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-12_1.PDB -1.12000 -42.42000 -12.64000 -66.96000 -4.39000 82.69000 -86.63000 9.75000 34.06000 86.17000 0.00000 0.00000 0.00000 3.33000 18.25000 0.00000 -2.42000 0.00000 -1.67000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_2.PDB -0.87000 -41.07000 -11.76000 -66.31000 -4.61000 81.90000 -86.06000 8.82000 33.80000 86.04000 0.00000 0.00000 0.00000 3.02000 18.03000 0.00000 -2.84000 0.00000 -1.79000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_3.PDB -0.83000 -41.58000 -11.82000 -67.42000 -4.38000 83.02000 -87.35000 8.89000 34.38000 86.13000 0.00000 0.00000 0.00000 3.45000 18.10000 0.00000 -2.41000 0.00000 -1.74000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_4.PDB -0.98000 -41.93000 -12.12000 -66.64000 -4.47000 82.12000 -86.42000 9.67000 33.65000 86.10000 0.00000 0.00000 0.00000 3.15000 18.18000 0.00000 -2.34000 0.00000 -1.74000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_5.PDB -1.38000 -42.44000 -14.32000 -67.22000 -5.40000 84.03000 -86.69000 9.77000 35.37000 86.17000 0.00000 0.00000 0.00000 3.18000 18.04000 0.00000 -2.24000 0.00000 -1.60000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_6.PDB -1.23000 -41.17000 -11.40000 -66.76000 -4.48000 81.80000 -86.71000 8.63000 33.74000 86.20000 0.00000 0.00000 0.00000 2.96000 18.11000 0.00000 -2.46000 0.00000 -1.58000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_7.PDB -1.13000 -42.33000 -12.51000 -66.10000 -4.20000 81.71000 -85.59000 9.40000 33.79000 85.38000 0.00000 0.00000 0.00000 2.97000 18.15000 0.00000 -2.23000 0.00000 -1.44000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_8.PDB -0.41000 -41.22000 -11.37000 -66.03000 -3.91000 81.12000 -85.79000 9.15000 33.39000 85.58000 0.00000 0.00000 0.00000 2.71000 18.11000 0.00000 -2.47000 0.00000 -1.59000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_9.PDB -1.11000 -42.41000 -12.62000 -66.87000 -4.08000 82.58000 -86.63000 9.63000 34.30000 85.84000 0.00000 0.00000 0.00000 3.03000 18.22000 0.00000 -2.19000 0.00000 -1.67000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_10.PDB -1.10000 -42.82000 -13.03000 -67.00000 -5.09000 83.28000 -86.40000 9.94000 34.72000 86.32000 0.00000 0.00000 0.00000 2.97000 18.14000 0.00000 -2.36000 0.00000 -1.64000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_11.PDB -0.43000 -41.60000 -11.80000 -66.08000 -4.21000 81.79000 -85.56000 8.38000 33.91000 85.35000 0.00000 0.00000 0.00000 3.28000 18.12000 0.00000 -2.35000 0.00000 -1.53000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_12.PDB -0.90000 -42.28000 -12.52000 -66.38000 -4.37000 82.42000 -85.79000 8.59000 34.34000 85.71000 0.00000 0.00000 0.00000 3.06000 18.26000 0.00000 -2.32000 0.00000 -1.37000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_13.PDB -1.76000 -42.66000 -14.61000 -66.73000 -4.51000 82.95000 -86.16000 9.47000 35.45000 85.78000 0.00000 0.00000 0.00000 2.91000 18.30000 0.00000 -2.25000 0.00000 -1.40000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_14.PDB -0.95000 -42.53000 -12.70000 -67.12000 -4.64000 83.15000 -86.82000 9.31000 34.74000 86.29000 0.00000 0.00000 0.00000 3.19000 18.02000 0.00000 -2.29000 0.00000 -1.52000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_15.PDB -1.31000 -42.75000 -12.96000 -67.06000 -4.74000 82.86000 -86.79000 9.51000 34.65000 86.45000 0.00000 0.00000 0.00000 3.13000 18.23000 0.00000 -2.23000 0.00000 -1.39000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_16.PDB -1.01000 -42.51000 -12.68000 -66.33000 -4.94000 82.43000 -85.69000 9.37000 34.55000 86.08000 0.00000 0.00000 0.00000 2.61000 18.16000 0.00000 -2.16000 0.00000 -1.73000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_17.PDB -0.82000 -42.51000 -12.67000 -66.67000 -3.98000 82.39000 -86.31000 9.14000 34.52000 86.21000 0.00000 0.00000 0.00000 2.59000 18.21000 0.00000 -2.19000 0.00000 -1.35000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_18.PDB -0.44000 -42.00000 -12.20000 -66.09000 -4.07000 81.36000 -85.73000 8.66000 34.24000 86.16000 0.00000 0.00000 0.00000 2.78000 18.15000 0.00000 -2.29000 0.00000 -1.28000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_19.PDB -2.07000 -41.95000 -12.17000 -66.43000 -4.57000 81.85000 -86.06000 9.62000 33.18000 85.27000 0.00000 0.00000 0.00000 2.95000 17.95000 0.00000 -2.39000 0.00000 -1.38000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_20.PDB -2.30000 -41.22000 -11.45000 -66.59000 -3.98000 81.39000 -86.45000 8.82000 33.36000 84.42000 0.00000 0.00000 0.00000 3.23000 17.97000 0.00000 -2.60000 0.00000 -1.23000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_21.PDB -1.98000 -41.03000 -13.50000 -66.40000 -3.49000 81.24000 -86.38000 8.64000 34.32000 85.41000 0.00000 0.00000 0.00000 2.88000 17.94000 0.00000 -2.54000 0.00000 -1.12000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_22.PDB -1.76000 -42.00000 -12.21000 -66.41000 -3.85000 81.58000 -86.25000 9.73000 33.05000 85.05000 0.00000 0.00000 0.00000 2.87000 17.96000 0.00000 -2.25000 0.00000 -1.05000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_23.PDB -2.45000 -41.20000 -13.15000 -66.91000 -4.57000 82.29000 -86.76000 8.90000 34.39000 85.63000 0.00000 0.00000 0.00000 2.81000 17.97000 0.00000 -2.58000 0.00000 -1.29000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_24.PDB -0.83000 -41.96000 -12.19000 -66.34000 -4.03000 81.52000 -86.10000 8.67000 33.95000 86.37000 0.00000 0.00000 0.00000 3.03000 18.08000 0.00000 -2.35000 0.00000 -1.40000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_25.PDB -2.40000 -42.03000 -12.22000 -66.54000 -4.78000 81.80000 -86.32000 9.90000 33.37000 85.09000 0.00000 0.00000 0.00000 2.96000 18.02000 0.00000 -2.35000 0.00000 -1.28000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_26.PDB -1.04000 -42.03000 -12.33000 -66.51000 -4.38000 82.19000 -86.08000 9.06000 34.05000 86.26000 0.00000 0.00000 0.00000 2.95000 18.00000 0.00000 -2.72000 0.00000 -1.50000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_27.PDB -1.56000 -42.92000 -13.12000 -66.99000 -4.54000 82.75000 -86.85000 10.09000 34.34000 86.23000 0.00000 0.00000 0.00000 3.19000 18.01000 0.00000 -2.25000 0.00000 -1.48000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_28.PDB -1.67000 -41.98000 -12.19000 -66.06000 -4.41000 81.85000 -85.48000 9.46000 33.19000 84.77000 0.00000 0.00000 0.00000 2.67000 18.18000 0.00000 -2.19000 0.00000 -1.30000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_29.PDB -1.10000 -41.97000 -12.17000 -66.58000 -4.04000 82.00000 -86.37000 8.52000 34.12000 86.22000 0.00000 0.00000 0.00000 3.09000 18.06000 0.00000 -2.49000 0.00000 -1.42000 0.00000 0.00000 63.00000 HSE1_1GCQ-12_30.PDB -1.06000 -42.07000 -12.25000 -66.48000 -4.20000 81.61000 -86.37000 8.86000 34.05000 86.33000 0.00000 0.00000 0.00000 3.23000 18.11000 0.00000 -2.43000 0.00000 -1.36000 0.00000 0.00000 63.00000