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-15_1.PDB 4.97692 -11.77000 -1.86000 -5.12000 -9.39000 -3.31000 11.31000 -11.73000 0.94000 7.06000 2.68000 0.00000 0.00000 0.00000 0.21000 0.68000 0.00000 -0.23000 0.00000 -2.33000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_2.PDB 4.59670 -12.70000 -1.48000 -3.24000 -9.61000 -3.26000 10.45000 -12.28000 0.70000 5.89000 2.54000 0.00000 0.00000 0.00000 0.29000 0.85000 0.00000 -0.63000 0.00000 -2.07000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_3.PDB 4.86986 -12.80000 -1.50000 -4.34000 -9.65000 -3.26000 10.29000 -12.28000 1.38000 6.32000 2.65000 0.00000 0.00000 0.00000 0.26000 0.87000 0.00000 -0.53000 0.00000 -2.11000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_4.PDB 4.91121 -12.87000 -3.22000 -6.09000 -10.36000 -3.31000 12.56000 -12.59000 1.43000 7.93000 3.09000 0.00000 0.00000 0.00000 0.30000 0.86000 0.00000 -0.43000 0.00000 -2.18000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_5.PDB 4.08360 -13.06000 -2.33000 -4.92000 -10.00000 -3.48000 10.98000 -12.46000 1.24000 7.35000 3.01000 0.00000 0.00000 0.00000 0.15000 0.89000 0.00000 -0.39000 0.00000 -2.20000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_6.PDB 4.91523 -13.20000 -1.49000 -4.70000 -9.42000 -3.28000 9.96000 -12.19000 1.13000 6.44000 2.46000 0.00000 0.00000 0.00000 0.20000 0.85000 0.00000 -0.24000 0.00000 -2.09000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_7.PDB 5.45444 -11.48000 -3.59000 -6.00000 -10.16000 -3.28000 13.15000 -12.24000 2.22000 8.00000 3.09000 0.00000 0.00000 0.00000 0.36000 0.76000 0.00000 -0.83000 0.00000 -2.20000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_8.PDB 5.64168 -12.61000 -3.73000 -6.82000 -9.98000 -4.30000 13.92000 -11.55000 1.93000 8.31000 2.62000 0.00000 0.00000 0.00000 0.30000 0.81000 0.00000 -0.39000 0.00000 -2.93000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_9.PDB 3.89029 -11.55000 -2.12000 -4.68000 -9.25000 -2.82000 10.78000 -11.60000 1.74000 6.09000 2.51000 0.00000 0.00000 0.00000 0.10000 0.81000 0.00000 -0.44000 0.00000 -1.86000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_10.PDB 4.41603 -11.47000 -1.80000 -4.55000 -9.34000 -3.24000 11.09000 -11.82000 1.58000 6.49000 2.60000 0.00000 0.00000 0.00000 0.14000 0.62000 0.00000 -0.34000 0.00000 -2.27000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_11.PDB 5.64523 -9.64000 -1.88000 -4.13000 -9.29000 -3.25000 10.96000 -11.59000 2.78000 6.37000 2.76000 0.00000 0.00000 0.00000 0.32000 0.80000 0.00000 -0.48000 0.00000 -2.22000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_12.PDB 3.46558 -12.46000 -1.46000 -4.57000 -9.39000 -3.29000 10.05000 -12.10000 1.90000 6.38000 2.59000 0.00000 0.00000 0.00000 0.08000 0.87000 0.00000 -0.51000 0.00000 -2.14000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_13.PDB 4.97035 -11.39000 -2.62000 -5.53000 -9.44000 -3.42000 12.19000 -11.16000 1.17000 7.36000 2.80000 0.00000 0.00000 0.00000 0.17000 0.85000 0.00000 -0.58000 0.00000 -2.33000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_14.PDB 2.97864 -8.31000 -0.96000 -2.02000 -7.66000 -2.09000 8.49000 -10.15000 1.60000 3.88000 2.52000 0.00000 0.00000 0.00000 0.07000 0.73000 0.00000 -0.43000 0.00000 -1.57000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_15.PDB 4.10162 -12.64000 -1.79000 -4.78000 -10.04000 -4.29000 11.61000 -12.34000 2.34000 6.69000 2.66000 0.00000 0.00000 0.00000 0.24000 1.05000 0.00000 -0.32000 0.00000 -2.60000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_16.PDB 3.58113 -15.19000 -3.34000 -5.96000 -10.34000 -4.20000 12.68000 -12.47000 0.83000 7.90000 2.67000 0.00000 0.00000 0.00000 0.13000 0.95000 0.00000 -0.36000 0.00000 -2.74000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_17.PDB 3.95066 -11.63000 -1.46000 -3.10000 -9.30000 -3.15000 10.13000 -11.64000 1.21000 5.65000 2.34000 0.00000 0.00000 0.00000 0.20000 0.76000 0.00000 -0.51000 0.00000 -1.99000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_18.PDB 4.45819 -11.55000 -3.48000 -5.55000 -9.76000 -3.20000 12.30000 -12.07000 1.69000 7.74000 3.05000 0.00000 0.00000 0.00000 0.16000 0.75000 0.00000 -0.22000 0.00000 -2.22000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_19.PDB 4.46239 -13.04000 -1.60000 -4.28000 -9.74000 -3.36000 10.68000 -12.28000 0.80000 6.39000 2.63000 0.00000 0.00000 0.00000 0.29000 0.87000 0.00000 -0.53000 0.00000 -2.04000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_20.PDB 3.54174 -13.41000 -1.57000 -4.97000 -9.27000 -3.31000 9.92000 -11.93000 1.30000 6.33000 2.46000 0.00000 0.00000 0.00000 0.08000 0.77000 0.00000 -0.36000 0.00000 -2.07000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_21.PDB 3.58226 -13.40000 -1.43000 -4.24000 -9.70000 -3.45000 10.09000 -12.43000 0.96000 6.48000 2.59000 0.00000 0.00000 0.00000 0.14000 0.89000 0.00000 -0.20000 0.00000 -2.20000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_22.PDB 3.95895 -12.39000 -1.56000 -3.54000 -9.22000 -3.09000 9.87000 -11.58000 0.87000 5.63000 2.29000 0.00000 0.00000 0.00000 0.14000 0.79000 0.00000 -0.31000 0.00000 -1.89000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_23.PDB 4.30603 -10.35000 -1.86000 -3.67000 -8.43000 -3.18000 9.99000 -10.64000 1.83000 5.63000 2.16000 0.00000 0.00000 0.00000 0.13000 0.67000 0.00000 -0.27000 0.00000 -2.05000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_24.PDB 3.65295 -11.68000 -1.53000 -3.71000 -9.06000 -3.06000 9.38000 -11.68000 2.00000 5.71000 2.24000 0.00000 0.00000 0.00000 0.09000 0.72000 0.00000 -0.23000 0.00000 -1.84000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_25.PDB 4.21693 -12.59000 -1.48000 -4.15000 -9.72000 -3.74000 11.10000 -12.16000 0.90000 6.56000 2.69000 0.00000 0.00000 0.00000 0.21000 0.88000 0.00000 -0.42000 0.00000 -2.38000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_26.PDB 5.17443 -13.33000 -1.47000 -5.14000 -9.46000 -3.65000 10.69000 -11.86000 1.06000 6.85000 2.23000 0.00000 0.00000 0.00000 0.40000 0.78000 0.00000 -0.61000 0.00000 -2.36000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_27.PDB 3.78290 -11.81000 -1.48000 -3.58000 -9.04000 -3.30000 10.10000 -11.26000 1.33000 5.55000 2.15000 0.00000 0.00000 0.00000 0.15000 0.78000 0.00000 -0.41000 0.00000 -2.03000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_28.PDB 3.82360 -9.62000 -2.45000 -4.26000 -8.21000 -3.01000 10.02000 -9.96000 1.27000 6.45000 2.82000 0.00000 0.00000 0.00000 0.11000 0.76000 0.00000 -0.36000 0.00000 -2.06000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_29.PDB 4.33897 -11.00000 -1.86000 -3.74000 -8.94000 -3.21000 10.18000 -11.45000 2.10000 5.96000 2.30000 0.00000 0.00000 0.00000 0.14000 0.66000 0.00000 -0.30000 0.00000 -2.18000 0.00000 2.38000 64.00000 HSE1_1GCQ-15_30.PDB 4.98247 -11.06000 -1.76000 -5.03000 -9.03000 -3.21000 10.77000 -11.39000 1.46000 6.86000 2.48000 0.00000 0.00000 0.00000 0.20000 0.79000 0.00000 -0.23000 0.00000 -2.19000 0.00000 2.38000 64.00000