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-11_1.PDB 2.13422 -7.34000 -1.64000 -3.25000 -7.08000 -1.34000 8.45000 -9.06000 0.90000 3.68000 2.96000 0.00000 0.00000 0.00000 0.08000 0.44000 0.00000 -0.31000 0.00000 -0.74000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_2.PDB 2.20879 -7.83000 -1.94000 -3.67000 -7.12000 -0.97000 8.41000 -9.14000 0.87000 3.76000 2.91000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.41000 0.00000 -0.62000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_3.PDB 1.86635 -6.86000 -1.18000 -2.22000 -6.38000 -0.48000 6.38000 -8.40000 0.88000 2.53000 2.46000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.11000 0.00000 -0.40000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_4.PDB 2.15013 -8.10000 -1.93000 -3.72000 -7.32000 -1.03000 8.65000 -9.31000 0.87000 3.83000 3.02000 0.00000 0.00000 0.00000 0.09000 0.50000 0.00000 -0.60000 0.00000 -0.64000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_5.PDB 1.94307 -8.54000 -1.16000 -3.15000 -7.20000 -1.70000 8.54000 -9.26000 1.20000 3.61000 2.33000 0.00000 0.00000 0.00000 0.07000 0.63000 0.00000 -0.91000 0.00000 -0.91000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_6.PDB 1.64755 -8.35000 -1.16000 -4.61000 -7.00000 -1.61000 8.92000 -8.98000 0.81000 4.14000 2.83000 0.00000 0.00000 0.00000 0.08000 0.56000 0.00000 -0.88000 0.00000 -0.90000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_7.PDB 2.01999 -8.33000 -1.92000 -5.42000 -7.01000 -0.75000 8.62000 -9.01000 0.80000 3.97000 3.12000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.51000 0.00000 -0.31000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_8.PDB 2.09750 -8.23000 -1.92000 -5.38000 -6.99000 -1.05000 8.87000 -8.98000 0.81000 4.03000 3.52000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.53000 0.00000 -0.69000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_9.PDB 2.21787 -7.80000 -1.17000 -4.59000 -6.95000 -1.41000 8.75000 -8.90000 0.92000 4.13000 2.82000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.83000 0.00000 -0.65000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_10.PDB 1.59538 -6.55000 -1.16000 -4.59000 -6.19000 -0.79000 7.29000 -7.72000 0.83000 4.03000 2.74000 0.00000 0.00000 0.00000 0.05000 0.55000 0.00000 -0.34000 0.00000 -0.70000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_11.PDB 2.33903 -8.29000 -1.90000 -5.38000 -7.18000 -0.71000 8.84000 -9.19000 0.96000 4.07000 3.20000 0.00000 0.00000 0.00000 0.09000 0.75000 0.00000 -0.75000 0.00000 -0.31000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_12.PDB 1.61451 -6.89000 -1.17000 -4.62000 -5.94000 -0.53000 6.93000 -7.68000 0.81000 3.67000 2.52000 0.00000 0.00000 0.00000 0.06000 0.32000 0.00000 -0.46000 0.00000 -0.49000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_13.PDB 2.15133 -7.42000 -1.99000 -5.23000 -6.71000 -1.23000 9.17000 -8.34000 0.86000 4.19000 3.51000 0.00000 0.00000 0.00000 0.08000 0.67000 0.00000 -0.84000 0.00000 -0.88000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_14.PDB 1.62602 -8.22000 -1.16000 -4.65000 -7.27000 -1.81000 9.30000 -9.34000 1.16000 4.40000 2.90000 0.00000 0.00000 0.00000 0.08000 0.49000 0.00000 -0.91000 0.00000 -0.91000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_15.PDB 2.21036 -8.09000 -1.91000 -5.41000 -7.25000 -0.92000 9.18000 -9.24000 0.89000 4.24000 3.48000 0.00000 0.00000 0.00000 0.10000 0.54000 0.00000 -0.72000 0.00000 -0.53000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_16.PDB 1.82056 -7.37000 -1.15000 -4.60000 -7.33000 -1.65000 9.38000 -9.31000 1.49000 4.24000 2.74000 0.00000 0.00000 0.00000 0.08000 0.63000 0.00000 -0.39000 0.00000 -0.88000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_17.PDB 1.78492 -7.08000 -1.21000 -3.12000 -6.14000 -1.61000 8.14000 -7.69000 0.99000 3.23000 2.00000 0.00000 0.00000 0.00000 0.05000 0.52000 0.00000 -0.94000 0.00000 -0.77000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_18.PDB 2.19921 -7.88000 -1.18000 -4.49000 -7.00000 -1.78000 9.07000 -8.95000 1.10000 4.17000 2.90000 0.00000 0.00000 0.00000 0.07000 0.67000 0.00000 -0.72000 0.00000 -1.08000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_19.PDB 2.06136 -7.95000 -1.93000 -5.42000 -7.26000 -0.79000 8.91000 -9.36000 1.28000 4.19000 3.27000 0.00000 0.00000 0.00000 0.09000 0.78000 0.00000 -0.47000 0.00000 -0.45000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_20.PDB 1.89705 -8.31000 -1.18000 -4.55000 -7.10000 -1.68000 9.37000 -9.01000 0.87000 3.91000 2.74000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -0.86000 0.00000 -0.91000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_21.PDB 2.19349 -6.83000 -2.05000 -3.52000 -6.26000 -0.95000 8.28000 -7.83000 0.89000 3.33000 2.71000 0.00000 0.00000 0.00000 0.08000 0.56000 0.00000 -0.94000 0.00000 -0.57000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_22.PDB 2.17549 -7.26000 -1.84000 -5.26000 -7.23000 -1.20000 9.41000 -9.17000 0.93000 4.33000 3.67000 0.00000 0.00000 0.00000 0.08000 0.64000 0.00000 -0.26000 0.00000 -0.74000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_23.PDB 2.13354 -7.85000 -1.87000 -5.30000 -6.99000 -1.02000 8.98000 -8.95000 0.84000 4.05000 3.41000 0.00000 0.00000 0.00000 0.08000 0.56000 0.00000 -0.51000 0.00000 -0.57000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_24.PDB 1.95366 -7.08000 -1.95000 -3.71000 -7.20000 -0.95000 8.87000 -9.02000 1.20000 3.84000 2.91000 0.00000 0.00000 0.00000 0.10000 0.41000 0.00000 -0.54000 0.00000 -0.61000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_25.PDB 1.57445 -8.21000 -1.78000 -3.56000 -7.33000 -1.03000 8.26000 -9.36000 1.01000 3.91000 3.17000 0.00000 0.00000 0.00000 0.11000 0.43000 0.00000 -0.93000 0.00000 -0.67000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_26.PDB 1.81161 -7.96000 -1.16000 -5.55000 -7.92000 -1.93000 10.10000 -9.35000 0.97000 5.07000 2.87000 0.00000 0.00000 0.00000 0.08000 0.48000 0.00000 -0.25000 0.00000 -0.88000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_27.PDB 1.86415 -8.06000 -1.20000 -4.75000 -6.86000 -1.82000 9.10000 -8.75000 0.94000 4.09000 2.73000 0.00000 0.00000 0.00000 0.07000 0.59000 0.00000 -0.67000 0.00000 -0.93000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_28.PDB 1.99642 -8.10000 -1.22000 -3.23000 -6.85000 -1.77000 8.53000 -8.79000 1.02000 3.60000 2.37000 0.00000 0.00000 0.00000 0.07000 0.64000 0.00000 -0.96000 0.00000 -0.88000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_29.PDB 1.84878 -7.65000 -1.24000 -2.85000 -7.26000 -1.51000 8.62000 -9.29000 0.93000 3.93000 2.49000 0.00000 0.00000 0.00000 0.10000 0.49000 0.00000 -0.73000 0.00000 -0.84000 0.00000 2.38000 62.00000 HSE1_1GCQ-11_30.PDB 2.06422 -7.13000 -1.88000 -3.60000 -6.68000 -1.00000 8.31000 -8.50000 0.79000 3.41000 2.79000 0.00000 0.00000 0.00000 0.08000 0.44000 0.00000 -0.27000 0.00000 -0.59000 0.00000 2.38000 62.00000