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-9_1.PDB -6.14000 -40.24000 -17.25000 -68.04000 -4.96000 85.30000 -87.21000 8.23000 35.78000 83.85000 0.00000 0.00000 0.00000 2.52000 16.10000 0.00000 -2.05000 0.00000 -2.06000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_2.PDB -4.48000 -40.64000 -16.25000 -69.03000 -4.05000 84.43000 -89.00000 10.40000 35.51000 85.25000 0.00000 0.00000 0.00000 2.33000 16.37000 0.00000 -1.97000 0.00000 -1.47000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_3.PDB -6.86000 -40.48000 -16.71000 -68.94000 -4.47000 85.45000 -88.30000 8.11000 36.17000 84.87000 0.00000 0.00000 0.00000 2.44000 16.21000 0.00000 -3.18000 0.00000 -1.85000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_4.PDB -4.99000 -40.89000 -16.88000 -67.64000 -4.60000 84.49000 -86.58000 7.94000 35.89000 85.07000 0.00000 0.00000 0.00000 2.73000 16.12000 0.00000 -2.56000 0.00000 -1.93000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_5.PDB -6.12000 -40.65000 -17.29000 -69.52000 -4.70000 85.55000 -89.02000 8.05000 36.77000 85.93000 0.00000 0.00000 0.00000 2.94000 16.44000 0.00000 -2.37000 0.00000 -1.81000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_6.PDB -6.07000 -40.58000 -17.42000 -69.34000 -4.45000 85.15000 -89.00000 10.06000 36.49000 85.25000 0.00000 0.00000 0.00000 2.48000 16.40000 0.00000 -2.98000 0.00000 -1.74000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_7.PDB -5.14000 -42.20000 -14.04000 -68.60000 -4.62000 83.93000 -88.15000 9.16000 34.97000 86.04000 0.00000 0.00000 0.00000 2.50000 16.26000 0.00000 -2.41000 0.00000 -1.71000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_8.PDB -1.26000 -41.59000 -13.79000 -68.71000 -5.04000 85.06000 -88.14000 10.84000 35.42000 87.11000 0.00000 0.00000 0.00000 2.73000 16.33000 0.00000 -2.99000 0.00000 -2.16000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_9.PDB -4.09000 -40.44000 -13.27000 -67.81000 -3.83000 82.64000 -88.33000 9.76000 34.12000 83.94000 0.00000 0.00000 0.00000 2.26000 16.05000 0.00000 -1.93000 0.00000 -1.20000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_10.PDB -5.29000 -40.86000 -17.90000 -70.12000 -5.28000 87.91000 -89.12000 8.12000 37.20000 86.63000 0.00000 0.00000 0.00000 2.56000 16.36000 0.00000 -2.33000 0.00000 -2.11000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_11.PDB -5.48000 -40.72000 -13.98000 -68.66000 -4.37000 84.00000 -89.14000 8.51000 34.78000 85.06000 0.00000 0.00000 0.00000 2.57000 16.12000 0.00000 -2.14000 0.00000 -1.40000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_12.PDB -6.07000 -40.59000 -14.97000 -67.97000 -4.45000 83.83000 -88.09000 8.18000 35.86000 83.85000 0.00000 0.00000 0.00000 2.36000 16.24000 0.00000 -2.61000 0.00000 -1.46000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_13.PDB -5.79000 -41.00000 -17.67000 -68.34000 -4.96000 84.95000 -87.29000 8.11000 36.85000 85.91000 0.00000 0.00000 0.00000 3.06000 16.22000 0.00000 -3.26000 0.00000 -2.14000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_14.PDB -4.40000 -40.45000 -14.76000 -68.91000 -4.40000 84.64000 -89.19000 9.13000 36.25000 85.12000 0.00000 0.00000 0.00000 2.27000 16.18000 0.00000 -2.65000 0.00000 -1.46000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_15.PDB -7.58000 -40.51000 -18.62000 -69.90000 -5.18000 86.51000 -89.20000 8.34000 37.68000 86.06000 0.00000 0.00000 0.00000 2.82000 16.58000 0.00000 -3.33000 0.00000 -2.26000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_16.PDB -4.67000 -42.32000 -15.27000 -70.15000 -5.86000 87.62000 -89.04000 8.35000 36.60000 88.31000 0.00000 0.00000 0.00000 2.83000 16.43000 0.00000 -3.90000 0.00000 -1.83000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_17.PDB -6.14000 -40.67000 -13.93000 -68.46000 -4.08000 82.60000 -88.96000 8.08000 34.90000 84.76000 0.00000 0.00000 0.00000 2.69000 16.26000 0.00000 -1.89000 0.00000 -1.18000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_18.PDB -4.17000 -41.09000 -14.25000 -67.64000 -4.47000 82.80000 -87.78000 10.31000 34.90000 84.85000 0.00000 0.00000 0.00000 2.53000 16.17000 0.00000 -2.74000 0.00000 -1.59000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_19.PDB -5.92000 -40.68000 -13.91000 -68.99000 -4.02000 83.19000 -89.64000 8.21000 35.03000 85.80000 0.00000 0.00000 0.00000 2.62000 16.25000 0.00000 -2.34000 0.00000 -1.18000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_20.PDB -4.02000 -42.81000 -15.76000 -68.35000 -4.94000 85.96000 -87.18000 8.15000 36.25000 87.09000 0.00000 0.00000 0.00000 2.49000 16.18000 0.00000 -2.82000 0.00000 -2.12000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_21.PDB -3.47000 -40.59000 -13.82000 -68.51000 -3.90000 83.62000 -89.34000 10.62000 34.33000 85.05000 0.00000 0.00000 0.00000 2.22000 16.10000 0.00000 -2.02000 0.00000 -1.13000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_22.PDB -7.58000 -39.71000 -15.50000 -67.51000 -4.21000 83.10000 -87.00000 8.12000 34.43000 82.53000 0.00000 0.00000 0.00000 2.29000 16.34000 0.00000 -2.50000 0.00000 -1.64000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_23.PDB -7.13000 -39.97000 -15.97000 -69.19000 -4.50000 84.37000 -89.13000 10.15000 35.36000 83.76000 0.00000 0.00000 0.00000 2.09000 16.39000 0.00000 -2.47000 0.00000 -1.63000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_24.PDB -4.77000 -41.56000 -18.43000 -69.26000 -5.43000 87.43000 -87.57000 8.54000 37.59000 86.51000 0.00000 0.00000 0.00000 2.87000 16.12000 0.00000 -3.01000 0.00000 -2.45000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_25.PDB -5.59000 -41.19000 -13.84000 -68.83000 -4.37000 83.91000 -89.00000 8.52000 34.99000 85.11000 0.00000 0.00000 0.00000 2.49000 16.18000 0.00000 -1.99000 0.00000 -1.39000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_26.PDB -2.36000 -40.82000 -14.09000 -68.62000 -4.61000 83.94000 -88.97000 10.61000 35.22000 86.37000 0.00000 0.00000 0.00000 2.60000 16.27000 0.00000 -2.39000 0.00000 -1.61000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_27.PDB -5.74000 -41.68000 -16.74000 -69.27000 -4.48000 85.77000 -88.45000 8.32000 36.86000 86.20000 0.00000 0.00000 0.00000 2.77000 16.36000 0.00000 -3.19000 0.00000 -1.85000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_28.PDB -3.58000 -41.23000 -17.44000 -70.10000 -5.02000 88.21000 -88.79000 8.60000 37.30000 87.50000 0.00000 0.00000 0.00000 2.85000 16.37000 0.00000 -3.26000 0.00000 -2.21000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_29.PDB -3.68000 -40.97000 -12.10000 -68.86000 -3.96000 83.43000 -89.33000 8.44000 34.59000 86.17000 0.00000 0.00000 0.00000 2.52000 16.23000 0.00000 -2.40000 0.00000 -1.23000 0.00000 0.00000 63.00000 HSE1_1GCQ-9_30.PDB -5.65000 -40.63000 -16.44000 -68.56000 -4.49000 84.74000 -88.46000 8.17000 36.47000 84.79000 0.00000 0.00000 0.00000 2.50000 16.25000 0.00000 -2.11000 0.00000 -1.63000 0.00000 0.00000 63.00000