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-20_1.PDB 2.67738 -9.23000 -1.00000 -3.15000 -10.00000 -0.44000 8.83000 -13.58000 1.55000 5.65000 3.38000 0.00000 0.00000 0.00000 0.11000 0.55000 0.00000 -0.43000 0.00000 -0.15000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_2.PDB 3.26218 -10.12000 -0.93000 -4.25000 -9.96000 -1.27000 9.97000 -12.81000 0.97000 5.87000 3.36000 0.00000 0.00000 0.00000 0.14000 0.54000 0.00000 -0.50000 0.00000 -0.71000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_3.PDB 2.56741 -9.09000 -0.96000 -4.34000 -9.83000 -0.63000 9.46000 -13.19000 1.01000 6.76000 3.55000 0.00000 0.00000 0.00000 0.10000 0.49000 0.00000 -0.69000 0.00000 -0.34000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_4.PDB 3.15017 -8.02000 -0.87000 -2.67000 -9.37000 -0.52000 8.69000 -12.51000 1.24000 5.11000 3.59000 0.00000 0.00000 0.00000 0.11000 0.50000 0.00000 -0.59000 0.00000 -0.24000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_5.PDB 4.85668 -8.57000 -0.88000 -2.83000 -8.86000 -0.69000 8.34000 -11.95000 1.04000 5.01000 3.45000 0.00000 0.00000 0.00000 0.06000 0.46000 0.00000 -0.71000 0.00000 -0.58000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_6.PDB 2.77709 -5.11000 -0.83000 -2.84000 -9.77000 -0.31000 8.94000 -13.13000 4.28000 5.21000 4.26000 0.00000 0.00000 0.00000 0.11000 0.48000 0.00000 -0.89000 0.00000 -0.13000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_7.PDB 2.41896 -7.22000 -0.93000 -3.08000 -9.07000 -0.22000 8.06000 -12.38000 3.13000 4.62000 3.45000 0.00000 0.00000 0.00000 0.11000 0.38000 0.00000 -0.73000 0.00000 -0.19000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_8.PDB 2.72053 -11.21000 -0.86000 -3.10000 -9.99000 -1.83000 10.06000 -12.72000 0.91000 5.39000 2.86000 0.00000 0.00000 0.00000 0.11000 0.53000 0.00000 -1.11000 0.00000 -0.92000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_9.PDB 6.13547 -7.56000 -0.79000 -1.73000 -8.77000 -0.45000 7.72000 -12.25000 1.24000 4.54000 3.50000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.57000 0.00000 -0.07000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_10.PDB 2.64506 -9.78000 -0.87000 -3.54000 -9.62000 -1.68000 9.66000 -12.46000 1.10000 5.57000 3.51000 0.00000 0.00000 0.00000 0.08000 0.49000 0.00000 -0.40000 0.00000 -1.14000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_11.PDB 4.83746 -8.21000 -0.84000 -2.79000 -8.64000 -0.62000 8.02000 -11.60000 1.14000 4.60000 3.60000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -0.60000 0.00000 -0.54000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_12.PDB 3.42308 -9.08000 -1.00000 -2.24000 -9.39000 -0.33000 8.08000 -12.87000 0.87000 5.44000 3.21000 0.00000 0.00000 0.00000 0.13000 0.55000 0.00000 -0.84000 0.00000 -0.13000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_13.PDB 2.66872 -9.63000 -0.90000 -3.04000 -10.00000 -1.20000 10.16000 -12.71000 0.89000 5.47000 3.18000 0.00000 0.00000 0.00000 0.10000 0.62000 0.00000 -0.92000 0.00000 -0.66000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_14.PDB 2.71096 -10.99000 -0.99000 -2.04000 -10.32000 -1.92000 10.10000 -13.24000 0.84000 5.18000 3.34000 0.00000 0.00000 0.00000 0.13000 0.62000 0.00000 -1.17000 0.00000 -0.89000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_15.PDB 2.67354 -11.93000 -1.10000 -5.99000 -10.46000 -1.20000 10.77000 -13.60000 1.07000 6.74000 3.31000 0.00000 0.00000 0.00000 0.12000 0.61000 0.00000 -1.02000 0.00000 -0.58000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_16.PDB 2.53579 -10.68000 -1.09000 -3.06000 -10.52000 -1.78000 10.37000 -13.52000 1.28000 5.65000 3.39000 0.00000 0.00000 0.00000 0.11000 0.70000 0.00000 -0.67000 0.00000 -0.85000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_17.PDB 2.72826 -10.77000 -0.85000 -4.69000 -9.32000 -1.53000 9.27000 -11.91000 1.09000 5.60000 3.27000 0.00000 0.00000 0.00000 0.08000 0.50000 0.00000 -0.60000 0.00000 -1.18000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_18.PDB 2.53076 -8.74000 -1.09000 -2.39000 -10.01000 -0.78000 9.67000 -13.49000 0.99000 5.65000 3.67000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.62000 0.00000 -0.44000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_19.PDB 3.32771 -7.26000 -0.93000 -2.87000 -9.39000 -0.38000 9.00000 -12.38000 1.14000 5.29000 3.78000 0.00000 0.00000 0.00000 0.12000 0.59000 0.00000 -0.49000 0.00000 -0.14000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_20.PDB 2.57326 -8.93000 -0.97000 -2.60000 -9.04000 -0.75000 8.51000 -12.21000 0.96000 4.92000 3.32000 0.00000 0.00000 0.00000 0.08000 0.39000 0.00000 -0.50000 0.00000 -0.64000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_21.PDB 4.78710 -11.02000 -1.67000 -5.33000 -9.66000 -1.16000 10.73000 -12.38000 1.10000 5.84000 2.97000 0.00000 0.00000 0.00000 0.37000 0.60000 0.00000 -1.17000 0.00000 -0.66000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_22.PDB 4.35094 -13.21000 -2.74000 -3.81000 -11.15000 -2.58000 11.38000 -14.44000 1.44000 6.94000 3.50000 0.00000 0.00000 0.00000 0.14000 0.59000 0.00000 -0.48000 0.00000 -1.42000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_23.PDB 2.58446 -8.44000 -1.07000 -3.12000 -9.74000 -0.53000 9.52000 -12.92000 0.82000 5.46000 4.32000 0.00000 0.00000 0.00000 0.10000 0.57000 0.00000 -1.03000 0.00000 -0.26000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_24.PDB 3.41687 -7.00000 -0.90000 -3.38000 -9.77000 -0.48000 9.36000 -12.84000 2.16000 6.15000 4.08000 0.00000 0.00000 0.00000 0.10000 0.54000 0.00000 -1.26000 0.00000 -0.22000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_25.PDB 2.54428 -9.60000 -0.79000 -4.47000 -9.87000 -0.74000 9.78000 -13.28000 0.92000 6.78000 3.72000 0.00000 0.00000 0.00000 0.10000 0.49000 0.00000 -1.37000 0.00000 -0.38000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_26.PDB 2.64221 -10.89000 -0.79000 -5.85000 -10.20000 -1.36000 11.08000 -12.94000 0.90000 6.16000 3.45000 0.00000 0.00000 0.00000 0.10000 0.61000 0.00000 -0.72000 0.00000 -0.73000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_27.PDB 3.01223 -7.27000 -0.86000 -1.82000 -8.68000 -0.48000 7.75000 -11.69000 0.97000 4.89000 3.55000 0.00000 0.00000 0.00000 0.05000 0.55000 0.00000 -0.70000 0.00000 -0.26000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_28.PDB 3.44915 -7.45000 -0.84000 -3.07000 -8.86000 -0.47000 8.60000 -11.74000 1.34000 4.58000 3.77000 0.00000 0.00000 0.00000 0.12000 0.39000 0.00000 -0.41000 0.00000 -0.46000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_29.PDB 2.99458 -8.91000 -0.94000 -2.53000 -9.25000 -0.53000 8.56000 -12.70000 1.04000 4.91000 3.40000 0.00000 0.00000 0.00000 0.16000 0.49000 0.00000 -0.78000 0.00000 -0.26000 0.00000 2.38000 64.00000 HSE1_1GCQ-20_30.PDB 2.35078 -9.75000 -1.03000 -4.81000 -9.79000 -0.64000 9.56000 -13.47000 0.91000 6.55000 3.68000 0.00000 0.00000 0.00000 0.09000 0.47000 0.00000 -0.47000 0.00000 -0.33000 0.00000 2.38000 64.00000