name total energy Backbone Hbon 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 1.59000 -40.71000 -11.76000 -65.20000 -2.33000 78.71000 -85.14000 10.80000 32.47000 84.93000 0.00000 0.00000 0.00000 2.42000 15.55000 0.00000 -2.54000 0.00000 -0.07000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_2.PDB 1.54000 -41.43000 -14.26000 -65.48000 -2.05000 80.28000 -85.14000 11.03000 33.60000 85.57000 0.00000 0.00000 0.00000 2.17000 15.60000 0.00000 -2.97000 0.00000 0.22000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_3.PDB 0.83000 -40.92000 -13.51000 -66.49000 -2.35000 81.37000 -86.05000 10.65000 33.13000 85.40000 0.00000 0.00000 0.00000 2.18000 15.77000 0.00000 -2.50000 0.00000 -0.07000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_4.PDB 3.00000 -40.23000 -11.30000 -64.69000 -2.15000 78.41000 -84.46000 10.38000 31.74000 85.48000 0.00000 0.00000 0.00000 2.36000 15.55000 0.00000 -2.52000 0.00000 -0.02000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_5.PDB 2.04000 -40.85000 -13.74000 -66.08000 -1.95000 80.60000 -85.92000 11.51000 33.85000 85.36000 0.00000 0.00000 0.00000 1.94000 15.62000 0.00000 -2.96000 0.00000 0.28000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_6.PDB 3.11000 -41.92000 -14.54000 -65.73000 -1.74000 81.46000 -85.40000 10.42000 34.47000 85.79000 0.00000 0.00000 0.00000 2.62000 15.68000 0.00000 -2.68000 0.00000 0.36000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_7.PDB 1.85000 -40.28000 -12.75000 -66.27000 -2.26000 79.55000 -86.34000 12.57000 33.03000 84.72000 0.00000 0.00000 0.00000 2.47000 15.64000 0.00000 -2.54000 0.00000 -0.07000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_8.PDB 2.17000 -42.54000 -12.07000 -66.44000 -2.14000 82.26000 -85.86000 8.84000 33.63000 85.99000 0.00000 0.00000 0.00000 2.87000 15.67000 0.00000 -2.42000 0.00000 0.04000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_9.PDB 4.27000 -41.92000 -14.65000 -66.31000 -1.69000 82.08000 -86.00000 11.68000 34.71000 85.90000 0.00000 0.00000 0.00000 2.63000 15.63000 0.00000 -2.57000 0.00000 0.40000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_10.PDB 0.46000 -40.55000 -13.35000 -66.98000 -2.38000 82.26000 -86.24000 8.82000 33.57000 85.35000 0.00000 0.00000 0.00000 2.52000 15.80000 0.00000 -2.48000 0.00000 -0.07000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_11.PDB 1.63000 -41.12000 -13.78000 -66.34000 -1.99000 80.61000 -86.35000 12.09000 33.78000 84.91000 0.00000 0.00000 0.00000 2.42000 15.69000 0.00000 -2.68000 0.00000 0.07000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_12.PDB 2.06000 -41.00000 -12.05000 -65.66000 -2.49000 79.42000 -85.62000 10.68000 33.00000 85.95000 0.00000 0.00000 0.00000 2.59000 15.64000 0.00000 -2.43000 0.00000 -0.33000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_13.PDB 1.51000 -41.82000 -14.62000 -66.01000 -2.32000 80.73000 -85.84000 10.72000 34.76000 86.10000 0.00000 0.00000 0.00000 2.58000 15.72000 0.00000 -2.83000 0.00000 0.08000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_14.PDB 2.54000 -40.90000 -11.96000 -65.92000 -2.44000 80.04000 -85.91000 10.91000 32.88000 85.94000 0.00000 0.00000 0.00000 2.59000 15.67000 0.00000 -2.43000 0.00000 -0.26000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_15.PDB 1.70000 -41.72000 -14.20000 -67.03000 -2.13000 82.58000 -86.63000 10.82000 33.90000 86.01000 0.00000 0.00000 0.00000 2.40000 15.77000 0.00000 -2.37000 0.00000 0.06000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_16.PDB 1.79000 -41.62000 -13.83000 -66.05000 -2.33000 80.01000 -85.90000 11.32000 33.67000 86.55000 0.00000 0.00000 0.00000 2.69000 15.66000 0.00000 -2.57000 0.00000 -0.15000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_17.PDB 2.55000 -41.71000 -14.53000 -66.43000 -2.25000 81.81000 -86.04000 10.79000 34.84000 86.29000 0.00000 0.00000 0.00000 2.48000 15.65000 0.00000 -2.82000 0.00000 0.13000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_18.PDB 3.18000 -41.46000 -13.88000 -66.37000 -2.28000 81.22000 -86.27000 11.54000 34.25000 86.18000 0.00000 0.00000 0.00000 2.95000 15.65000 0.00000 -2.53000 0.00000 -0.19000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_19.PDB 1.66000 -42.01000 -14.79000 -65.70000 -2.32000 80.70000 -85.33000 10.91000 34.40000 86.12000 0.00000 0.00000 0.00000 2.38000 15.61000 0.00000 -2.85000 0.00000 0.15000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_20.PDB 2.60000 -40.74000 -13.11000 -66.64000 -2.31000 80.86000 -86.50000 11.50000 33.37000 86.18000 0.00000 0.00000 0.00000 2.61000 15.74000 0.00000 -2.48000 0.00000 -0.14000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_21.PDB 3.62000 -41.39000 -12.44000 -66.01000 -2.22000 80.80000 -85.83000 10.95000 33.51000 86.33000 0.00000 0.00000 0.00000 2.53000 15.63000 0.00000 -2.48000 0.00000 -0.11000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_22.PDB 3.05000 -42.45000 -13.52000 -65.48000 -2.17000 80.17000 -85.37000 10.67000 34.24000 86.87000 0.00000 0.00000 0.00000 2.52000 15.54000 0.00000 -2.39000 0.00000 -0.04000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_23.PDB 2.70000 -42.69000 -15.35000 -66.37000 -2.35000 82.07000 -86.02000 10.69000 35.77000 86.58000 0.00000 0.00000 0.00000 2.89000 15.70000 0.00000 -2.68000 0.00000 0.16000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_24.PDB 2.02000 -41.88000 -14.69000 -66.33000 -2.28000 81.32000 -86.12000 11.03000 34.59000 86.38000 0.00000 0.00000 0.00000 2.46000 15.70000 0.00000 -2.66000 0.00000 0.19000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_25.PDB 2.38000 -40.62000 -11.75000 -66.22000 -2.32000 79.92000 -86.15000 10.83000 33.02000 85.97000 0.00000 0.00000 0.00000 2.53000 15.63000 0.00000 -2.61000 0.00000 -0.22000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_26.PDB 4.23000 -42.18000 -14.49000 -66.51000 -2.20000 82.65000 -86.13000 10.49000 35.45000 86.72000 0.00000 0.00000 0.00000 2.93000 15.62000 0.00000 -2.74000 0.00000 0.23000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_27.PDB 4.15000 -40.76000 -11.39000 -66.98000 -2.27000 81.06000 -86.74000 11.97000 33.33000 85.95000 0.00000 0.00000 0.00000 2.54000 15.75000 0.00000 -2.41000 0.00000 -0.14000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_28.PDB 2.85000 -41.95000 -14.81000 -65.74000 -2.22000 80.72000 -85.29000 10.46000 34.62000 86.94000 0.00000 0.00000 0.00000 2.72000 15.64000 0.00000 -2.80000 0.00000 0.20000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_29.PDB 3.95000 -41.51000 -12.57000 -66.13000 -2.13000 80.94000 -85.91000 11.12000 33.53000 86.47000 0.00000 0.00000 0.00000 2.51000 15.63000 0.00000 -2.35000 0.00000 -0.03000 0.00000 0.00000 63.00000 HSE1_1GCQ-7_30.PDB 1.67000 -41.16000 -13.27000 -66.60000 -2.13000 80.58000 -86.43000 11.02000 33.93000 86.18000 0.00000 0.00000 0.00000 2.43000 15.73000 0.00000 -2.77000 0.00000 -0.10000 0.00000 0.00000 63.00000