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-26_1.PDB 3.30877 -14.06000 -3.69000 -3.79000 -8.97000 -2.80000 9.51000 -10.72000 0.38000 6.03000 3.16000 0.00000 0.00000 0.00000 0.16000 0.95000 0.00000 -1.44000 0.00000 -1.87000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_2.PDB 3.50924 -13.08000 -3.08000 -3.14000 -8.65000 -2.80000 9.08000 -10.42000 0.39000 5.94000 3.23000 0.00000 0.00000 0.00000 0.13000 0.80000 0.00000 -1.81000 0.00000 -1.93000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_3.PDB 3.38579 -14.37000 -3.07000 -4.72000 -8.99000 -3.12000 9.77000 -10.66000 0.43000 6.63000 3.13000 0.00000 0.00000 0.00000 0.14000 0.78000 0.00000 -1.91000 0.00000 -2.01000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_4.PDB 3.25879 -11.35000 -2.91000 -2.95000 -7.97000 -1.85000 8.06000 -9.89000 0.18000 5.52000 2.70000 0.00000 0.00000 0.00000 0.14000 0.84000 0.00000 -0.78000 0.00000 -1.60000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_5.PDB 3.66828 -11.67000 -2.23000 -3.26000 -8.77000 -3.57000 10.01000 -10.15000 0.50000 6.10000 3.13000 0.00000 0.00000 0.00000 0.17000 0.91000 0.00000 -1.42000 0.00000 -2.18000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_6.PDB 3.64982 -12.64000 -3.55000 -3.64000 -8.89000 -2.38000 9.62000 -10.64000 0.45000 6.00000 3.09000 0.00000 0.00000 0.00000 0.18000 0.96000 0.00000 -1.20000 0.00000 -1.68000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_7.PDB 3.36095 -12.69000 -3.07000 -3.15000 -8.91000 -2.98000 9.39000 -10.64000 0.35000 6.02000 3.34000 0.00000 0.00000 0.00000 0.13000 0.90000 0.00000 -1.24000 0.00000 -1.93000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_8.PDB 3.79969 -11.23000 -2.89000 -2.99000 -8.16000 -2.07000 8.42000 -10.13000 0.91000 5.69000 2.66000 0.00000 0.00000 0.00000 0.18000 0.78000 0.00000 -1.15000 0.00000 -1.70000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_9.PDB 1.98574 -13.17000 -2.24000 -5.43000 -7.66000 -1.75000 7.42000 -9.61000 0.17000 5.83000 2.52000 0.00000 0.00000 0.00000 0.09000 0.62000 0.00000 -1.22000 0.00000 -1.28000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_10.PDB 3.34003 -12.05000 -3.07000 -3.06000 -8.75000 -2.37000 9.21000 -10.57000 0.58000 5.98000 2.93000 0.00000 0.00000 0.00000 0.18000 0.79000 0.00000 -1.38000 0.00000 -1.73000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_11.PDB 3.21595 -10.97000 -2.98000 -3.03000 -7.96000 -1.88000 8.21000 -9.83000 0.19000 5.68000 2.60000 0.00000 0.00000 0.00000 0.13000 0.77000 0.00000 -0.59000 0.00000 -1.51000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_12.PDB 3.69144 -12.40000 -3.09000 -3.59000 -8.48000 -2.81000 9.38000 -10.07000 0.31000 5.88000 3.07000 0.00000 0.00000 0.00000 0.21000 0.73000 0.00000 -1.38000 0.00000 -1.84000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_13.PDB 3.54807 -12.17000 -2.94000 -3.83000 -8.26000 -2.44000 9.01000 -10.01000 0.42000 6.33000 2.80000 0.00000 0.00000 0.00000 0.11000 0.76000 0.00000 -1.47000 0.00000 -1.89000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_14.PDB 3.23852 -11.40000 -1.42000 -1.87000 -7.87000 -3.16000 8.43000 -9.26000 0.52000 4.29000 2.32000 0.00000 0.00000 0.00000 0.06000 0.68000 0.00000 -1.42000 0.00000 -2.02000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_15.PDB 1.85984 -10.98000 -2.10000 -2.18000 -7.72000 -1.41000 7.20000 -9.84000 0.12000 3.96000 2.33000 0.00000 0.00000 0.00000 0.14000 0.70000 0.00000 -0.44000 0.00000 -1.04000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_16.PDB 3.75298 -10.47000 -1.38000 -1.87000 -7.13000 -2.20000 7.15000 -8.84000 0.36000 3.85000 1.88000 0.00000 0.00000 0.00000 0.04000 0.59000 0.00000 -0.72000 0.00000 -1.62000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_17.PDB 2.91188 -10.60000 -1.35000 -1.70000 -7.16000 -2.33000 7.05000 -8.96000 0.51000 3.96000 1.99000 0.00000 0.00000 0.00000 0.04000 0.60000 0.00000 -0.89000 0.00000 -1.76000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_18.PDB 3.26185 -10.63000 -1.85000 -2.42000 -8.71000 -3.22000 9.64000 -10.12000 0.40000 5.96000 2.68000 0.00000 0.00000 0.00000 0.15000 0.82000 0.00000 -1.27000 0.00000 -1.86000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_19.PDB 3.39183 -11.27000 -3.00000 -3.07000 -8.20000 -2.10000 8.57000 -10.16000 0.42000 5.61000 2.82000 0.00000 0.00000 0.00000 0.09000 0.70000 0.00000 -0.71000 0.00000 -1.53000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_20.PDB 3.96773 -12.88000 -3.64000 -5.45000 -8.90000 -3.41000 10.26000 -10.12000 1.07000 7.64000 3.28000 0.00000 0.00000 0.00000 0.16000 0.96000 0.00000 -1.44000 0.00000 -2.34000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_21.PDB 3.57144 -13.66000 -2.96000 -3.06000 -9.06000 -3.09000 9.76000 -10.72000 0.30000 5.83000 3.24000 0.00000 0.00000 0.00000 0.15000 0.91000 0.00000 -2.12000 0.00000 -1.94000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_22.PDB 4.09379 -12.53000 -3.11000 -3.15000 -8.82000 -2.56000 9.46000 -10.59000 0.60000 5.95000 2.82000 0.00000 0.00000 0.00000 0.25000 0.86000 0.00000 -1.69000 0.00000 -1.69000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_23.PDB 3.87633 -10.74000 -1.41000 -1.88000 -7.95000 -3.47000 9.12000 -9.06000 1.13000 4.25000 2.29000 0.00000 0.00000 0.00000 0.10000 0.78000 0.00000 -1.60000 0.00000 -2.26000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_24.PDB 2.85763 -12.53000 -1.43000 -1.83000 -7.99000 -2.70000 7.99000 -9.76000 0.49000 4.17000 1.61000 0.00000 0.00000 0.00000 0.06000 0.68000 0.00000 -1.41000 0.00000 -1.72000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_25.PDB 5.67279 -12.40000 -3.73000 -4.74000 -9.13000 -3.71000 11.07000 -10.25000 1.89000 7.32000 2.34000 0.00000 0.00000 0.00000 0.38000 0.86000 0.00000 -1.19000 0.00000 -2.66000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_26.PDB 3.36448 -12.22000 -3.03000 -3.53000 -8.94000 -3.21000 10.02000 -10.53000 0.32000 6.14000 3.25000 0.00000 0.00000 0.00000 0.18000 0.91000 0.00000 -0.88000 0.00000 -2.01000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_27.PDB 3.86718 -11.58000 -3.02000 -4.88000 -8.83000 -3.26000 10.46000 -9.92000 1.02000 6.92000 3.25000 0.00000 0.00000 0.00000 0.14000 0.88000 0.00000 -1.60000 0.00000 -1.85000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_28.PDB 3.16910 -12.45000 -1.43000 -2.68000 -8.06000 -3.23000 8.23000 -9.60000 0.40000 4.80000 2.56000 0.00000 0.00000 0.00000 0.06000 0.72000 0.00000 -1.48000 0.00000 -2.03000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_29.PDB 3.26967 -12.27000 -3.05000 -3.10000 -8.92000 -2.86000 9.80000 -10.61000 0.42000 5.97000 2.81000 0.00000 0.00000 0.00000 0.15000 0.80000 0.00000 -1.11000 0.00000 -1.77000 0.00000 2.38000 64.00000 HSE1_1GCQ-26_30.PDB 4.46931 -10.02000 -3.04000 -3.12000 -8.74000 -3.07000 10.27000 -9.89000 1.33000 6.56000 3.04000 0.00000 0.00000 0.00000 0.19000 0.85000 0.00000 -1.46000 0.00000 -2.09000 0.00000 2.38000 64.00000