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-23_1.PDB -1.69000 -41.33000 -12.44000 -64.49000 -4.14000 80.22000 -83.76000 9.27000 32.14000 83.36000 0.00000 0.00000 0.00000 2.77000 17.35000 0.00000 -2.53000 0.00000 -0.77000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_2.PDB -2.09000 -41.60000 -14.01000 -65.12000 -3.31000 79.76000 -84.66000 9.25000 33.48000 84.55000 0.00000 0.00000 0.00000 2.86000 17.34000 0.00000 -2.40000 0.00000 -0.88000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_3.PDB -1.97000 -41.75000 -14.20000 -65.40000 -3.34000 81.18000 -84.50000 9.00000 33.48000 84.17000 0.00000 0.00000 0.00000 2.85000 17.29000 0.00000 -2.67000 0.00000 -0.80000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_4.PDB -0.45000 -41.06000 -12.25000 -65.15000 -3.64000 79.95000 -84.63000 9.41000 32.17000 85.42000 0.00000 0.00000 0.00000 2.74000 17.36000 0.00000 -2.37000 0.00000 -1.02000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_5.PDB -2.42000 -41.87000 -14.18000 -65.72000 -3.30000 80.77000 -84.99000 9.45000 33.73000 84.77000 0.00000 0.00000 0.00000 2.68000 17.21000 0.00000 -2.74000 0.00000 -1.01000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_6.PDB -2.07000 -41.99000 -14.43000 -66.26000 -3.69000 81.62000 -85.54000 9.08000 33.98000 85.79000 0.00000 0.00000 0.00000 2.91000 17.50000 0.00000 -2.66000 0.00000 -0.88000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_7.PDB -2.52000 -41.18000 -12.33000 -65.71000 -4.39000 80.90000 -84.81000 8.96000 33.00000 83.99000 0.00000 0.00000 0.00000 2.75000 17.25000 0.00000 -2.72000 0.00000 -0.98000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_8.PDB -2.91000 -41.17000 -15.09000 -65.66000 -4.47000 81.88000 -84.21000 8.75000 34.02000 84.63000 0.00000 0.00000 0.00000 2.90000 17.28000 0.00000 -2.94000 0.00000 -1.56000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_9.PDB -4.19000 -41.15000 -15.49000 -66.26000 -4.56000 82.96000 -85.37000 8.84000 34.80000 83.62000 0.00000 0.00000 0.00000 2.73000 17.46000 0.00000 -3.00000 0.00000 -1.29000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_10.PDB -2.75000 -40.79000 -12.96000 -65.80000 -3.77000 81.12000 -85.13000 8.17000 32.73000 84.53000 0.00000 0.00000 0.00000 2.65000 17.43000 0.00000 -2.79000 0.00000 -0.71000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_11.PDB -3.67000 -41.21000 -15.74000 -65.14000 -4.00000 81.48000 -84.20000 9.37000 34.09000 83.19000 0.00000 0.00000 0.00000 2.55000 17.13000 0.00000 -2.77000 0.00000 -1.27000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_12.PDB -4.76000 -41.22000 -15.53000 -66.33000 -5.55000 82.41000 -84.90000 9.13000 34.67000 84.40000 0.00000 0.00000 0.00000 2.78000 17.23000 0.00000 -2.58000 0.00000 -2.04000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_13.PDB -3.26000 -41.24000 -15.51000 -66.21000 -5.61000 82.64000 -84.69000 9.92000 34.45000 85.17000 0.00000 0.00000 0.00000 2.81000 17.24000 0.00000 -2.78000 0.00000 -2.20000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_14.PDB -1.05000 -41.83000 -13.04000 -64.50000 -3.37000 79.84000 -83.61000 9.33000 32.71000 84.16000 0.00000 0.00000 0.00000 2.74000 17.15000 0.00000 -2.44000 0.00000 -1.04000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_15.PDB -3.41000 -41.19000 -15.67000 -65.88000 -4.31000 82.21000 -85.12000 9.01000 34.52000 84.34000 0.00000 0.00000 0.00000 2.74000 17.18000 0.00000 -2.74000 0.00000 -1.34000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_16.PDB -4.77000 -41.80000 -16.22000 -66.88000 -5.56000 83.47000 -85.31000 9.21000 35.68000 84.76000 0.00000 0.00000 0.00000 2.80000 17.40000 0.00000 -2.74000 0.00000 -2.19000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_17.PDB -1.59000 -40.39000 -12.91000 -66.00000 -4.32000 80.67000 -85.38000 8.94000 33.25000 85.55000 0.00000 0.00000 0.00000 2.90000 17.30000 0.00000 -2.97000 0.00000 -0.93000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_18.PDB -2.65000 -41.32000 -14.65000 -65.25000 -4.65000 82.24000 -84.43000 9.39000 33.46000 83.96000 0.00000 0.00000 0.00000 2.66000 17.39000 0.00000 -2.77000 0.00000 -1.30000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_19.PDB -0.66000 -41.07000 -13.28000 -65.71000 -4.31000 80.56000 -84.67000 8.80000 34.24000 85.45000 0.00000 0.00000 0.00000 3.14000 17.24000 0.00000 -2.55000 0.00000 -1.25000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_20.PDB -1.26000 -41.26000 -14.67000 -65.34000 -4.83000 82.14000 -84.60000 10.66000 33.60000 84.69000 0.00000 0.00000 0.00000 2.74000 17.26000 0.00000 -2.81000 0.00000 -1.59000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_21.PDB -2.11000 -41.11000 -13.17000 -65.25000 -3.51000 80.40000 -84.55000 9.04000 32.52000 84.38000 0.00000 0.00000 0.00000 2.67000 17.31000 0.00000 -2.80000 0.00000 -0.72000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_22.PDB -1.24000 -41.06000 -13.20000 -64.99000 -3.44000 80.31000 -84.21000 8.99000 32.18000 84.94000 0.00000 0.00000 0.00000 2.78000 17.19000 0.00000 -2.77000 0.00000 -0.76000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_23.PDB -3.12000 -41.70000 -14.02000 -66.04000 -3.43000 80.83000 -85.54000 9.10000 33.91000 84.65000 0.00000 0.00000 0.00000 2.60000 17.38000 0.00000 -2.60000 0.00000 -0.87000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_24.PDB -2.34000 -42.09000 -14.22000 -66.09000 -3.28000 81.21000 -85.48000 9.14000 33.67000 85.72000 0.00000 0.00000 0.00000 2.82000 17.43000 0.00000 -2.83000 0.00000 -0.94000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_25.PDB -0.77000 -42.07000 -12.88000 -65.27000 -4.09000 81.69000 -84.60000 9.12000 33.06000 85.06000 0.00000 0.00000 0.00000 3.16000 17.45000 0.00000 -2.80000 0.00000 -1.17000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_26.PDB -4.28000 -41.78000 -14.57000 -65.98000 -4.86000 82.57000 -84.33000 8.71000 33.53000 84.11000 0.00000 0.00000 0.00000 2.96000 17.46000 0.00000 -3.12000 0.00000 -1.52000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_27.PDB -2.06000 -42.18000 -13.23000 -65.16000 -3.69000 79.89000 -84.76000 9.91000 33.39000 84.12000 0.00000 0.00000 0.00000 2.89000 17.35000 0.00000 -2.40000 0.00000 -0.84000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_28.PDB 0.47000 -41.33000 -13.57000 -65.24000 -3.31000 80.69000 -84.58000 10.38000 32.80000 85.53000 0.00000 0.00000 0.00000 2.78000 17.24000 0.00000 -2.72000 0.00000 -0.97000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_29.PDB -2.15000 -41.87000 -14.65000 -65.32000 -4.48000 81.82000 -83.75000 9.49000 33.19000 84.44000 0.00000 0.00000 0.00000 3.06000 17.31000 0.00000 -2.50000 0.00000 -1.58000 0.00000 0.00000 62.00000 HSE1_1GCQ-23_30.PDB -2.57000 -41.63000 -13.93000 -65.59000 -3.76000 81.18000 -84.74000 8.08000 33.63000 84.95000 0.00000 0.00000 0.00000 2.93000 17.46000 0.00000 -2.82000 0.00000 -0.87000 0.00000 0.00000 62.00000