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-19_1.PDB 5.13000 -41.74000 -14.72000 -68.47000 -3.87000 84.01000 -88.32000 12.29000 35.85000 90.99000 0.00000 0.00000 0.00000 3.40000 17.04000 0.00000 -3.13000 0.00000 -1.15000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_2.PDB 3.49000 -42.45000 -15.75000 -69.04000 -3.92000 85.11000 -88.90000 12.13000 35.89000 91.64000 0.00000 0.00000 0.00000 2.78000 17.18000 0.00000 -2.80000 0.00000 -1.21000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_3.PDB 6.75000 -41.98000 -12.44000 -68.87000 -3.76000 84.86000 -88.80000 13.19000 34.97000 90.97000 0.00000 0.00000 0.00000 2.56000 17.02000 0.00000 -2.73000 0.00000 -1.23000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_4.PDB 5.98000 -41.72000 -12.94000 -68.32000 -3.97000 83.79000 -88.23000 12.16000 35.20000 91.85000 0.00000 0.00000 0.00000 2.46000 16.94000 0.00000 -3.04000 0.00000 -1.23000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_5.PDB 5.61000 -41.72000 -14.81000 -67.82000 -3.48000 83.11000 -87.67000 12.43000 35.76000 90.82000 0.00000 0.00000 0.00000 2.61000 16.93000 0.00000 -2.91000 0.00000 -0.71000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_6.PDB 5.37000 -42.69000 -14.06000 -68.81000 -4.37000 85.14000 -88.58000 13.74000 35.11000 90.77000 0.00000 0.00000 0.00000 2.53000 17.10000 0.00000 -2.45000 0.00000 -0.97000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_7.PDB 5.93000 -41.23000 -13.74000 -67.97000 -3.66000 83.50000 -87.72000 11.57000 35.17000 90.49000 0.00000 0.00000 0.00000 3.07000 17.02000 0.00000 -2.68000 0.00000 -0.87000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_8.PDB 4.64000 -42.14000 -15.19000 -69.12000 -4.17000 85.36000 -88.74000 13.93000 35.40000 90.47000 0.00000 0.00000 0.00000 2.73000 17.30000 0.00000 -2.63000 0.00000 -1.26000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_9.PDB 4.88000 -41.17000 -13.27000 -68.11000 -4.05000 83.89000 -88.16000 12.08000 35.00000 90.62000 0.00000 0.00000 0.00000 1.93000 16.85000 0.00000 -2.71000 0.00000 -1.17000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_10.PDB 4.29000 -42.60000 -14.05000 -69.28000 -4.35000 86.08000 -88.53000 11.86000 34.98000 90.85000 0.00000 0.00000 0.00000 3.30000 17.31000 0.00000 -2.74000 0.00000 -1.21000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_11.PDB 7.36000 -41.19000 -12.56000 -67.72000 -3.35000 83.15000 -87.49000 12.33000 34.45000 90.89000 0.00000 0.00000 0.00000 2.37000 16.93000 0.00000 -2.80000 0.00000 -0.72000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_12.PDB 4.68000 -41.67000 -13.36000 -68.30000 -3.89000 84.11000 -88.15000 11.87000 35.79000 90.59000 0.00000 0.00000 0.00000 1.79000 17.15000 0.00000 -2.87000 0.00000 -1.23000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_13.PDB 5.07000 -40.94000 -13.33000 -68.49000 -3.11000 83.33000 -89.15000 12.59000 34.31000 91.13000 0.00000 0.00000 0.00000 2.48000 16.86000 0.00000 -2.85000 0.00000 -0.90000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_14.PDB 7.35000 -40.95000 -11.33000 -68.22000 -4.06000 84.12000 -88.02000 12.76000 33.94000 90.21000 0.00000 0.00000 0.00000 2.26000 16.94000 0.00000 -2.35000 0.00000 -1.01000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_15.PDB 6.09000 -41.25000 -13.31000 -67.99000 -3.83000 84.09000 -87.61000 12.04000 34.70000 90.66000 0.00000 0.00000 0.00000 2.71000 17.00000 0.00000 -3.23000 0.00000 -0.88000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_16.PDB 4.76000 -40.86000 -14.31000 -69.73000 -3.75000 84.97000 -90.57000 12.31000 36.62000 91.31000 0.00000 0.00000 0.00000 2.53000 17.07000 0.00000 -3.01000 0.00000 -0.75000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_17.PDB 6.12000 -41.85000 -12.11000 -68.01000 -4.00000 84.21000 -87.87000 12.07000 34.01000 91.26000 0.00000 0.00000 0.00000 2.20000 16.86000 0.00000 -2.86000 0.00000 -0.92000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_18.PDB 5.35000 -41.27000 -13.99000 -68.49000 -4.51000 84.50000 -88.31000 13.22000 35.33000 90.79000 0.00000 0.00000 0.00000 2.65000 17.12000 0.00000 -3.23000 0.00000 -1.34000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_19.PDB 6.55000 -41.01000 -12.78000 -68.44000 -4.01000 84.46000 -88.11000 12.59000 34.17000 90.83000 0.00000 0.00000 0.00000 2.56000 16.91000 0.00000 -2.62000 0.00000 -1.09000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_20.PDB 6.12000 -40.91000 -12.39000 -67.59000 -3.82000 83.65000 -87.22000 11.49000 33.93000 89.45000 0.00000 0.00000 0.00000 2.83000 16.93000 0.00000 -2.73000 0.00000 -0.57000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_21.PDB 4.70000 -41.67000 -14.64000 -68.01000 -3.77000 83.03000 -88.25000 12.12000 35.38000 91.19000 0.00000 0.00000 0.00000 3.36000 17.03000 0.00000 -2.98000 0.00000 -1.06000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_22.PDB 5.50000 -42.45000 -13.53000 -69.63000 -3.47000 85.72000 -90.35000 12.18000 36.53000 91.22000 0.00000 0.00000 0.00000 2.90000 17.17000 0.00000 -2.67000 0.00000 -0.95000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_23.PDB 5.94000 -41.21000 -13.35000 -68.47000 -3.65000 83.88000 -88.63000 12.78000 35.49000 90.67000 0.00000 0.00000 0.00000 2.39000 16.92000 0.00000 -3.11000 0.00000 -0.84000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_24.PDB 6.60000 -41.13000 -12.55000 -67.04000 -3.56000 82.83000 -86.97000 11.93000 34.28000 90.29000 0.00000 0.00000 0.00000 2.32000 16.67000 0.00000 -3.01000 0.00000 -0.81000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_25.PDB 5.34000 -41.93000 -13.26000 -67.50000 -3.74000 83.67000 -87.25000 11.78000 34.22000 90.26000 0.00000 0.00000 0.00000 2.61000 16.96000 0.00000 -2.81000 0.00000 -0.71000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_26.PDB 4.83000 -42.46000 -14.67000 -70.30000 -3.95000 85.93000 -90.72000 12.53000 37.20000 92.10000 0.00000 0.00000 0.00000 2.96000 17.39000 0.00000 -2.70000 0.00000 -1.10000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_27.PDB 5.62000 -41.22000 -13.79000 -68.46000 -3.68000 84.16000 -88.52000 11.92000 35.65000 91.03000 0.00000 0.00000 0.00000 2.72000 17.01000 0.00000 -3.19000 0.00000 -0.98000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_28.PDB 5.84000 -41.73000 -15.06000 -68.23000 -3.60000 84.10000 -87.98000 11.88000 35.60000 90.75000 0.00000 0.00000 0.00000 3.41000 17.04000 0.00000 -2.71000 0.00000 -0.60000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_29.PDB 5.17000 -42.44000 -14.97000 -67.77000 -3.84000 83.79000 -87.70000 12.94000 35.01000 90.92000 0.00000 0.00000 0.00000 2.52000 16.91000 0.00000 -2.57000 0.00000 -0.72000 0.00000 0.00000 64.00000 HSE1_1GCQ-19_30.PDB 6.19000 -41.22000 -12.64000 -68.10000 -3.59000 83.55000 -87.84000 11.88000 34.54000 91.10000 0.00000 0.00000 0.00000 2.45000 16.95000 0.00000 -2.98000 0.00000 -0.96000 0.00000 0.00000 64.00000