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-7_1.PDB 2.46775 -5.00000 -0.51000 -1.93000 -5.81000 -0.06000 5.35000 -7.99000 0.87000 3.24000 2.33000 0.00000 0.00000 0.00000 0.06000 0.34000 0.00000 -0.48000 0.00000 -0.07000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_2.PDB 2.20690 -5.15000 -0.87000 -4.05000 -6.05000 0.25000 6.12000 -8.10000 1.03000 4.09000 3.02000 0.00000 0.00000 0.00000 0.06000 0.34000 0.00000 -0.88000 0.00000 0.22000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_3.PDB 1.93283 -5.68000 -0.54000 -3.51000 -6.83000 -0.07000 7.10000 -8.89000 0.94000 3.89000 2.92000 0.00000 0.00000 0.00000 0.10000 0.51000 0.00000 -0.71000 0.00000 -0.07000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_4.PDB 2.15145 -4.67000 -0.50000 -1.94000 -5.67000 -0.02000 5.36000 -7.88000 0.79000 3.23000 2.41000 0.00000 0.00000 0.00000 0.04000 0.31000 0.00000 -0.49000 0.00000 -0.02000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_5.PDB 1.82701 -4.44000 -0.52000 -3.74000 -6.56000 0.33000 6.47000 -8.76000 1.74000 4.30000 2.93000 0.00000 0.00000 0.00000 0.07000 0.34000 0.00000 -0.99000 0.00000 0.28000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_6.PDB 2.38519 -4.87000 -0.49000 -3.48000 -6.04000 0.38000 6.00000 -8.06000 0.78000 4.00000 2.38000 0.00000 0.00000 0.00000 0.06000 0.34000 0.00000 -0.75000 0.00000 0.36000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_7.PDB 2.81834 -4.83000 -0.51000 -1.94000 -6.41000 -0.02000 5.64000 -8.79000 1.88000 3.62000 2.24000 0.00000 0.00000 0.00000 0.09000 0.34000 0.00000 -0.56000 0.00000 -0.07000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_8.PDB 2.54792 -5.67000 -0.94000 -1.92000 -6.91000 0.03000 7.01000 -8.96000 0.95000 3.19000 2.33000 0.00000 0.00000 0.00000 0.07000 0.54000 0.00000 -0.57000 0.00000 0.04000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_9.PDB 2.71504 -4.27000 -0.51000 -3.61000 -6.56000 0.44000 6.54000 -8.58000 1.70000 4.22000 2.49000 0.00000 0.00000 0.00000 0.09000 0.36000 0.00000 -0.90000 0.00000 0.40000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_10.PDB 2.32072 -5.59000 -0.49000 -3.50000 -7.26000 -0.09000 7.52000 -9.27000 1.09000 4.07000 2.93000 0.00000 0.00000 0.00000 0.11000 0.53000 0.00000 -0.65000 0.00000 -0.07000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_11.PDB 2.47794 -5.20000 -0.51000 -2.03000 -6.30000 0.11000 5.54000 -8.61000 1.90000 3.46000 1.64000 0.00000 0.00000 0.00000 0.05000 0.33000 0.00000 -0.52000 0.00000 0.07000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_12.PDB 3.66695 -5.33000 -0.51000 -1.94000 -5.77000 -0.28000 5.40000 -7.93000 0.81000 3.32000 2.34000 0.00000 0.00000 0.00000 0.07000 0.36000 0.00000 -0.51000 0.00000 -0.33000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_13.PDB 2.14694 -5.82000 -0.52000 -3.67000 -6.11000 0.13000 5.96000 -8.31000 0.88000 3.99000 2.60000 0.00000 0.00000 0.00000 0.09000 0.36000 0.00000 -0.92000 0.00000 0.08000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_14.PDB 3.87323 -5.47000 -0.51000 -1.94000 -6.20000 -0.20000 5.70000 -8.51000 0.84000 3.57000 2.47000 0.00000 0.00000 0.00000 0.09000 0.36000 0.00000 -0.50000 0.00000 -0.26000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_15.PDB 3.50059 -6.30000 -0.88000 -3.74000 -6.95000 0.02000 7.04000 -8.97000 0.91000 4.04000 2.69000 0.00000 0.00000 0.00000 0.05000 0.53000 0.00000 -0.57000 0.00000 0.06000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_16.PDB 2.76230 -5.45000 -0.92000 -2.36000 -6.14000 -0.13000 5.50000 -8.53000 0.89000 3.58000 3.13000 0.00000 0.00000 0.00000 0.13000 0.36000 0.00000 -0.44000 0.00000 -0.15000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_17.PDB 2.21824 -5.36000 -0.52000 -3.70000 -6.41000 0.18000 6.61000 -8.50000 0.88000 4.17000 2.65000 0.00000 0.00000 0.00000 0.09000 0.36000 0.00000 -0.93000 0.00000 0.13000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_18.PDB 3.03906 -5.86000 -0.50000 -1.95000 -5.85000 -0.16000 5.32000 -8.08000 0.78000 3.34000 1.81000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.42000 0.00000 -0.19000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_19.PDB 2.28681 -5.45000 -0.51000 -3.67000 -5.92000 0.18000 5.89000 -7.98000 0.86000 3.78000 2.51000 0.00000 0.00000 0.00000 0.08000 0.35000 0.00000 -0.83000 0.00000 0.15000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_20.PDB 2.60805 -5.26000 -0.52000 -1.96000 -6.21000 -0.13000 5.80000 -8.41000 0.86000 3.39000 2.49000 0.00000 0.00000 0.00000 0.10000 0.37000 0.00000 -0.53000 0.00000 -0.14000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_21.PDB 2.83142 -5.53000 -0.49000 -1.94000 -6.13000 -0.07000 5.55000 -8.35000 0.86000 3.49000 2.00000 0.00000 0.00000 0.00000 0.06000 0.36000 0.00000 -0.39000 0.00000 -0.11000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_22.PDB 2.26061 -4.71000 -0.51000 -1.95000 -5.77000 -0.03000 5.26000 -7.98000 0.82000 3.28000 2.60000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.43000 0.00000 -0.04000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_23.PDB 2.43503 -5.77000 -0.52000 -3.53000 -6.11000 0.19000 6.08000 -8.13000 0.81000 3.92000 2.18000 0.00000 0.00000 0.00000 0.06000 0.36000 0.00000 -0.88000 0.00000 0.16000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_24.PDB 2.13818 -5.13000 -0.52000 -3.69000 -6.45000 0.20000 6.40000 -8.58000 1.33000 3.97000 2.73000 0.00000 0.00000 0.00000 0.08000 0.36000 0.00000 -0.80000 0.00000 0.19000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_25.PDB 3.23109 -5.06000 -0.51000 -1.99000 -5.89000 -0.20000 5.53000 -7.95000 0.88000 3.39000 2.37000 0.00000 0.00000 0.00000 0.10000 0.38000 0.00000 -0.57000 0.00000 -0.22000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_26.PDB 2.37492 -4.99000 -0.43000 -3.08000 -6.66000 0.27000 6.68000 -8.75000 0.90000 4.23000 2.26000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.69000 0.00000 0.23000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_27.PDB 3.46101 -2.90000 -0.52000 -0.45000 -6.33000 -0.16000 6.15000 -8.30000 1.60000 3.17000 2.43000 0.00000 0.00000 0.00000 0.10000 0.37000 0.00000 -0.46000 0.00000 -0.14000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_28.PDB 2.31987 -4.97000 -0.52000 -3.73000 -6.04000 0.22000 6.20000 -7.96000 0.78000 4.00000 2.72000 0.00000 0.00000 0.00000 0.07000 0.30000 0.00000 -0.92000 0.00000 0.20000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_29.PDB 2.43511 -5.27000 -0.51000 -1.94000 -6.26000 -0.00000 5.65000 -8.49000 1.02000 3.55000 2.09000 0.00000 0.00000 0.00000 0.07000 0.37000 0.00000 -0.44000 0.00000 -0.03000 0.00000 2.38000 63.00000 HSE1_1GCQ-7_30.PDB 3.30579 -4.80000 -0.52000 -2.02000 -5.95000 -0.12000 5.62000 -8.03000 0.85000 3.42000 2.78000 0.00000 0.00000 0.00000 0.11000 0.35000 0.00000 -0.84000 0.00000 -0.10000 0.00000 2.38000 63.00000