 3.10000 17.22000 0.00000 -2.23000 0.00000 -2.73000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_23.PDB -4.57000 -42.93000 -12.45000 -70.28000 -5.58000 86.08000 -90.23000 9.21000 36.29000 88.05000 0.00000 0.00000 0.00000 2.50000 17.22000 0.00000 -2.49000 0.00000 -2.73000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_24.PDB -6.56000 -42.20000 -11.77000 -69.76000 -6.76000 85.76000 -89.29000 9.09000 35.40000 85.52000 0.00000 0.00000 0.00000 2.64000 17.19000 0.00000 -2.35000 0.00000 -2.83000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_25.PDB -6.30000 -44.15000 -13.49000 -69.50000 -5.59000 85.31000 -89.12000 8.84000 36.06000 88.13000 0.00000 0.00000 0.00000 2.32000 17.28000 0.00000 -2.52000 0.00000 -2.59000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_26.PDB -7.85000 -44.11000 -12.70000 -68.85000 -4.73000 84.10000 -88.73000 9.09000 35.36000 85.09000 0.00000 0.00000 0.00000 2.36000 17.06000 0.00000 -2.36000 0.00000 -2.38000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_27.PDB -6.38000 -44.17000 -12.85000 -70.18000 -5.22000 85.88000 -90.10000 9.14000 35.84000 87.68000 0.00000 0.00000 0.00000 2.85000 17.28000 0.00000 -2.68000 0.00000 -2.57000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_28.PDB -5.18000 -43.04000 -12.53000 -69.27000 -5.53000 84.73000 -88.88000 9.20000 35.70000 87.02000 0.00000 0.00000 0.00000 2.50000 17.20000 0.00000 -2.28000 0.00000 -2.80000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_29.PDB -7.09000 -41.69000 -11.05000 -69.90000 -6.49000 84.07000 -89.95000 9.99000 34.66000 85.07000 0.00000 0.00000 0.00000 2.61000 17.26000 0.00000 -1.97000 0.00000 -2.46000 0.00000 0.00000 65.00000 HSE1_1GCQ-29_30.PDB -6.76000 -43.05000 -12.45000 -69.14000 -5.72000 84.68000 -88.78000 8.93000 35.86000 85.75000 0.00000 0.00000 0.00000 2.36000 17.10000 0.00000 -2.49000 0.00000 -2.71000 0.00000 0.00000 65.00000