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-29_1.PDB 4.72958 -15.49000 -2.54000 -3.39000 -10.31000 -4.00000 10.83000 -12.79000 1.48000 6.39000 2.10000 0.00000 0.00000 0.00000 0.14000 0.91000 0.00000 -0.67000 0.00000 -2.71000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_2.PDB 4.56659 -15.99000 -3.23000 -3.41000 -9.90000 -3.49000 10.65000 -12.34000 0.93000 6.29000 2.23000 0.00000 0.00000 0.00000 0.11000 0.85000 0.00000 -1.30000 0.00000 -2.53000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_3.PDB 4.49087 -14.89000 -1.49000 -2.32000 -10.08000 -4.41000 10.63000 -12.53000 1.26000 6.35000 1.51000 0.00000 0.00000 0.00000 0.13000 0.83000 0.00000 -0.97000 0.00000 -2.96000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_4.PDB 4.36933 -15.92000 -2.38000 -3.15000 -10.16000 -3.91000 10.50000 -12.69000 0.98000 6.41000 1.93000 0.00000 0.00000 0.00000 0.15000 0.83000 0.00000 -0.98000 0.00000 -2.62000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_5.PDB 4.49138 -15.38000 -1.24000 -2.28000 -10.30000 -4.40000 10.29000 -12.94000 1.12000 6.00000 1.77000 0.00000 0.00000 0.00000 0.21000 0.82000 0.00000 -0.71000 0.00000 -2.90000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_6.PDB 4.24693 -14.67000 -1.70000 -2.61000 -9.57000 -3.94000 10.02000 -11.96000 1.16000 5.65000 1.57000 0.00000 0.00000 0.00000 0.06000 0.73000 0.00000 -0.70000 0.00000 -2.64000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_7.PDB 4.27250 -15.08000 -1.78000 -2.74000 -9.92000 -3.80000 10.17000 -12.51000 1.24000 6.29000 1.57000 0.00000 0.00000 0.00000 0.08000 0.77000 0.00000 -1.04000 0.00000 -2.63000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_8.PDB 4.72923 -16.32000 -2.60000 -3.44000 -10.31000 -4.19000 10.79000 -12.78000 1.18000 6.31000 2.05000 0.00000 0.00000 0.00000 0.12000 0.89000 0.00000 -0.70000 0.00000 -2.76000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_9.PDB 4.47446 -14.92000 -2.03000 -2.91000 -10.01000 -3.85000 10.38000 -12.53000 1.03000 6.00000 2.10000 0.00000 0.00000 0.00000 0.12000 0.84000 0.00000 -0.51000 0.00000 -2.71000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_10.PDB 4.33118 -15.16000 -1.65000 -2.63000 -10.06000 -3.75000 10.26000 -12.74000 0.91000 6.18000 1.37000 0.00000 0.00000 0.00000 0.08000 0.78000 0.00000 -0.63000 0.00000 -2.50000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_11.PDB 4.64998 -15.09000 -2.43000 -3.26000 -10.09000 -4.01000 10.77000 -12.50000 1.14000 6.26000 2.49000 0.00000 0.00000 0.00000 0.13000 0.90000 0.00000 -0.91000 0.00000 -2.68000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_12.PDB 4.73018 -15.69000 -2.63000 -3.32000 -10.33000 -3.94000 10.93000 -12.72000 1.13000 6.39000 2.00000 0.00000 0.00000 0.00000 0.15000 0.93000 0.00000 -0.66000 0.00000 -2.68000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_13.PDB 4.56887 -14.78000 -1.64000 -2.55000 -10.05000 -4.11000 10.52000 -12.57000 0.84000 6.30000 1.67000 0.00000 0.00000 0.00000 0.10000 0.77000 0.00000 -0.57000 0.00000 -2.72000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_14.PDB 4.20505 -15.11000 -1.81000 -2.71000 -10.40000 -4.55000 11.05000 -12.87000 1.30000 6.51000 1.69000 0.00000 0.00000 0.00000 0.11000 0.89000 0.00000 -0.57000 0.00000 -2.86000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_15.PDB 4.65683 -16.02000 -2.44000 -3.31000 -10.34000 -4.44000 11.11000 -12.78000 1.48000 6.60000 2.03000 0.00000 0.00000 0.00000 0.12000 0.87000 0.00000 -1.02000 0.00000 -3.03000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_16.PDB 4.50762 -15.34000 -2.41000 -3.23000 -10.13000 -3.88000 10.49000 -12.70000 1.33000 6.32000 2.15000 0.00000 0.00000 0.00000 0.16000 0.89000 0.00000 -0.81000 0.00000 -2.63000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_17.PDB 4.71887 -15.35000 -3.22000 -3.35000 -9.83000 -3.64000 10.84000 -12.17000 0.85000 6.47000 2.11000 0.00000 0.00000 0.00000 0.11000 0.80000 0.00000 -0.85000 0.00000 -2.64000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_18.PDB 5.52567 -16.33000 -2.53000 -2.74000 -9.85000 -3.23000 9.62000 -12.49000 1.02000 5.17000 1.77000 0.00000 0.00000 0.00000 0.20000 0.76000 0.00000 -0.99000 0.00000 -2.29000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_19.PDB 4.48270 -15.43000 -2.33000 -3.15000 -10.06000 -3.87000 10.61000 -12.49000 0.77000 6.33000 2.19000 0.00000 0.00000 0.00000 0.13000 0.91000 0.00000 -0.94000 0.00000 -2.61000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_20.PDB 5.25745 -15.44000 -3.41000 -4.24000 -10.96000 -3.93000 12.36000 -12.82000 1.30000 7.41000 2.31000 0.00000 0.00000 0.00000 0.19000 0.99000 0.00000 -0.98000 0.00000 -2.66000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_21.PDB 4.29102 -15.35000 -1.70000 -2.50000 -10.34000 -4.38000 10.98000 -12.82000 1.02000 6.42000 1.39000 0.00000 0.00000 0.00000 0.12000 0.79000 0.00000 -0.81000 0.00000 -2.73000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_22.PDB 5.24840 -15.55000 -2.55000 -3.39000 -9.98000 -4.17000 10.89000 -12.18000 1.06000 5.95000 2.02000 0.00000 0.00000 0.00000 0.20000 0.86000 0.00000 -0.66000 0.00000 -2.73000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_23.PDB 3.89618 -14.53000 -1.49000 -2.49000 -10.08000 -4.09000 10.50000 -12.70000 1.67000 6.33000 1.37000 0.00000 0.00000 0.00000 0.08000 0.83000 0.00000 -0.92000 0.00000 -2.73000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_24.PDB 4.67580 -16.02000 -1.48000 -2.55000 -10.30000 -5.11000 10.71000 -12.55000 1.15000 6.32000 1.20000 0.00000 0.00000 0.00000 0.22000 0.78000 0.00000 -0.80000 0.00000 -2.83000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_25.PDB 4.49352 -16.34000 -2.49000 -3.32000 -10.19000 -3.96000 10.66000 -12.67000 0.90000 6.18000 1.95000 0.00000 0.00000 0.00000 0.11000 0.91000 0.00000 -0.91000 0.00000 -2.59000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_26.PDB 4.25415 -15.43000 -3.45000 -3.54000 -9.79000 -2.95000 10.19000 -12.44000 1.05000 6.54000 1.96000 0.00000 0.00000 0.00000 0.11000 0.69000 0.00000 -0.73000 0.00000 -2.38000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_27.PDB 5.17589 -15.90000 -3.33000 -3.49000 -10.12000 -3.51000 10.87000 -12.58000 1.03000 6.33000 2.36000 0.00000 0.00000 0.00000 0.14000 0.80000 0.00000 -1.05000 0.00000 -2.57000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_28.PDB 4.39934 -15.17000 -1.72000 -2.70000 -10.06000 -3.95000 10.41000 -12.58000 1.06000 6.24000 1.46000 0.00000 0.00000 0.00000 0.07000 0.78000 0.00000 -0.59000 0.00000 -2.80000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_29.PDB 4.34239 -15.49000 -2.51000 -3.35000 -10.95000 -4.72000 10.61000 -13.65000 2.38000 7.21000 1.98000 0.00000 0.00000 0.00000 0.20000 0.83000 0.00000 -0.24000 0.00000 -2.46000 0.00000 2.38000 65.00000 HSE1_1GCQ-29_30.PDB 4.10640 -15.17000 -1.74000 -2.62000 -10.17000 -4.16000 10.64000 -12.70000 1.04000 6.31000 1.73000 0.00000 0.00000 0.00000 0.08000 0.86000 0.00000 -0.88000 0.00000 -2.71000 0.00000 2.38000 65.00000