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-5_1.PDB 9.18491 -10.35000 -2.44000 -5.61000 -14.95000 -4.00000 16.59000 -18.67000 7.67000 9.07000 3.48000 0.00000 0.00000 0.00000 1.30000 2.01000 0.00000 -0.52000 0.00000 -2.28000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_2.PDB 7.13984 -6.65000 -2.30000 -4.27000 -12.03000 -2.68000 12.47000 -15.41000 8.32000 7.77000 3.51000 0.00000 0.00000 0.00000 0.75000 1.61000 0.00000 -1.01000 0.00000 -1.75000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_3.PDB 8.88438 -10.57000 -4.17000 -6.15000 -14.25000 -3.09000 15.41000 -17.71000 8.22000 8.73000 3.47000 0.00000 0.00000 0.00000 1.98000 1.95000 0.00000 -1.14000 0.00000 -1.87000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_4.PDB 12.37296 -11.79000 -3.89000 -5.64000 -14.69000 -3.33000 15.75000 -18.09000 6.16000 8.78000 3.80000 0.00000 0.00000 0.00000 1.99000 1.91000 0.00000 -0.50000 0.00000 -2.14000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_5.PDB 9.76785 -11.70000 -3.24000 -3.06000 -12.43000 -2.64000 11.93000 -16.09000 6.45000 5.52000 3.69000 0.00000 0.00000 0.00000 0.65000 1.60000 0.00000 -0.95000 0.00000 -1.52000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_6.PDB 7.43774 -12.69000 -3.94000 -7.45000 -13.73000 -3.12000 14.13000 -16.99000 8.60000 7.12000 3.97000 0.00000 0.00000 0.00000 1.04000 1.93000 0.00000 -0.52000 0.00000 -1.81000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_7.PDB 6.79613 -9.90000 -4.83000 -4.58000 -13.22000 -3.11000 14.50000 -16.64000 7.76000 8.43000 3.67000 0.00000 0.00000 0.00000 0.81000 1.91000 0.00000 -0.71000 0.00000 -1.98000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_8.PDB 6.77040 -8.24000 -3.08000 -4.71000 -12.33000 -3.16000 13.11000 -15.78000 8.63000 8.13000 3.44000 0.00000 0.00000 0.00000 0.63000 1.82000 0.00000 -1.09000 0.00000 -2.02000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_9.PDB 9.67801 -8.64000 -2.78000 -5.18000 -13.81000 -4.01000 14.76000 -17.55000 9.46000 9.12000 3.18000 0.00000 0.00000 0.00000 1.56000 1.81000 0.00000 -0.92000 0.00000 -2.47000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_10.PDB 8.33551 -9.63000 -3.23000 -4.73000 -12.54000 -3.00000 12.88000 -16.17000 8.09000 8.60000 2.93000 0.00000 0.00000 0.00000 0.63000 1.65000 0.00000 -1.13000 0.00000 -1.95000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_11.PDB 8.50966 -9.81000 -3.28000 -9.00000 -13.17000 -2.79000 14.45000 -16.51000 9.89000 8.36000 3.25000 0.00000 0.00000 0.00000 1.67000 1.84000 0.00000 -0.77000 0.00000 -1.89000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_12.PDB 8.60148 -8.74000 -3.04000 -5.78000 -14.05000 -2.57000 14.41000 -18.16000 10.30000 8.30000 2.88000 0.00000 0.00000 0.00000 1.41000 1.82000 0.00000 -0.90000 0.00000 -1.54000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_13.PDB 9.88362 -8.33000 -2.43000 -5.15000 -13.20000 -2.54000 13.10000 -17.09000 8.63000 7.96000 3.00000 0.00000 0.00000 0.00000 1.83000 1.97000 0.00000 -0.90000 0.00000 -1.52000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_14.PDB 8.30935 -12.33000 -4.06000 -4.21000 -14.26000 -4.39000 15.53000 -17.54000 6.80000 8.54000 3.85000 0.00000 0.00000 0.00000 0.90000 1.87000 0.00000 -0.74000 0.00000 -2.76000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_15.PDB 8.18100 -10.57000 -2.29000 -6.64000 -13.68000 -3.04000 14.00000 -17.02000 8.94000 8.04000 3.29000 0.00000 0.00000 0.00000 1.05000 1.89000 0.00000 -1.43000 0.00000 -1.78000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_16.PDB 8.20519 -9.56000 -3.82000 -6.39000 -14.72000 -3.50000 15.88000 -18.18000 10.39000 8.84000 4.05000 0.00000 0.00000 0.00000 1.25000 2.07000 0.00000 -1.13000 0.00000 -2.23000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_17.PDB 8.76617 -8.42000 -2.32000 -6.63000 -14.04000 -2.18000 13.87000 -18.14000 10.76000 7.81000 3.39000 0.00000 0.00000 0.00000 1.12000 1.85000 0.00000 -0.77000 0.00000 -1.29000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_18.PDB 8.20331 -7.73000 -2.07000 -4.80000 -13.36000 -4.37000 15.00000 -16.78000 9.24000 8.51000 3.46000 0.00000 0.00000 0.00000 0.99000 1.65000 0.00000 -0.89000 0.00000 -2.65000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_19.PDB 10.87137 -12.96000 -3.96000 -6.68000 -14.59000 -4.41000 17.01000 -17.63000 6.45000 9.06000 3.74000 0.00000 0.00000 0.00000 1.19000 1.95000 0.00000 -0.58000 0.00000 -2.57000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_20.PDB 7.09665 -7.87000 -2.43000 -2.54000 -13.05000 -2.79000 13.11000 -17.21000 8.07000 7.68000 2.90000 0.00000 0.00000 0.00000 0.80000 1.85000 0.00000 -0.85000 0.00000 -1.55000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_21.PDB 8.48924 -10.12000 -4.16000 -7.32000 -15.11000 -4.28000 16.98000 -18.40000 10.91000 9.41000 3.85000 0.00000 0.00000 0.00000 1.43000 2.08000 0.00000 -1.02000 0.00000 -2.40000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_22.PDB 9.01375 -10.39000 -3.19000 -5.08000 -12.58000 -3.04000 13.06000 -16.40000 7.62000 8.47000 2.99000 0.00000 0.00000 0.00000 0.66000 1.73000 0.00000 -0.94000 0.00000 -1.95000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_23.PDB 9.70656 -14.51000 -5.45000 -7.38000 -14.73000 -3.95000 16.10000 -17.93000 8.02000 8.50000 3.71000 0.00000 0.00000 0.00000 1.30000 2.07000 0.00000 -0.38000 0.00000 -2.31000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_24.PDB 7.45060 -6.61000 -2.27000 -4.81000 -12.76000 -3.05000 13.35000 -16.02000 9.49000 8.34000 3.35000 0.00000 0.00000 0.00000 0.88000 1.83000 0.00000 -1.16000 0.00000 -1.96000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_25.PDB 10.13839 -11.65000 -2.75000 -5.30000 -14.54000 -5.18000 17.02000 -17.41000 7.01000 9.05000 2.73000 0.00000 0.00000 0.00000 1.14000 1.94000 0.00000 -0.45000 0.00000 -2.98000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_26.PDB 7.09381 -5.75000 -2.25000 -3.37000 -13.11000 -2.90000 13.56000 -16.96000 10.36000 7.48000 3.34000 0.00000 0.00000 0.00000 0.68000 1.75000 0.00000 -1.03000 0.00000 -1.55000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_27.PDB 7.06320 -9.90000 -4.86000 -4.60000 -13.13000 -3.32000 14.15000 -16.43000 8.20000 8.61000 3.49000 0.00000 0.00000 0.00000 0.97000 1.88000 0.00000 -0.87000 0.00000 -2.11000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_28.PDB 8.50739 -8.36000 -3.24000 -5.01000 -13.22000 -2.33000 13.15000 -16.78000 8.85000 7.00000 3.46000 0.00000 0.00000 0.00000 1.61000 1.81000 0.00000 -0.40000 0.00000 -1.46000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_29.PDB 7.39478 -7.84000 -2.38000 -3.13000 -12.75000 -3.27000 13.76000 -16.15000 7.60000 7.61000 2.91000 0.00000 0.00000 0.00000 0.78000 1.59000 0.00000 -0.83000 0.00000 -1.99000 0.00000 2.38000 65.00000 HSE1_1GCQ-5_30.PDB 9.34374 -9.48000 -4.89000 -7.25000 -14.21000 -3.28000 15.84000 -17.47000 10.47000 8.51000 4.22000 0.00000 0.00000 0.00000 1.83000 2.02000 0.00000 -1.36000 0.00000 -1.91000 0.00000 2.38000 65.00000