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-27_1.PDB 6.94175 -10.32000 -3.20000 -4.95000 -10.29000 -3.90000 13.35000 -11.43000 3.30000 7.10000 3.66000 0.00000 0.00000 0.00000 0.41000 1.37000 0.00000 -1.36000 0.00000 -2.99000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_2.PDB 7.64691 -10.97000 -3.24000 -7.48000 -10.33000 -3.77000 14.04000 -11.39000 2.40000 8.13000 4.03000 0.00000 0.00000 0.00000 0.55000 1.27000 0.00000 -0.92000 0.00000 -3.00000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_3.PDB 6.91450 -10.99000 -3.19000 -5.31000 -10.09000 -4.21000 13.57000 -11.07000 2.16000 7.26000 4.13000 0.00000 0.00000 0.00000 0.41000 1.37000 0.00000 -1.70000 0.00000 -2.96000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_4.PDB 7.46182 -9.62000 -3.18000 -7.18000 -10.19000 -3.69000 13.73000 -11.24000 2.95000 7.99000 4.42000 0.00000 0.00000 0.00000 0.37000 1.17000 0.00000 -0.81000 0.00000 -2.80000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_5.PDB 6.85384 -9.30000 -2.46000 -4.67000 -10.25000 -3.59000 13.19000 -11.46000 2.45000 7.61000 3.21000 0.00000 0.00000 0.00000 0.39000 1.29000 0.00000 -0.84000 0.00000 -2.90000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_6.PDB 7.88135 -8.99000 -2.63000 -6.73000 -9.88000 -3.22000 13.22000 -11.14000 2.02000 7.95000 4.43000 0.00000 0.00000 0.00000 0.38000 1.19000 0.00000 -0.78000 0.00000 -2.61000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_7.PDB 6.67896 -8.79000 -3.62000 -5.80000 -10.17000 -3.16000 13.48000 -11.44000 3.31000 7.56000 4.33000 0.00000 0.00000 0.00000 0.39000 1.35000 0.00000 -1.16000 0.00000 -2.52000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_8.PDB 6.97357 -8.18000 -3.23000 -3.23000 -9.16000 -3.56000 12.82000 -9.77000 2.26000 6.67000 3.03000 0.00000 0.00000 0.00000 0.31000 1.28000 0.00000 -1.79000 0.00000 -2.52000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_9.PDB 7.32105 -8.98000 -3.47000 -5.66000 -9.43000 -3.77000 13.41000 -10.31000 2.46000 7.55000 4.10000 0.00000 0.00000 0.00000 0.36000 1.17000 0.00000 -1.40000 0.00000 -2.83000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_10.PDB 7.51332 -10.10000 -4.12000 -6.47000 -9.47000 -3.97000 13.16000 -10.21000 3.85000 6.98000 4.03000 0.00000 0.00000 0.00000 0.46000 1.27000 0.00000 -1.38000 0.00000 -2.98000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_11.PDB 6.49325 -7.77000 -2.63000 -4.37000 -9.05000 -3.34000 11.94000 -10.24000 3.28000 6.58000 3.78000 0.00000 0.00000 0.00000 0.38000 1.23000 0.00000 -1.47000 0.00000 -2.63000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_12.PDB 6.67502 -10.49000 -3.21000 -5.32000 -9.75000 -4.39000 13.30000 -10.58000 2.81000 7.11000 3.64000 0.00000 0.00000 0.00000 0.48000 1.33000 0.00000 -1.41000 0.00000 -3.18000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_13.PDB 6.50735 -9.07000 -3.26000 -4.98000 -9.37000 -3.59000 12.93000 -10.30000 2.82000 6.82000 3.37000 0.00000 0.00000 0.00000 0.34000 1.17000 0.00000 -0.94000 0.00000 -2.91000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_14.PDB 7.05396 -8.23000 -3.29000 -4.85000 -9.45000 -3.73000 12.79000 -10.32000 2.95000 6.77000 3.62000 0.00000 0.00000 0.00000 0.78000 1.21000 0.00000 -0.77000 0.00000 -2.74000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_15.PDB 6.59145 -9.09000 -3.67000 -5.40000 -9.58000 -3.54000 12.98000 -10.67000 3.60000 6.97000 3.79000 0.00000 0.00000 0.00000 0.49000 1.29000 0.00000 -1.39000 0.00000 -2.69000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_16.PDB 6.87103 -8.99000 -3.18000 -4.01000 -9.39000 -4.01000 13.16000 -10.19000 2.00000 6.84000 3.61000 0.00000 0.00000 0.00000 0.36000 1.12000 0.00000 -1.13000 0.00000 -3.05000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_17.PDB 6.91335 -11.62000 -3.60000 -5.56000 -10.57000 -3.88000 14.31000 -11.70000 2.37000 7.51000 3.82000 0.00000 0.00000 0.00000 0.42000 1.32000 0.00000 -1.69000 0.00000 -3.05000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_18.PDB 7.39242 -8.72000 -3.74000 -4.59000 -10.45000 -3.10000 13.78000 -11.76000 2.40000 7.47000 5.00000 0.00000 0.00000 0.00000 0.61000 1.33000 0.00000 -1.76000 0.00000 -2.58000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_19.PDB 6.70507 -9.71000 -3.75000 -4.61000 -10.49000 -4.14000 14.35000 -11.56000 2.61000 7.75000 4.05000 0.00000 0.00000 0.00000 0.43000 1.37000 0.00000 -1.17000 0.00000 -3.19000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_20.PDB 6.77125 -6.32000 -2.67000 -3.34000 -8.97000 -2.64000 12.22000 -9.96000 2.67000 6.10000 3.20000 0.00000 0.00000 0.00000 0.20000 1.21000 0.00000 -0.97000 0.00000 -2.18000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_21.PDB 7.08435 -11.05000 -3.70000 -5.06000 -9.77000 -3.61000 13.32000 -10.58000 2.15000 6.67000 2.97000 0.00000 0.00000 0.00000 0.36000 1.36000 0.00000 -1.12000 0.00000 -2.68000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_22.PDB 7.04634 -10.98000 -3.61000 -7.48000 -10.31000 -3.26000 13.77000 -11.47000 2.81000 7.77000 4.47000 0.00000 0.00000 0.00000 0.50000 1.29000 0.00000 -1.61000 0.00000 -2.56000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_23.PDB 6.68233 -10.02000 -3.83000 -4.69000 -10.35000 -4.12000 14.07000 -11.45000 2.42000 7.59000 3.93000 0.00000 0.00000 0.00000 0.45000 1.40000 0.00000 -0.93000 0.00000 -3.12000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_24.PDB 7.23845 -8.33000 -4.25000 -6.88000 -10.52000 -3.28000 15.04000 -11.75000 3.99000 8.18000 4.45000 0.00000 0.00000 0.00000 0.61000 1.36000 0.00000 -1.29000 0.00000 -2.63000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_25.PDB 7.39205 -8.97000 -3.58000 -6.07000 -9.48000 -3.14000 13.64000 -10.71000 2.12000 7.39000 4.40000 0.00000 0.00000 0.00000 0.28000 1.16000 0.00000 -1.29000 0.00000 -2.54000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_26.PDB 7.11039 -11.12000 -3.66000 -5.72000 -10.40000 -4.20000 14.14000 -11.40000 2.64000 7.52000 4.07000 0.00000 0.00000 0.00000 0.44000 1.27000 0.00000 -1.41000 0.00000 -3.14000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_27.PDB 6.74228 -8.20000 -3.82000 -4.68000 -9.50000 -3.46000 13.25000 -10.56000 2.47000 7.32000 4.20000 0.00000 0.00000 0.00000 0.35000 1.21000 0.00000 -1.04000 0.00000 -2.73000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_28.PDB 7.14358 -10.49000 -4.32000 -5.07000 -10.33000 -4.15000 14.65000 -11.31000 2.56000 7.55000 4.04000 0.00000 0.00000 0.00000 0.44000 1.31000 0.00000 -1.46000 0.00000 -3.09000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_29.PDB 5.97701 -7.09000 -3.75000 -4.54000 -10.01000 -3.15000 13.80000 -11.25000 3.43000 7.54000 4.40000 0.00000 0.00000 0.00000 0.27000 1.23000 0.00000 -1.28000 0.00000 -2.54000 0.00000 2.38000 64.00000 HSE1_1GCQ-27_30.PDB 7.50361 -9.59000 -3.64000 -7.42000 -9.79000 -3.52000 13.84000 -10.78000 3.32000 7.78000 4.28000 0.00000 0.00000 0.00000 0.40000 1.16000 0.00000 -1.31000 0.00000 -2.75000 0.00000 2.38000 64.00000