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-5_1.PDB 8.61000 -42.46000 -14.19000 -76.69000 -6.50000 97.33000 -97.18000 18.24000 39.01000 89.49000 0.00000 0.00000 0.00000 6.33000 19.31000 0.00000 -2.51000 0.00000 -2.28000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_2.PDB 10.88000 -42.86000 -13.46000 -73.46000 -5.44000 92.31000 -93.92000 18.53000 38.31000 89.96000 0.00000 0.00000 0.00000 5.46000 19.07000 0.00000 -2.81000 0.00000 -1.75000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_3.PDB 9.32000 -43.31000 -13.92000 -76.76000 -5.70000 95.88000 -97.30000 19.07000 38.94000 88.86000 0.00000 0.00000 0.00000 7.98000 19.37000 0.00000 -2.55000 0.00000 -1.87000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_4.PDB 10.55000 -43.65000 -13.89000 -77.33000 -6.19000 97.05000 -97.79000 19.92000 39.37000 89.28000 0.00000 0.00000 0.00000 8.56000 19.38000 0.00000 -2.64000 0.00000 -2.14000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_5.PDB 6.62000 -43.57000 -15.09000 -74.05000 -5.81000 93.76000 -94.79000 17.40000 37.97000 89.13000 0.00000 0.00000 0.00000 5.83000 19.04000 0.00000 -2.63000 0.00000 -1.52000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_6.PDB 4.78000 -44.56000 -19.45000 -76.41000 -6.00000 97.24000 -96.78000 19.41000 40.22000 89.83000 0.00000 0.00000 0.00000 5.62000 19.36000 0.00000 -2.52000 0.00000 -1.81000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_7.PDB 7.55000 -44.12000 -12.48000 -74.44000 -5.75000 93.17000 -94.96000 17.31000 37.81000 89.65000 0.00000 0.00000 0.00000 5.97000 19.21000 0.00000 -2.62000 0.00000 -1.98000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_8.PDB 9.20000 -42.78000 -13.01000 -73.80000 -6.01000 92.49000 -94.37000 18.64000 38.21000 89.42000 0.00000 0.00000 0.00000 5.16000 19.20000 0.00000 -2.74000 0.00000 -2.02000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_9.PDB 10.23000 -43.53000 -14.46000 -75.79000 -6.32000 95.93000 -96.25000 19.84000 39.74000 89.23000 0.00000 0.00000 0.00000 7.28000 18.54000 0.00000 -2.97000 0.00000 -2.47000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_10.PDB 6.73000 -43.70000 -13.79000 -73.90000 -5.84000 92.33000 -94.74000 18.03000 39.09000 88.80000 0.00000 0.00000 0.00000 5.31000 19.08000 0.00000 -2.91000 0.00000 -1.95000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_11.PDB 9.67000 -43.84000 -18.13000 -76.05000 -5.15000 96.86000 -96.39000 21.14000 39.53000 89.52000 0.00000 0.00000 0.00000 6.80000 19.41000 0.00000 -2.73000 0.00000 -1.89000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_12.PDB 8.76000 -42.25000 -13.56000 -76.26000 -5.32000 93.98000 -97.68000 21.28000 38.11000 87.90000 0.00000 0.00000 0.00000 6.92000 19.23000 0.00000 -2.80000 0.00000 -1.54000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_13.PDB 11.20000 -42.30000 -13.61000 -75.20000 -5.07000 93.69000 -95.95000 18.60000 37.83000 89.40000 0.00000 0.00000 0.00000 8.14000 19.46000 0.00000 -2.81000 0.00000 -1.52000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_14.PDB 6.85000 -46.23000 -14.86000 -75.68000 -6.82000 97.28000 -95.50000 18.63000 39.71000 90.44000 0.00000 0.00000 0.00000 5.41000 18.55000 0.00000 -2.77000 0.00000 -2.76000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_15.PDB 7.18000 -42.50000 -16.84000 -76.31000 -5.91000 95.71000 -96.90000 20.13000 40.18000 88.32000 0.00000 0.00000 0.00000 5.93000 19.32000 0.00000 -2.86000 0.00000 -1.78000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_16.PDB 9.04000 -43.79000 -14.97000 -77.11000 -6.15000 96.69000 -97.78000 21.21000 39.43000 90.15000 0.00000 0.00000 0.00000 6.52000 19.52000 0.00000 -2.95000 0.00000 -2.23000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_17.PDB 9.05000 -43.16000 -16.06000 -76.37000 -4.65000 94.55000 -97.86000 23.46000 38.60000 89.53000 0.00000 0.00000 0.00000 5.11000 19.32000 0.00000 -2.79000 0.00000 -1.29000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_18.PDB 10.79000 -42.58000 -13.94000 -75.07000 -6.68000 95.04000 -95.21000 20.29000 39.15000 89.39000 0.00000 0.00000 0.00000 6.31000 18.45000 0.00000 -3.25000 0.00000 -2.65000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_19.PDB 9.40000 -43.19000 -14.44000 -76.97000 -6.70000 97.56000 -96.90000 20.60000 39.36000 89.30000 0.00000 0.00000 0.00000 5.79000 19.33000 0.00000 -2.45000 0.00000 -2.57000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_20.PDB 9.22000 -42.02000 -10.75000 -74.14000 -5.63000 91.94000 -95.26000 18.54000 37.40000 88.15000 0.00000 0.00000 0.00000 5.25000 19.09000 0.00000 -2.70000 0.00000 -1.55000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_21.PDB 10.25000 -44.47000 -16.23000 -77.68000 -6.65000 98.52000 -97.99000 21.41000 40.50000 90.90000 0.00000 0.00000 0.00000 6.79000 19.58000 0.00000 -2.45000 0.00000 -2.40000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_22.PDB 6.40000 -42.81000 -13.30000 -73.97000 -5.77000 91.63000 -95.00000 18.26000 38.45000 88.06000 0.00000 0.00000 0.00000 5.45000 19.05000 0.00000 -2.65000 0.00000 -1.95000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_23.PDB 4.67000 -46.63000 -17.07000 -77.01000 -6.51000 97.52000 -97.00000 20.39000 40.00000 89.39000 0.00000 0.00000 0.00000 6.30000 19.43000 0.00000 -2.39000 0.00000 -2.31000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_24.PDB 11.40000 -43.01000 -14.11000 -74.56000 -5.84000 93.86000 -95.01000 20.34000 38.88000 90.06000 0.00000 0.00000 0.00000 5.36000 19.27000 0.00000 -2.62000 0.00000 -1.96000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_25.PDB 9.49000 -43.15000 -14.23000 -76.16000 -7.66000 97.70000 -95.51000 19.78000 39.65000 88.62000 0.00000 0.00000 0.00000 5.87000 18.65000 0.00000 -2.42000 0.00000 -2.98000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_26.PDB 11.63000 -42.15000 -11.83000 -74.37000 -5.81000 93.19000 -95.18000 21.16000 37.15000 88.68000 0.00000 0.00000 0.00000 4.78000 19.09000 0.00000 -2.43000 0.00000 -1.55000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_27.PDB 8.67000 -45.22000 -13.56000 -74.35000 -5.51000 93.68000 -94.81000 17.92000 38.57000 90.46000 0.00000 0.00000 0.00000 6.24000 19.17000 0.00000 -2.65000 0.00000 -2.11000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_28.PDB 11.61000 -43.60000 -13.94000 -75.98000 -5.23000 95.32000 -96.74000 20.37000 37.74000 90.60000 0.00000 0.00000 0.00000 6.88000 19.41000 0.00000 -2.36000 0.00000 -1.46000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_29.PDB 10.33000 -41.55000 -10.90000 -74.35000 -5.69000 92.78000 -94.91000 17.97000 37.12000 88.77000 0.00000 0.00000 0.00000 5.60000 19.05000 0.00000 -2.53000 0.00000 -1.99000 0.00000 0.00000 65.00000 HSE1_1GCQ-5_30.PDB 10.74000 -44.81000 -15.78000 -76.83000 -6.07000 96.83000 -97.09000 21.46000 39.39000 90.61000 0.00000 0.00000 0.00000 7.60000 19.61000 0.00000 -2.65000 0.00000 -1.91000 0.00000 0.00000 65.00000