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-11_1.PDB -1.19000 -41.87000 -11.92000 -66.50000 -3.18000 82.69000 -86.27000 8.48000 32.59000 85.16000 0.00000 0.00000 0.00000 2.47000 17.32000 0.00000 -2.10000 0.00000 -0.74000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_2.PDB -1.70000 -42.17000 -12.35000 -66.57000 -2.82000 82.80000 -86.33000 8.45000 32.65000 85.01000 0.00000 0.00000 0.00000 2.53000 17.34000 0.00000 -2.29000 0.00000 -0.62000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_3.PDB -1.15000 -41.88000 -11.37000 -65.76000 -2.31000 80.63000 -85.56000 8.46000 31.89000 84.48000 0.00000 0.00000 0.00000 2.57000 17.19000 0.00000 -1.91000 0.00000 -0.40000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_4.PDB -1.94000 -42.22000 -12.46000 -66.64000 -2.88000 82.90000 -86.37000 8.40000 32.70000 85.05000 0.00000 0.00000 0.00000 2.52000 17.38000 0.00000 -2.30000 0.00000 -0.64000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_5.PDB -2.23000 -41.60000 -12.05000 -66.77000 -3.51000 83.08000 -86.57000 9.00000 32.67000 84.62000 0.00000 0.00000 0.00000 2.58000 17.54000 0.00000 -2.76000 0.00000 -0.91000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_6.PDB -1.65000 -41.60000 -13.47000 -66.93000 -3.26000 83.21000 -86.56000 8.47000 33.64000 85.98000 0.00000 0.00000 0.00000 2.61000 17.48000 0.00000 -2.85000 0.00000 -0.90000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_7.PDB -1.48000 -43.14000 -15.07000 -67.25000 -2.83000 84.15000 -86.78000 8.29000 34.81000 86.56000 0.00000 0.00000 0.00000 2.51000 17.57000 0.00000 -2.44000 0.00000 -0.31000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_8.PDB -1.20000 -42.36000 -14.27000 -66.90000 -2.70000 83.42000 -86.43000 8.27000 33.57000 86.58000 0.00000 0.00000 0.00000 2.78000 17.57000 0.00000 -2.47000 0.00000 -0.69000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_9.PDB -1.12000 -41.60000 -13.46000 -66.76000 -3.23000 83.45000 -86.46000 8.50000 33.55000 85.69000 0.00000 0.00000 0.00000 2.64000 17.41000 0.00000 -2.79000 0.00000 -0.65000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_10.PDB -0.04000 -41.57000 -13.45000 -66.09000 -2.48000 81.63000 -85.26000 8.34000 33.40000 85.76000 0.00000 0.00000 0.00000 2.68000 17.47000 0.00000 -2.30000 0.00000 -0.70000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_11.PDB -0.84000 -43.32000 -15.24000 -67.32000 -2.76000 84.44000 -86.82000 9.06000 34.78000 86.46000 0.00000 0.00000 0.00000 2.65000 17.65000 0.00000 -2.45000 0.00000 -0.31000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_12.PDB 0.18000 -40.73000 -12.62000 -65.70000 -2.26000 80.85000 -85.25000 8.44000 32.20000 85.65000 0.00000 0.00000 0.00000 2.43000 17.20000 0.00000 -2.35000 0.00000 -0.49000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_13.PDB -0.75000 -42.39000 -14.07000 -66.56000 -2.95000 83.36000 -85.89000 8.44000 33.63000 86.42000 0.00000 0.00000 0.00000 2.69000 17.57000 0.00000 -2.54000 0.00000 -0.88000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_14.PDB -0.86000 -40.70000 -12.64000 -66.86000 -3.55000 83.19000 -86.62000 8.67000 32.88000 85.98000 0.00000 0.00000 0.00000 2.48000 17.37000 0.00000 -2.77000 0.00000 -0.91000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_15.PDB -0.64000 -41.61000 -13.59000 -66.58000 -2.73000 82.90000 -86.17000 8.51000 32.65000 86.21000 0.00000 0.00000 0.00000 2.71000 17.42000 0.00000 -2.42000 0.00000 -0.53000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_16.PDB 0.33000 -40.70000 -12.61000 -67.40000 -3.53000 84.08000 -87.04000 8.97000 33.08000 85.90000 0.00000 0.00000 0.00000 2.60000 17.51000 0.00000 -2.14000 0.00000 -0.88000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_17.PDB -0.04000 -41.61000 -11.96000 -66.05000 -3.36000 83.08000 -85.33000 8.67000 32.26000 85.04000 0.00000 0.00000 0.00000 2.64000 17.42000 0.00000 -2.66000 0.00000 -0.77000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_18.PDB -0.79000 -41.64000 -13.40000 -67.05000 -3.31000 83.46000 -86.73000 9.08000 33.73000 86.06000 0.00000 0.00000 0.00000 2.78000 17.60000 0.00000 -2.69000 0.00000 -1.08000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_19.PDB -0.82000 -43.13000 -15.07000 -67.35000 -2.87000 84.35000 -86.94000 8.71000 34.90000 86.77000 0.00000 0.00000 0.00000 2.76000 17.70000 0.00000 -2.50000 0.00000 -0.45000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_20.PDB -1.28000 -40.73000 -13.25000 -66.88000 -3.79000 83.68000 -86.59000 8.45000 33.44000 85.61000 0.00000 0.00000 0.00000 2.64000 17.42000 0.00000 -2.93000 0.00000 -0.91000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_21.PDB 0.22000 -42.45000 -12.36000 -66.01000 -2.75000 82.97000 -85.37000 8.54000 32.24000 85.61000 0.00000 0.00000 0.00000 2.65000 17.44000 0.00000 -2.28000 0.00000 -0.57000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_22.PDB -0.47000 -42.25000 -14.10000 -67.08000 -2.92000 84.07000 -86.72000 8.48000 33.73000 86.66000 0.00000 0.00000 0.00000 2.62000 17.54000 0.00000 -2.22000 0.00000 -0.74000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_23.PDB -0.79000 -41.44000 -13.31000 -66.70000 -2.80000 82.97000 -86.40000 8.33000 32.56000 86.36000 0.00000 0.00000 0.00000 2.63000 17.47000 0.00000 -2.41000 0.00000 -0.57000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_24.PDB -1.50000 -42.09000 -12.30000 -66.59000 -3.21000 82.99000 -86.21000 8.68000 32.74000 85.10000 0.00000 0.00000 0.00000 2.34000 17.30000 0.00000 -2.36000 0.00000 -0.61000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_25.PDB -1.99000 -41.98000 -12.21000 -66.57000 -3.26000 82.48000 -86.20000 8.45000 32.72000 85.39000 0.00000 0.00000 0.00000 2.45000 17.35000 0.00000 -2.58000 0.00000 -0.67000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_26.PDB -1.69000 -41.39000 -14.22000 -67.29000 -4.08000 84.60000 -86.25000 8.46000 33.91000 84.95000 0.00000 0.00000 0.00000 2.63000 17.39000 0.00000 -2.12000 0.00000 -0.88000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_27.PDB -0.94000 -40.78000 -12.76000 -66.70000 -3.55000 83.13000 -86.43000 8.76000 32.65000 85.80000 0.00000 0.00000 0.00000 2.60000 17.48000 0.00000 -2.75000 0.00000 -0.93000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_28.PDB -1.13000 -41.62000 -12.08000 -66.76000 -3.56000 83.34000 -86.52000 8.74000 32.70000 85.46000 0.00000 0.00000 0.00000 2.70000 17.57000 0.00000 -2.66000 0.00000 -0.88000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_29.PDB -1.86000 -41.46000 -11.53000 -66.78000 -3.73000 82.98000 -86.56000 8.59000 32.83000 84.62000 0.00000 0.00000 0.00000 2.52000 17.37000 0.00000 -2.50000 0.00000 -0.84000 0.00000 0.00000 62.00000 HSE1_1GCQ-11_30.PDB -0.98000 -42.12000 -12.27000 -66.15000 -2.84000 82.60000 -85.78000 8.57000 32.34000 84.99000 0.00000 0.00000 0.00000 2.33000 17.31000 0.00000 -2.07000 0.00000 -0.59000 0.00000 0.00000 62.00000