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 BUD14_1GCQ-4_1.PDB 15.92000 -43.81000 -13.41000 -68.81000 -2.29000 84.72000 -88.46000 16.09000 37.60000 95.36000 0.00000 0.00000 0.00000 2.29000 16.80000 0.00000 -1.91000 0.00000 -1.45000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_2.PDB 15.70000 -43.93000 -13.31000 -68.76000 -2.34000 84.65000 -88.56000 16.15000 37.58000 95.46000 0.00000 0.00000 0.00000 2.28000 16.79000 0.00000 -2.04000 0.00000 -1.47000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_3.PDB 14.84000 -44.70000 -14.89000 -68.79000 -2.60000 84.88000 -88.41000 16.32000 38.38000 95.93000 0.00000 0.00000 0.00000 2.24000 16.78000 0.00000 -1.91000 0.00000 -1.62000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_4.PDB 14.03000 -45.68000 -15.64000 -69.07000 -3.19000 86.70000 -88.50000 16.11000 38.60000 95.78000 0.00000 0.00000 0.00000 2.35000 17.07000 0.00000 -1.75000 0.00000 -1.70000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_5.PDB 14.33000 -43.29000 -12.66000 -68.12000 -2.68000 83.53000 -87.95000 15.85000 36.75000 94.25000 0.00000 0.00000 0.00000 2.02000 16.67000 0.00000 -1.86000 0.00000 -1.51000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_6.PDB 16.10000 -43.99000 -14.28000 -69.00000 -2.54000 85.14000 -88.59000 16.27000 37.77000 96.42000 0.00000 0.00000 0.00000 2.34000 16.81000 0.00000 -1.91000 0.00000 -1.53000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_7.PDB 13.22000 -43.69000 -14.72000 -68.35000 -3.02000 84.82000 -87.82000 15.50000 38.13000 94.35000 0.00000 0.00000 0.00000 2.04000 16.61000 0.00000 -1.99000 0.00000 -2.01000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_8.PDB 15.86000 -44.86000 -14.15000 -69.31000 -3.09000 86.47000 -89.00000 16.26000 38.07000 96.49000 0.00000 0.00000 0.00000 2.50000 17.10000 0.00000 -1.79000 0.00000 -1.74000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_9.PDB 16.61000 -43.67000 -12.62000 -68.43000 -2.38000 84.52000 -88.52000 15.95000 36.57000 96.40000 0.00000 0.00000 0.00000 2.28000 17.51000 0.00000 -1.89000 0.00000 -1.60000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_10.PDB 15.80000 -44.38000 -14.04000 -69.02000 -2.93000 85.91000 -88.68000 15.93000 37.82000 96.43000 0.00000 0.00000 0.00000 2.29000 17.57000 0.00000 -1.70000 0.00000 -1.82000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_11.PDB 15.06000 -44.78000 -13.76000 -68.57000 -2.71000 85.66000 -87.89000 16.32000 36.87000 95.49000 0.00000 0.00000 0.00000 2.38000 17.11000 0.00000 -2.10000 0.00000 -1.85000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_12.PDB 17.39000 -44.00000 -12.68000 -69.62000 -3.33000 86.40000 -89.01000 16.69000 38.17000 95.89000 0.00000 0.00000 0.00000 2.97000 16.96000 0.00000 -2.30000 0.00000 -1.80000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_13.PDB 15.15000 -44.75000 -14.41000 -68.66000 -3.06000 86.16000 -87.91000 16.37000 37.31000 95.26000 0.00000 0.00000 0.00000 2.59000 17.13000 0.00000 -1.77000 0.00000 -1.98000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_14.PDB 18.44000 -43.00000 -12.27000 -68.48000 -2.30000 83.75000 -88.04000 17.60000 37.50000 95.10000 0.00000 0.00000 0.00000 2.41000 16.95000 0.00000 -2.27000 0.00000 -1.57000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_15.PDB 14.48000 -44.05000 -14.09000 -68.93000 -2.55000 84.62000 -88.73000 16.65000 37.62000 95.23000 0.00000 0.00000 0.00000 2.38000 16.72000 0.00000 -1.94000 0.00000 -1.74000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_16.PDB 15.54000 -44.61000 -14.55000 -68.80000 -3.16000 86.02000 -88.21000 16.97000 37.80000 95.19000 0.00000 0.00000 0.00000 2.37000 16.94000 0.00000 -1.66000 0.00000 -1.82000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_17.PDB 13.49000 -44.45000 -13.73000 -68.44000 -2.49000 84.02000 -88.18000 15.99000 37.87000 94.29000 0.00000 0.00000 0.00000 2.19000 16.69000 0.00000 -1.98000 0.00000 -1.58000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_18.PDB 15.87000 -45.44000 -14.66000 -68.96000 -2.98000 86.39000 -88.36000 15.77000 38.61000 96.57000 0.00000 0.00000 0.00000 2.37000 17.07000 0.00000 -1.77000 0.00000 -1.66000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_19.PDB 12.11000 -44.59000 -14.71000 -68.46000 -2.68000 84.40000 -88.17000 15.55000 37.95000 94.38000 0.00000 0.00000 0.00000 2.02000 16.67000 0.00000 -1.96000 0.00000 -1.64000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_20.PDB 19.57000 -44.86000 -14.08000 -69.43000 -3.34000 87.37000 -88.85000 17.21000 38.63000 96.44000 0.00000 0.00000 0.00000 4.20000 16.85000 0.00000 -1.95000 0.00000 -1.77000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_21.PDB 16.19000 -45.52000 -14.32000 -69.02000 -2.86000 86.34000 -88.43000 16.14000 38.52000 96.47000 0.00000 0.00000 0.00000 2.38000 17.74000 0.00000 -1.82000 0.00000 -1.67000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_22.PDB 17.41000 -44.90000 -13.57000 -68.71000 -2.33000 85.43000 -88.68000 17.37000 37.21000 96.54000 0.00000 0.00000 0.00000 2.39000 17.65000 0.00000 -1.88000 0.00000 -1.44000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_23.PDB 14.02000 -43.96000 -14.22000 -68.07000 -2.62000 84.13000 -87.49000 15.52000 37.22000 94.92000 0.00000 0.00000 0.00000 2.10000 16.62000 0.00000 -1.90000 0.00000 -1.61000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_24.PDB 13.52000 -44.03000 -14.25000 -68.34000 -2.72000 84.48000 -87.90000 15.54000 37.27000 94.77000 0.00000 0.00000 0.00000 2.15000 16.71000 0.00000 -1.86000 0.00000 -1.58000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_25.PDB 15.04000 -45.62000 -14.90000 -68.32000 -2.74000 85.90000 -87.56000 16.04000 38.08000 95.34000 0.00000 0.00000 0.00000 2.36000 17.02000 0.00000 -1.70000 0.00000 -1.84000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_26.PDB 18.15000 -44.71000 -12.73000 -69.32000 -2.43000 86.26000 -88.93000 16.16000 37.66000 97.43000 0.00000 0.00000 0.00000 2.36000 17.70000 0.00000 -2.07000 0.00000 -1.54000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_27.PDB 15.34000 -44.26000 -14.45000 -68.03000 -2.40000 84.07000 -87.47000 16.36000 37.99000 95.22000 0.00000 0.00000 0.00000 2.37000 16.75000 0.00000 -2.17000 0.00000 -1.91000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_28.PDB 14.61000 -44.03000 -13.55000 -68.04000 -2.41000 83.69000 -87.61000 16.48000 36.58000 94.70000 0.00000 0.00000 0.00000 2.19000 17.33000 0.00000 -1.89000 0.00000 -1.50000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_29.PDB 14.00000 -44.71000 -14.92000 -68.56000 -3.26000 85.91000 -87.87000 16.28000 37.59000 95.14000 0.00000 0.00000 0.00000 2.13000 17.56000 0.00000 -1.80000 0.00000 -1.93000 0.00000 0.00000 67.00000 BUD14_1GCQ-4_30.PDB 18.18000 -43.90000 -12.25000 -68.57000 -1.95000 83.98000 -87.91000 15.97000 38.10000 95.36000 0.00000 0.00000 0.00000 2.78000 16.69000 0.00000 -1.99000 0.00000 -1.44000 0.00000 0.00000 67.00000