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-14_1.PDB 4.74509 -11.81000 -1.06000 -1.91000 -9.66000 -2.07000 8.93000 -13.31000 1.85000 4.46000 2.40000 0.00000 0.00000 0.00000 0.33000 0.94000 0.00000 -0.62000 0.00000 -1.15000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_2.PDB 5.03173 -11.57000 -2.77000 -3.40000 -10.10000 -2.09000 10.69000 -13.57000 2.61000 5.77000 2.55000 0.00000 0.00000 0.00000 0.36000 0.88000 0.00000 -0.44000 0.00000 -1.19000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_3.PDB 3.78861 -12.74000 -1.02000 -2.78000 -8.91000 -2.13000 8.58000 -12.18000 0.46000 4.79000 1.91000 0.00000 0.00000 0.00000 0.26000 0.91000 0.00000 -0.44000 0.00000 -1.27000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_4.PDB 4.18353 -12.00000 -2.44000 -3.35000 -8.77000 -1.80000 9.27000 -11.94000 0.65000 5.51000 2.38000 0.00000 0.00000 0.00000 0.07000 0.96000 0.00000 -0.38000 0.00000 -1.20000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_5.PDB 4.33516 -10.83000 -2.75000 -3.48000 -9.83000 -2.10000 10.48000 -13.15000 2.89000 5.64000 2.82000 0.00000 0.00000 0.00000 0.34000 0.98000 0.00000 -0.47000 0.00000 -1.22000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_6.PDB 2.97269 -10.83000 -1.00000 -2.17000 -8.98000 -1.96000 8.58000 -12.36000 1.24000 4.64000 2.30000 0.00000 0.00000 0.00000 0.23000 0.96000 0.00000 -0.22000 0.00000 -1.13000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_7.PDB 4.01372 -11.62000 -2.70000 -3.50000 -9.81000 -2.28000 10.46000 -13.04000 2.58000 5.65000 2.85000 0.00000 0.00000 0.00000 0.11000 0.93000 0.00000 -0.56000 0.00000 -1.39000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_8.PDB 4.12358 -11.85000 -1.42000 -2.06000 -10.08000 -2.25000 9.32000 -13.61000 2.13000 4.81000 2.47000 0.00000 0.00000 0.00000 0.37000 1.01000 0.00000 -0.29000 0.00000 -1.24000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_9.PDB 4.35868 -12.27000 -2.74000 -2.73000 -9.92000 -2.79000 10.67000 -13.13000 1.83000 5.89000 2.46000 0.00000 0.00000 0.00000 0.12000 1.11000 0.00000 -0.47000 0.00000 -1.46000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_10.PDB 3.66582 -11.23000 -2.75000 -3.05000 -9.58000 -2.26000 10.17000 -12.78000 2.55000 5.34000 2.73000 0.00000 0.00000 0.00000 0.09000 0.94000 0.00000 -0.33000 0.00000 -1.36000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_11.PDB 4.87106 -11.99000 -1.05000 -1.92000 -9.49000 -1.90000 8.65000 -13.09000 1.66000 4.35000 2.28000 0.00000 0.00000 0.00000 0.28000 0.84000 0.00000 -0.67000 0.00000 -1.11000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_12.PDB 3.27108 -12.62000 -1.01000 -1.87000 -8.74000 -2.57000 8.40000 -11.88000 0.45000 4.34000 2.06000 0.00000 0.00000 0.00000 0.28000 1.06000 0.00000 -0.65000 0.00000 -1.43000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_13.PDB 4.04950 -11.82000 -2.66000 -3.19000 -9.56000 -2.39000 10.59000 -12.70000 1.54000 5.89000 2.48000 0.00000 0.00000 0.00000 0.08000 1.12000 0.00000 -0.37000 0.00000 -1.52000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_14.PDB 3.96670 -12.32000 -1.03000 -2.55000 -9.06000 -2.27000 9.06000 -12.31000 0.63000 4.85000 2.10000 0.00000 0.00000 0.00000 0.22000 1.03000 0.00000 -0.74000 0.00000 -1.22000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_15.PDB 3.76599 -11.45000 -1.70000 -2.54000 -10.07000 -2.67000 10.14000 -13.42000 1.94000 5.42000 2.79000 0.00000 0.00000 0.00000 0.20000 1.02000 0.00000 -0.18000 0.00000 -1.37000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_16.PDB 3.00956 -12.15000 -1.70000 -2.52000 -9.14000 -2.44000 9.13000 -12.39000 0.89000 4.97000 2.45000 0.00000 0.00000 0.00000 0.09000 1.05000 0.00000 -0.27000 0.00000 -1.22000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_17.PDB 3.42102 -12.82000 -1.05000 -4.32000 -10.33000 -3.11000 11.20000 -13.70000 2.45000 5.68000 2.46000 0.00000 0.00000 0.00000 0.38000 1.11000 0.00000 -0.60000 0.00000 -1.87000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_18.PDB 4.65426 -14.19000 -2.70000 -6.01000 -9.00000 -3.03000 10.90000 -11.66000 0.57000 6.44000 2.47000 0.00000 0.00000 0.00000 0.27000 0.79000 0.00000 -0.50000 0.00000 -1.92000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_19.PDB 3.73462 -12.48000 -1.77000 -5.09000 -9.88000 -3.89000 11.51000 -12.57000 3.06000 6.23000 2.18000 0.00000 0.00000 0.00000 0.21000 1.10000 0.00000 -0.37000 0.00000 -2.10000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_20.PDB 3.46956 -11.83000 -1.06000 -2.62000 -9.41000 -2.30000 8.99000 -12.74000 1.64000 4.73000 2.38000 0.00000 0.00000 0.00000 0.22000 0.91000 0.00000 -0.21000 0.00000 -1.47000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_21.PDB 3.85401 -14.36000 -2.70000 -6.02000 -9.81000 -3.21000 11.72000 -12.54000 1.42000 6.80000 2.34000 0.00000 0.00000 0.00000 0.05000 1.14000 0.00000 -0.47000 0.00000 -1.93000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_22.PDB 4.65086 -11.74000 -1.83000 -2.60000 -9.72000 -2.43000 10.03000 -12.92000 1.74000 5.45000 2.59000 0.00000 0.00000 0.00000 0.25000 0.94000 0.00000 -0.92000 0.00000 -1.39000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_23.PDB 3.84154 -11.92000 -1.06000 -1.09000 -10.13000 -2.65000 9.66000 -13.67000 1.50000 4.86000 2.39000 0.00000 0.00000 0.00000 0.21000 1.10000 0.00000 -0.43000 0.00000 -1.51000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_24.PDB 4.24080 -11.98000 -1.00000 -1.81000 -8.93000 -1.83000 8.44000 -12.43000 0.46000 4.56000 1.92000 0.00000 0.00000 0.00000 0.22000 1.04000 0.00000 -0.47000 0.00000 -1.11000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_25.PDB 4.87487 -11.53000 -2.79000 -3.63000 -9.76000 -2.20000 10.20000 -13.01000 2.62000 5.87000 2.60000 0.00000 0.00000 0.00000 0.30000 0.90000 0.00000 -0.42000 0.00000 -1.31000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_26.PDB 4.04542 -11.43000 -1.01000 -1.08000 -9.54000 -1.90000 8.46000 -13.18000 2.03000 3.80000 2.64000 0.00000 0.00000 0.00000 0.12000 1.04000 0.00000 -0.71000 0.00000 -1.06000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_27.PDB 2.69266 -11.39000 -1.01000 -1.91000 -9.16000 -2.06000 8.63000 -12.52000 1.76000 4.34000 2.28000 0.00000 0.00000 0.00000 0.15000 0.94000 0.00000 -0.55000 0.00000 -1.35000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_28.PDB 3.91635 -10.31000 -2.79000 -2.76000 -10.47000 -1.90000 11.44000 -13.54000 2.51000 5.57000 2.96000 0.00000 0.00000 0.00000 0.10000 1.01000 0.00000 -0.42000 0.00000 -1.01000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_29.PDB 4.74972 -13.40000 -2.54000 -5.83000 -9.37000 -2.86000 11.43000 -12.18000 0.67000 6.49000 2.38000 0.00000 0.00000 0.00000 0.28000 0.97000 0.00000 -0.14000 0.00000 -1.74000 0.00000 2.38000 64.00000 HSE1_1GCQ-14_30.PDB 3.92004 -11.75000 -2.72000 -3.48000 -9.03000 -2.15000 9.89000 -12.10000 1.49000 5.47000 2.43000 0.00000 0.00000 0.00000 0.08000 0.90000 0.00000 -0.33000 0.00000 -1.30000 0.00000 2.38000 64.00000