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-20_1.PDB 1.25000 -39.85000 -10.49000 -68.92000 -2.09000 82.63000 -89.73000 9.25000 33.21000 87.19000 0.00000 0.00000 0.00000 2.56000 16.55000 0.00000 -2.37000 0.00000 -0.15000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_2.PDB -0.02000 -40.99000 -12.77000 -69.19000 -2.79000 84.37000 -89.15000 8.78000 34.47000 87.28000 0.00000 0.00000 0.00000 3.06000 16.61000 0.00000 -2.37000 0.00000 -0.71000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_3.PDB 0.73000 -40.08000 -11.94000 -68.82000 -2.28000 83.56000 -89.35000 8.78000 34.30000 87.28000 0.00000 0.00000 0.00000 2.37000 16.65000 0.00000 -2.76000 0.00000 -0.34000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_4.PDB 2.89000 -40.39000 -10.67000 -69.27000 -2.05000 83.10000 -90.14000 9.74000 33.76000 88.70000 0.00000 0.00000 0.00000 2.68000 16.60000 0.00000 -2.33000 0.00000 -0.24000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_5.PDB 3.26000 -40.07000 -10.49000 -68.57000 -2.36000 82.75000 -89.25000 9.15000 33.33000 87.50000 0.00000 0.00000 0.00000 4.39000 16.58000 0.00000 -2.54000 0.00000 -0.58000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_6.PDB 5.28000 -40.51000 -10.99000 -68.72000 -2.00000 82.56000 -89.43000 12.22000 33.52000 88.90000 0.00000 0.00000 0.00000 2.50000 16.51000 0.00000 -2.63000 0.00000 -0.13000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_7.PDB 3.71000 -39.92000 -10.55000 -68.32000 -1.81000 82.24000 -89.01000 10.75000 32.51000 88.26000 0.00000 0.00000 0.00000 2.35000 16.43000 0.00000 -2.60000 0.00000 -0.19000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_8.PDB -0.78000 -41.22000 -11.67000 -69.60000 -3.27000 84.92000 -89.57000 8.65000 34.50000 87.80000 0.00000 0.00000 0.00000 2.54000 16.65000 0.00000 -2.96000 0.00000 -0.92000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_9.PDB 5.02000 -40.27000 -9.68000 -68.70000 -2.14000 82.15000 -89.91000 10.89000 33.02000 87.80000 0.00000 0.00000 0.00000 4.34000 16.55000 0.00000 -2.42000 0.00000 -0.07000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_10.PDB -0.61000 -40.91000 -12.04000 -68.85000 -3.26000 84.04000 -88.87000 9.03000 34.13000 87.26000 0.00000 0.00000 0.00000 2.26000 16.57000 0.00000 -2.26000 0.00000 -1.14000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_11.PDB 3.50000 -39.85000 -10.27000 -68.52000 -2.30000 82.49000 -89.14000 9.17000 32.73000 87.73000 0.00000 0.00000 0.00000 4.44000 16.53000 0.00000 -2.44000 0.00000 -0.54000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_12.PDB 0.79000 -40.30000 -9.88000 -68.85000 -2.36000 82.33000 -89.78000 9.08000 33.39000 87.41000 0.00000 0.00000 0.00000 2.66000 16.67000 0.00000 -2.77000 0.00000 -0.13000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_13.PDB 0.72000 -41.83000 -12.44000 -69.44000 -2.70000 84.73000 -89.23000 8.58000 35.33000 88.95000 0.00000 0.00000 0.00000 2.46000 16.72000 0.00000 -3.02000 0.00000 -0.66000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_14.PDB -0.41000 -41.71000 -11.22000 -69.55000 -3.46000 84.72000 -89.51000 8.61000 34.35000 88.83000 0.00000 0.00000 0.00000 2.59000 16.80000 0.00000 -3.16000 0.00000 -0.89000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_15.PDB -1.47000 -40.14000 -13.55000 -69.44000 -2.76000 84.81000 -89.67000 8.84000 34.34000 87.09000 0.00000 0.00000 0.00000 2.39000 16.63000 0.00000 -2.81000 0.00000 -0.58000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_16.PDB -1.15000 -40.97000 -11.45000 -69.56000 -3.70000 84.73000 -89.55000 9.10000 34.07000 87.36000 0.00000 0.00000 0.00000 2.30000 16.69000 0.00000 -2.63000 0.00000 -0.85000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_17.PDB -1.15000 -40.55000 -12.85000 -68.44000 -3.17000 83.27000 -88.32000 8.88000 34.13000 87.07000 0.00000 0.00000 0.00000 2.47000 16.59000 0.00000 -2.46000 0.00000 -1.18000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_18.PDB 2.52000 -40.84000 -10.64000 -68.99000 -2.24000 83.85000 -89.59000 8.82000 33.73000 89.04000 0.00000 0.00000 0.00000 2.32000 16.61000 0.00000 -2.51000 0.00000 -0.44000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_19.PDB 4.42000 -39.96000 -10.37000 -69.06000 -2.04000 83.33000 -89.60000 9.83000 33.24000 88.83000 0.00000 0.00000 0.00000 2.75000 16.66000 0.00000 -2.39000 0.00000 -0.14000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_20.PDB 0.82000 -40.08000 -10.20000 -67.81000 -2.41000 82.22000 -88.23000 8.87000 32.49000 86.80000 0.00000 0.00000 0.00000 2.18000 16.43000 0.00000 -2.37000 0.00000 -0.64000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_21.PDB 1.88000 -41.30000 -13.41000 -70.04000 -2.61000 86.20000 -90.44000 9.03000 34.70000 88.36000 0.00000 0.00000 0.00000 4.86000 16.88000 0.00000 -2.83000 0.00000 -0.66000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_22.PDB -2.56000 -41.85000 -11.42000 -70.41000 -4.41000 85.64000 -91.17000 9.28000 34.95000 87.84000 0.00000 0.00000 0.00000 2.67000 16.65000 0.00000 -2.26000 0.00000 -1.42000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_23.PDB 2.72000 -40.40000 -10.95000 -68.46000 -2.18000 83.26000 -88.76000 8.71000 33.27000 88.91000 0.00000 0.00000 0.00000 2.36000 16.58000 0.00000 -2.79000 0.00000 -0.26000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_24.PDB 5.87000 -40.00000 -10.95000 -68.70000 -2.04000 83.56000 -88.93000 10.55000 33.61000 89.52000 0.00000 0.00000 0.00000 2.60000 16.41000 0.00000 -3.12000 0.00000 -0.22000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_25.PDB 1.55000 -39.73000 -11.87000 -69.11000 -2.30000 84.12000 -89.79000 8.60000 34.40000 88.40000 0.00000 0.00000 0.00000 2.37000 16.65000 0.00000 -3.16000 0.00000 -0.38000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_26.PDB -0.31000 -40.52000 -14.02000 -69.55000 -2.88000 85.47000 -89.48000 8.66000 34.68000 88.21000 0.00000 0.00000 0.00000 2.48000 16.75000 0.00000 -2.61000 0.00000 -0.73000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_27.PDB 2.50000 -40.04000 -9.49000 -68.16000 -2.47000 81.85000 -88.75000 9.53000 32.66000 87.74000 0.00000 0.00000 0.00000 2.33000 16.61000 0.00000 -2.45000 0.00000 -0.26000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_28.PDB 3.94000 -40.27000 -10.95000 -67.99000 -2.14000 82.43000 -88.26000 9.17000 32.90000 88.30000 0.00000 0.00000 0.00000 3.31000 16.44000 0.00000 -2.09000 0.00000 -0.46000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_29.PDB 1.57000 -40.07000 -10.13000 -69.05000 -1.99000 82.87000 -90.07000 8.89000 33.03000 88.36000 0.00000 0.00000 0.00000 2.77000 16.55000 0.00000 -2.78000 0.00000 -0.26000 0.00000 0.00000 64.00000 HSE1_1GCQ-20_30.PDB -0.18000 -39.90000 -12.15000 -68.63000 -2.29000 83.32000 -89.43000 8.57000 34.05000 87.28000 0.00000 0.00000 0.00000 2.24000 16.55000 0.00000 -2.91000 0.00000 -0.33000 0.00000 0.00000 64.00000