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-12_1.PDB 3.98042 -11.01000 -2.97000 -3.12000 -7.02000 -2.57000 7.60000 -9.16000 1.72000 4.81000 1.70000 0.00000 0.00000 0.00000 0.10000 0.85000 0.00000 -0.43000 0.00000 -1.67000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_2.PDB 4.10457 -10.34000 -2.10000 -2.72000 -7.04000 -2.72000 7.83000 -9.21000 0.63000 5.25000 2.01000 0.00000 0.00000 0.00000 0.07000 0.82000 0.00000 -0.55000 0.00000 -1.79000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_3.PDB 4.17737 -10.69000 -2.11000 -2.31000 -7.00000 -2.81000 7.52000 -9.16000 0.81000 4.71000 1.60000 0.00000 0.00000 0.00000 0.22000 0.81000 0.00000 -0.42000 0.00000 -1.74000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_4.PDB 3.81285 -10.34000 -2.97000 -3.11000 -7.11000 -2.55000 7.78000 -9.25000 1.70000 4.97000 2.00000 0.00000 0.00000 0.00000 0.11000 0.85000 0.00000 -0.18000 0.00000 -1.74000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_5.PDB 3.87721 -11.29000 -2.94000 -4.75000 -7.32000 -2.93000 8.60000 -9.25000 1.87000 5.65000 1.48000 0.00000 0.00000 0.00000 0.10000 0.84000 0.00000 -0.19000 0.00000 -1.60000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_6.PDB 3.77924 -10.15000 -2.13000 -2.29000 -7.01000 -2.26000 7.20000 -9.25000 0.69000 4.70000 2.02000 0.00000 0.00000 0.00000 0.08000 0.82000 0.00000 -0.32000 0.00000 -1.58000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_7.PDB 3.32931 -10.50000 -2.96000 -3.07000 -6.84000 -2.28000 7.50000 -8.94000 1.61000 4.78000 1.24000 0.00000 0.00000 0.00000 0.09000 0.96000 0.00000 -0.20000 0.00000 -1.44000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_8.PDB 4.07596 -9.93000 -2.16000 -2.27000 -6.68000 -2.01000 6.91000 -8.91000 0.63000 4.94000 1.49000 0.00000 0.00000 0.00000 0.08000 0.95000 0.00000 -0.35000 0.00000 -1.59000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_9.PDB 3.57756 -10.24000 -2.93000 -3.07000 -6.99000 -2.40000 7.70000 -9.13000 1.87000 4.98000 1.52000 0.00000 0.00000 0.00000 0.08000 1.02000 0.00000 -0.19000 0.00000 -1.67000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_10.PDB 4.48404 -11.01000 -2.96000 -3.14000 -7.13000 -2.95000 7.91000 -9.18000 1.87000 4.86000 1.46000 0.00000 0.00000 0.00000 0.11000 0.85000 0.00000 -0.22000 0.00000 -1.64000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_11.PDB 3.88973 -10.06000 -2.11000 -2.24000 -6.87000 -2.23000 7.42000 -9.05000 0.60000 4.93000 1.20000 0.00000 0.00000 0.00000 0.17000 0.93000 0.00000 -0.34000 0.00000 -1.53000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_12.PDB 3.34873 -10.07000 -2.40000 -2.57000 -6.64000 -2.23000 7.42000 -8.67000 0.72000 4.66000 1.18000 0.00000 0.00000 0.00000 0.11000 0.97000 0.00000 -0.29000 0.00000 -1.37000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_13.PDB 3.59820 -10.73000 -2.95000 -4.82000 -7.02000 -2.21000 8.03000 -9.02000 1.65000 5.68000 1.43000 0.00000 0.00000 0.00000 0.09000 0.96000 0.00000 -0.18000 0.00000 -1.40000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_14.PDB 3.52661 -10.91000 -2.98000 -3.09000 -7.12000 -2.65000 7.92000 -9.22000 1.68000 4.71000 1.45000 0.00000 0.00000 0.00000 0.13000 0.83000 0.00000 -0.22000 0.00000 -1.52000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_15.PDB 3.55302 -10.94000 -2.96000 -3.10000 -7.02000 -2.31000 7.45000 -9.19000 1.66000 4.57000 1.48000 0.00000 0.00000 0.00000 0.13000 0.83000 0.00000 -0.24000 0.00000 -1.39000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_16.PDB 3.39621 -10.54000 -2.95000 -3.07000 -6.92000 -2.88000 7.96000 -8.91000 1.65000 5.06000 1.28000 0.00000 0.00000 0.00000 0.09000 0.96000 0.00000 -0.11000 0.00000 -1.73000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_17.PDB 3.63435 -10.17000 -2.93000 -3.03000 -6.73000 -1.99000 7.31000 -8.87000 1.53000 4.70000 1.33000 0.00000 0.00000 0.00000 0.06000 0.96000 0.00000 -0.19000 0.00000 -1.35000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_18.PDB 3.51076 -9.53000 -2.15000 -2.28000 -6.41000 -1.70000 6.60000 -8.57000 0.61000 4.48000 1.24000 0.00000 0.00000 0.00000 0.13000 0.90000 0.00000 -0.22000 0.00000 -1.28000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_19.PDB 3.56156 -10.61000 -2.92000 -3.07000 -7.23000 -2.68000 7.76000 -9.39000 1.82000 4.68000 1.86000 0.00000 0.00000 0.00000 0.11000 0.82000 0.00000 -0.19000 0.00000 -1.38000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_20.PDB 4.15534 -11.03000 -2.17000 -2.32000 -7.61000 -2.07000 7.72000 -9.99000 0.75000 4.99000 1.30000 0.00000 0.00000 0.00000 0.11000 0.83000 0.00000 -0.51000 0.00000 -1.23000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_21.PDB 3.68441 -10.15000 -2.02000 -4.40000 -6.85000 -1.72000 7.06000 -9.06000 0.64000 5.67000 1.92000 0.00000 0.00000 0.00000 0.09000 0.78000 0.00000 -0.35000 0.00000 -1.12000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_22.PDB 3.71013 -10.13000 -2.97000 -3.12000 -6.94000 -1.95000 7.30000 -9.11000 1.72000 4.34000 1.80000 0.00000 0.00000 0.00000 0.11000 0.82000 0.00000 -0.26000 0.00000 -1.05000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_23.PDB 3.74077 -10.97000 -2.14000 -4.06000 -7.10000 -2.39000 7.66000 -9.23000 0.73000 5.35000 1.98000 0.00000 0.00000 0.00000 0.09000 0.79000 0.00000 -0.56000 0.00000 -1.29000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_24.PDB 3.65933 -9.71000 -2.06000 -2.21000 -7.01000 -2.12000 7.17000 -9.28000 0.88000 4.58000 2.04000 0.00000 0.00000 0.00000 0.09000 0.79000 0.00000 -0.41000 0.00000 -1.40000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_25.PDB 3.88188 -10.66000 -2.98000 -3.12000 -7.04000 -2.58000 7.55000 -9.13000 1.78000 4.52000 1.76000 0.00000 0.00000 0.00000 0.11000 0.83000 0.00000 -0.25000 0.00000 -1.28000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_26.PDB 4.12271 -10.29000 -2.12000 -2.34000 -7.10000 -2.46000 7.59000 -9.29000 0.77000 4.57000 2.06000 0.00000 0.00000 0.00000 0.11000 0.76000 0.00000 -0.57000 0.00000 -1.50000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_27.PDB 4.20268 -10.68000 -2.97000 -3.14000 -7.18000 -2.71000 7.92000 -9.30000 1.88000 4.63000 1.81000 0.00000 0.00000 0.00000 0.12000 0.82000 0.00000 -0.26000 0.00000 -1.48000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_28.PDB 3.09310 -9.72000 -2.95000 -3.08000 -7.04000 -2.35000 7.99000 -9.02000 1.77000 4.89000 1.42000 0.00000 0.00000 0.00000 0.09000 0.97000 0.00000 -0.13000 0.00000 -1.30000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_29.PDB 3.82507 -10.19000 -2.05000 -2.18000 -6.95000 -2.17000 7.17000 -9.28000 0.65000 4.52000 1.91000 0.00000 0.00000 0.00000 0.12000 0.72000 0.00000 -0.51000 0.00000 -1.42000 0.00000 2.38000 63.00000 HSE1_1GCQ-12_30.PDB 3.86058 -9.80000 -2.13000 -2.26000 -6.77000 -2.06000 6.95000 -8.96000 0.70000 4.43000 1.86000 0.00000 0.00000 0.00000 0.13000 0.78000 0.00000 -0.33000 0.00000 -1.36000 0.00000 2.38000 63.00000