name Intraclash total energy Backbone Hbond 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-23_1.PDB 4.07823 -8.99000 -0.97000 -4.41000 -5.91000 -1.37000 6.41000 -7.88000 0.61000 4.05000 1.56000 0.00000 0.00000 0.00000 0.14000 0.50000 0.00000 -0.43000 0.00000 -0.77000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_2.PDB 4.18471 -10.19000 -0.96000 -5.74000 -6.55000 -1.01000 6.13000 -8.75000 0.61000 5.30000 1.89000 0.00000 0.00000 0.00000 0.10000 0.56000 0.00000 -0.35000 0.00000 -0.88000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_3.PDB 4.06505 -8.96000 -0.65000 -4.01000 -5.51000 -1.01000 5.23000 -7.30000 0.27000 3.69000 1.44000 0.00000 0.00000 0.00000 0.11000 0.32000 0.00000 -0.42000 0.00000 -0.80000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_4.PDB 4.35351 -9.39000 -0.75000 -4.31000 -5.71000 -1.34000 5.47000 -7.66000 0.41000 3.92000 1.90000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -0.37000 0.00000 -1.02000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_5.PDB 4.05128 -9.06000 -0.87000 -4.09000 -5.66000 -1.17000 5.43000 -7.52000 0.35000 3.80000 1.98000 0.00000 0.00000 0.00000 0.09000 0.37000 0.00000 -0.40000 0.00000 -1.01000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_6.PDB 4.16333 -9.84000 -0.81000 -4.31000 -5.98000 -1.24000 5.62000 -7.98000 0.38000 3.83000 2.01000 0.00000 0.00000 0.00000 0.10000 0.44000 0.00000 -0.59000 0.00000 -0.88000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_7.PDB 3.98224 -9.37000 -0.85000 -4.36000 -6.35000 -1.70000 6.44000 -7.97000 0.42000 4.67000 1.90000 0.00000 0.00000 0.00000 0.08000 0.36000 0.00000 -0.66000 0.00000 -0.98000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_8.PDB 4.11619 -10.31000 -0.84000 -5.91000 -6.16000 -2.28000 7.13000 -7.30000 0.24000 5.30000 1.83000 0.00000 0.00000 0.00000 0.08000 0.47000 0.00000 -0.84000 0.00000 -1.56000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_9.PDB 3.91647 -10.75000 -0.89000 -6.64000 -6.48000 -2.16000 7.62000 -8.31000 0.31000 5.86000 1.71000 0.00000 0.00000 0.00000 0.11000 0.51000 0.00000 -0.60000 0.00000 -1.29000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_10.PDB 3.25917 -9.26000 -0.44000 -3.81000 -6.30000 -1.18000 5.98000 -8.34000 0.24000 3.95000 1.94000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.67000 0.00000 -0.71000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_11.PDB 3.78190 -10.20000 -0.94000 -6.63000 -6.03000 -1.89000 7.08000 -7.85000 0.83000 5.56000 1.57000 0.00000 0.00000 0.00000 0.09000 0.40000 0.00000 -0.71000 0.00000 -1.27000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_12.PDB 4.06296 -11.43000 -0.88000 -6.05000 -6.64000 -3.52000 7.79000 -7.66000 0.38000 5.80000 1.74000 0.00000 0.00000 0.00000 0.14000 0.42000 0.00000 -0.48000 0.00000 -2.04000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_13.PDB 4.77463 -11.59000 -0.86000 -5.91000 -6.60000 -3.71000 7.81000 -7.66000 0.63000 5.68000 1.72000 0.00000 0.00000 0.00000 0.10000 0.42000 0.00000 -0.60000 0.00000 -2.20000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_14.PDB 4.29697 -8.83000 -0.77000 -4.35000 -5.52000 -1.20000 5.67000 -7.41000 0.43000 4.00000 1.71000 0.00000 0.00000 0.00000 0.07000 0.41000 0.00000 -0.43000 0.00000 -1.04000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_15.PDB 3.86547 -10.25000 -0.85000 -6.44000 -6.33000 -2.17000 7.38000 -8.23000 0.41000 5.82000 1.84000 0.00000 0.00000 0.00000 0.11000 0.36000 0.00000 -0.44000 0.00000 -1.34000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_16.PDB 4.06447 -11.42000 -0.69000 -5.97000 -6.75000 -3.64000 8.26000 -7.69000 0.35000 5.83000 1.94000 0.00000 0.00000 0.00000 0.11000 0.52000 0.00000 -0.99000 0.00000 -2.19000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_17.PDB 4.08706 -10.22000 -0.83000 -4.37000 -6.45000 -1.61000 6.09000 -8.50000 0.45000 4.13000 2.22000 0.00000 0.00000 0.00000 0.09000 0.32000 0.00000 -0.50000 0.00000 -0.93000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_18.PDB 3.86065 -9.54000 -0.94000 -6.64000 -6.41000 -2.36000 8.31000 -8.27000 0.85000 5.50000 2.07000 0.00000 0.00000 0.00000 0.11000 0.40000 0.00000 -0.47000 0.00000 -1.30000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_19.PDB 4.14918 -9.60000 -0.80000 -4.12000 -5.80000 -1.57000 5.57000 -7.55000 0.33000 4.06000 1.82000 0.00000 0.00000 0.00000 0.11000 0.36000 0.00000 -0.37000 0.00000 -1.25000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_20.PDB 4.30826 -9.29000 -0.88000 -6.68000 -6.21000 -2.60000 8.05000 -8.00000 1.69000 5.40000 1.94000 0.00000 0.00000 0.00000 0.10000 0.37000 0.00000 -0.49000 0.00000 -1.59000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_21.PDB 3.86209 -9.13000 -0.86000 -4.28000 -5.32000 -1.03000 5.03000 -7.24000 0.40000 3.49000 1.93000 0.00000 0.00000 0.00000 0.10000 0.24000 0.00000 -0.63000 0.00000 -0.72000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_22.PDB 4.10094 -9.00000 -0.78000 -4.03000 -5.45000 -1.17000 5.47000 -7.28000 0.37000 3.40000 1.83000 0.00000 0.00000 0.00000 0.07000 0.22000 0.00000 -0.68000 0.00000 -0.76000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_23.PDB 3.54937 -9.41000 -0.48000 -3.85000 -6.03000 -1.13000 5.28000 -8.24000 0.32000 3.96000 1.97000 0.00000 0.00000 0.00000 0.10000 0.42000 0.00000 -0.46000 0.00000 -0.87000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_24.PDB 4.05933 -10.25000 -0.94000 -4.34000 -6.03000 -1.13000 5.47000 -8.19000 0.38000 3.81000 2.23000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.64000 0.00000 -0.94000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_25.PDB 4.59349 -8.61000 -1.73000 -4.88000 -6.21000 -1.72000 7.68000 -8.03000 0.59000 4.89000 2.51000 0.00000 0.00000 0.00000 0.14000 0.53000 0.00000 -0.66000 0.00000 -1.17000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_26.PDB 3.99206 -12.00000 -0.93000 -6.06000 -6.64000 -2.59000 7.60000 -7.84000 0.28000 4.67000 1.94000 0.00000 0.00000 0.00000 0.17000 0.54000 0.00000 -1.09000 0.00000 -1.52000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_27.PDB 4.24316 -9.82000 -0.89000 -4.28000 -5.78000 -1.15000 5.09000 -8.07000 0.85000 3.78000 1.72000 0.00000 0.00000 0.00000 0.12000 0.44000 0.00000 -0.38000 0.00000 -0.84000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_28.PDB 4.21462 -7.45000 -0.94000 -4.22000 -5.58000 -1.17000 6.02000 -7.37000 1.36000 3.75000 2.13000 0.00000 0.00000 0.00000 0.07000 0.31000 0.00000 -0.55000 0.00000 -0.97000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_29.PDB 4.51898 -10.51000 -0.83000 -6.03000 -5.66000 -2.42000 6.98000 -6.60000 0.40000 4.06000 1.52000 0.00000 0.00000 0.00000 0.11000 0.31000 0.00000 -0.48000 0.00000 -1.58000 0.00000 2.38000 62.00000 HSE1_1GCQ-23_30.PDB 3.28500 -9.54000 -0.56000 -4.06000 -5.56000 -1.34000 5.37000 -7.53000 0.30000 3.58000 1.66000 0.00000 0.00000 0.00000 0.11000 0.36000 0.00000 -0.64000 0.00000 -0.87000 0.00000 2.38000 62.00000