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-26_1.PDB -8.79000 -45.38000 -14.05000 -67.92000 -4.89000 84.01000 -86.90000 7.24000 36.01000 85.70000 0.00000 0.00000 0.00000 2.40000 17.09000 0.00000 -3.14000 0.00000 -1.87000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_2.PDB -5.91000 -44.35000 -12.98000 -67.58000 -4.81000 83.57000 -86.65000 7.54000 35.45000 86.64000 0.00000 0.00000 0.00000 2.46000 16.95000 0.00000 -3.28000 0.00000 -1.93000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_3.PDB -8.01000 -44.21000 -14.43000 -67.77000 -5.17000 84.57000 -86.65000 7.39000 36.06000 85.59000 0.00000 0.00000 0.00000 2.26000 16.89000 0.00000 -3.63000 0.00000 -2.01000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_4.PDB -6.30000 -44.30000 -12.87000 -67.60000 -3.72000 82.51000 -86.88000 7.04000 36.00000 85.36000 0.00000 0.00000 0.00000 2.32000 17.01000 0.00000 -2.56000 0.00000 -1.60000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_5.PDB -4.68000 -42.95000 -12.55000 -68.35000 -5.36000 83.81000 -87.17000 7.55000 36.28000 86.63000 0.00000 0.00000 0.00000 2.61000 17.07000 0.00000 -2.98000 0.00000 -2.18000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_6.PDB -6.83000 -45.02000 -13.66000 -68.10000 -4.44000 84.29000 -87.07000 7.72000 36.01000 85.69000 0.00000 0.00000 0.00000 2.33000 17.05000 0.00000 -2.89000 0.00000 -1.68000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_7.PDB -6.58000 -44.86000 -13.52000 -67.73000 -5.08000 84.11000 -86.78000 7.36000 35.88000 86.65000 0.00000 0.00000 0.00000 2.27000 17.02000 0.00000 -2.93000 0.00000 -1.93000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_8.PDB -4.59000 -44.23000 -12.85000 -67.70000 -3.99000 82.98000 -87.19000 8.05000 35.93000 86.11000 0.00000 0.00000 0.00000 2.67000 16.85000 0.00000 -2.68000 0.00000 -1.70000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_9.PDB -7.40000 -43.47000 -15.21000 -66.33000 -3.86000 81.66000 -85.52000 7.13000 35.17000 84.94000 0.00000 0.00000 0.00000 2.19000 16.69000 0.00000 -2.83000 0.00000 -1.28000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_10.PDB -6.63000 -44.46000 -13.04000 -67.58000 -4.30000 83.03000 -86.60000 7.52000 35.79000 85.43000 0.00000 0.00000 0.00000 2.37000 16.86000 0.00000 -3.06000 0.00000 -1.73000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_11.PDB -5.58000 -43.69000 -12.27000 -67.10000 -4.00000 81.99000 -86.36000 7.08000 35.23000 85.14000 0.00000 0.00000 0.00000 2.23000 16.90000 0.00000 -2.32000 0.00000 -1.51000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_12.PDB -5.63000 -43.81000 -12.87000 -67.37000 -4.89000 82.94000 -86.47000 7.01000 35.38000 86.29000 0.00000 0.00000 0.00000 3.08000 16.83000 0.00000 -3.10000 0.00000 -1.84000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_13.PDB -6.07000 -44.31000 -13.76000 -67.41000 -4.36000 82.95000 -86.56000 7.37000 36.44000 86.16000 0.00000 0.00000 0.00000 2.44000 16.90000 0.00000 -3.14000 0.00000 -1.89000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_14.PDB -4.12000 -44.19000 -13.20000 -67.73000 -5.10000 85.29000 -86.32000 7.72000 35.64000 86.58000 0.00000 0.00000 0.00000 2.38000 16.89000 0.00000 -3.16000 0.00000 -2.02000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_15.PDB -5.53000 -43.31000 -11.92000 -66.72000 -3.56000 81.53000 -86.14000 7.03000 33.69000 84.90000 0.00000 0.00000 0.00000 2.18000 16.81000 0.00000 -2.17000 0.00000 -1.04000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_16.PDB -4.18000 -43.72000 -12.75000 -67.38000 -4.12000 83.38000 -86.43000 8.19000 35.00000 85.14000 0.00000 0.00000 0.00000 2.52000 16.89000 0.00000 -2.39000 0.00000 -1.62000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_17.PDB -3.40000 -43.66000 -12.57000 -67.21000 -4.06000 83.29000 -86.23000 7.56000 35.31000 86.24000 0.00000 0.00000 0.00000 2.22000 16.87000 0.00000 -2.52000 0.00000 -1.76000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_18.PDB -4.70000 -42.49000 -11.58000 -68.18000 -5.11000 84.02000 -87.07000 7.37000 35.54000 85.22000 0.00000 0.00000 0.00000 2.31000 16.99000 0.00000 -2.85000 0.00000 -1.86000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_19.PDB -4.59000 -44.11000 -12.76000 -66.89000 -4.28000 82.56000 -86.10000 7.55000 35.10000 86.15000 0.00000 0.00000 0.00000 2.17000 16.80000 0.00000 -2.45000 0.00000 -1.53000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_20.PDB -5.99000 -45.04000 -15.42000 -67.65000 -5.34000 84.67000 -86.06000 8.17000 36.87000 86.58000 0.00000 0.00000 0.00000 2.81000 16.99000 0.00000 -3.24000 0.00000 -2.34000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_21.PDB -7.66000 -43.52000 -13.87000 -68.63000 -5.18000 85.20000 -87.64000 7.19000 36.28000 85.55000 0.00000 0.00000 0.00000 2.61000 17.16000 0.00000 -3.70000 0.00000 -1.94000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_22.PDB -5.48000 -43.92000 -12.49000 -68.22000 -4.47000 83.69000 -87.58000 7.86000 35.59000 86.21000 0.00000 0.00000 0.00000 2.96000 16.95000 0.00000 -3.41000 0.00000 -1.69000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_23.PDB -2.48000 -44.35000 -14.11000 -68.46000 -5.48000 86.26000 -86.62000 9.23000 37.11000 86.84000 0.00000 0.00000 0.00000 2.64000 17.01000 0.00000 -3.28000 0.00000 -2.26000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_24.PDB -6.08000 -44.57000 -13.55000 -67.27000 -4.95000 84.48000 -86.06000 7.35000 35.62000 85.16000 0.00000 0.00000 0.00000 2.25000 16.88000 0.00000 -2.81000 0.00000 -1.72000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_25.PDB -2.97000 -45.50000 -15.04000 -68.31000 -5.63000 86.12000 -86.81000 9.77000 37.11000 86.80000 0.00000 0.00000 0.00000 4.09000 16.91000 0.00000 -2.90000 0.00000 -2.66000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_26.PDB -5.24000 -43.76000 -12.82000 -68.14000 -5.21000 83.99000 -87.22000 7.03000 36.17000 86.66000 0.00000 0.00000 0.00000 2.67000 17.01000 0.00000 -2.60000 0.00000 -2.01000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_27.PDB -4.54000 -44.64000 -15.65000 -68.25000 -5.55000 86.00000 -86.74000 8.24000 37.89000 86.62000 0.00000 0.00000 0.00000 2.56000 16.94000 0.00000 -3.16000 0.00000 -1.85000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_28.PDB -6.60000 -43.56000 -13.38000 -68.02000 -5.30000 84.85000 -86.98000 7.48000 35.72000 85.45000 0.00000 0.00000 0.00000 2.27000 16.91000 0.00000 -3.11000 0.00000 -2.03000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_29.PDB -6.55000 -43.80000 -12.44000 -67.62000 -4.80000 83.19000 -86.63000 7.34000 35.26000 85.27000 0.00000 0.00000 0.00000 2.29000 16.87000 0.00000 -2.85000 0.00000 -1.77000 0.00000 0.00000 64.00000 HSE1_1GCQ-26_30.PDB -2.15000 -44.17000 -12.78000 -68.46000 -4.95000 85.06000 -87.11000 9.08000 36.68000 86.44000 0.00000 0.00000 0.00000 2.97000 17.01000 0.00000 -2.83000 0.00000 -2.09000 0.00000 0.00000 64.00000