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-23_1.PDB 9.44000 -42.14000 -10.86000 -64.42000 -1.42000 77.18000 -83.61000 7.48000 35.75000 91.92000 0.00000 0.00000 0.00000 2.16000 18.06000 0.00000 -2.07000 0.00000 -0.53000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_2.PDB 9.85000 -42.21000 -11.63000 -64.64000 -1.45000 77.54000 -83.63000 8.28000 36.63000 91.76000 0.00000 0.00000 0.00000 2.03000 18.00000 0.00000 -2.24000 0.00000 -0.61000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_3.PDB 10.52000 -42.49000 -11.97000 -64.40000 -1.52000 78.24000 -83.21000 7.73000 37.39000 91.71000 0.00000 0.00000 0.00000 2.16000 18.44000 0.00000 -2.26000 0.00000 -0.87000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_4.PDB 9.91000 -44.59000 -13.13000 -65.92000 -1.23000 80.08000 -84.81000 9.87000 37.93000 93.42000 0.00000 0.00000 0.00000 2.04000 18.44000 0.00000 -2.89000 0.00000 -0.87000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_5.PDB 9.76000 -42.66000 -10.89000 -64.21000 -1.08000 77.04000 -83.42000 8.28000 35.56000 91.86000 0.00000 0.00000 0.00000 1.95000 17.98000 0.00000 -2.08000 0.00000 -0.59000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_6.PDB 8.11000 -44.02000 -11.90000 -64.79000 -0.84000 78.63000 -83.93000 7.66000 35.84000 92.06000 0.00000 0.00000 0.00000 2.26000 18.22000 0.00000 -2.38000 0.00000 -0.48000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_7.PDB 10.36000 -42.48000 -11.62000 -64.39000 -1.48000 77.13000 -83.34000 7.67000 36.78000 92.40000 0.00000 0.00000 0.00000 2.14000 18.23000 0.00000 -1.91000 0.00000 -0.53000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_8.PDB 8.82000 -44.05000 -12.86000 -65.07000 -1.34000 79.17000 -83.82000 7.60000 37.48000 92.60000 0.00000 0.00000 0.00000 2.02000 18.41000 0.00000 -2.28000 0.00000 -0.63000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_9.PDB 9.89000 -43.68000 -11.49000 -65.62000 -0.82000 78.17000 -84.67000 8.25000 37.00000 93.59000 0.00000 0.00000 0.00000 2.10000 18.14000 0.00000 -2.46000 0.00000 -0.48000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_10.PDB 9.85000 -44.50000 -12.33000 -64.79000 -0.95000 78.34000 -83.79000 8.40000 37.19000 92.96000 0.00000 0.00000 0.00000 2.16000 18.29000 0.00000 -2.20000 0.00000 -0.62000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_11.PDB 8.62000 -43.98000 -12.10000 -65.01000 -1.07000 78.40000 -83.88000 8.02000 36.62000 92.72000 0.00000 0.00000 0.00000 2.02000 18.31000 0.00000 -2.70000 0.00000 -0.44000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_12.PDB 8.18000 -42.92000 -11.64000 -65.27000 -1.42000 78.57000 -84.37000 7.62000 36.45000 91.76000 0.00000 0.00000 0.00000 2.45000 18.30000 0.00000 -2.50000 0.00000 -0.56000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_13.PDB 10.11000 -43.11000 -11.20000 -65.30000 -0.95000 77.10000 -85.02000 8.59000 36.98000 93.79000 0.00000 0.00000 0.00000 1.95000 18.39000 0.00000 -2.37000 0.00000 -0.34000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_14.PDB 10.24000 -42.85000 -10.63000 -64.85000 -1.01000 77.12000 -84.43000 8.39000 35.98000 92.77000 0.00000 0.00000 0.00000 2.10000 18.44000 0.00000 -1.97000 0.00000 -0.38000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_15.PDB 9.36000 -43.07000 -11.63000 -65.17000 -1.44000 78.32000 -84.59000 9.27000 36.17000 92.18000 0.00000 0.00000 0.00000 1.94000 18.21000 0.00000 -2.07000 0.00000 -0.55000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_16.PDB 10.74000 -42.80000 -11.04000 -64.29000 -1.07000 77.24000 -83.23000 7.87000 36.35000 92.68000 0.00000 0.00000 0.00000 1.86000 18.16000 0.00000 -2.41000 0.00000 -0.43000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_17.PDB 10.28000 -42.70000 -11.37000 -64.46000 -1.62000 77.41000 -83.70000 8.39000 36.28000 92.50000 0.00000 0.00000 0.00000 2.44000 18.06000 0.00000 -2.35000 0.00000 -0.55000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_18.PDB 10.32000 -42.57000 -12.00000 -64.30000 -1.95000 77.90000 -82.86000 7.60000 37.99000 91.74000 0.00000 0.00000 0.00000 2.30000 18.21000 0.00000 -2.21000 0.00000 -1.32000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_19.PDB 11.38000 -41.89000 -11.42000 -63.89000 -1.67000 76.79000 -83.01000 8.35000 36.59000 92.72000 0.00000 0.00000 0.00000 1.95000 18.23000 0.00000 -2.20000 0.00000 -0.94000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_20.PDB 9.29000 -43.00000 -10.85000 -65.28000 -0.90000 77.67000 -84.58000 7.85000 36.12000 92.38000 0.00000 0.00000 0.00000 2.61000 18.15000 0.00000 -2.19000 0.00000 -0.52000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_21.PDB 10.80000 -43.35000 -12.34000 -65.06000 -1.46000 78.59000 -83.65000 8.23000 37.66000 93.24000 0.00000 0.00000 0.00000 2.58000 18.29000 0.00000 -2.68000 0.00000 -0.96000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_22.PDB 11.28000 -41.71000 -10.59000 -63.23000 -1.68000 76.37000 -81.91000 7.49000 35.88000 91.46000 0.00000 0.00000 0.00000 2.17000 17.98000 0.00000 -1.96000 0.00000 -1.02000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_23.PDB 11.52000 -41.36000 -10.81000 -63.22000 -1.71000 76.27000 -82.00000 7.43000 36.20000 91.82000 0.00000 0.00000 0.00000 2.07000 18.05000 0.00000 -2.24000 0.00000 -0.92000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_24.PDB 11.31000 -43.47000 -12.14000 -64.56000 -1.29000 77.95000 -83.24000 8.25000 37.23000 93.23000 0.00000 0.00000 0.00000 2.78000 18.24000 0.00000 -2.37000 0.00000 -1.04000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_25.PDB 10.65000 -43.56000 -12.21000 -64.64000 -1.62000 78.00000 -83.51000 8.42000 37.24000 94.17000 0.00000 0.00000 0.00000 2.08000 18.09000 0.00000 -2.64000 0.00000 -1.08000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_26.PDB 10.48000 -42.55000 -10.40000 -64.07000 -1.22000 77.25000 -83.28000 7.72000 35.66000 92.09000 0.00000 0.00000 0.00000 1.93000 18.30000 0.00000 -2.07000 0.00000 -0.58000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_27.PDB 11.19000 -41.80000 -11.27000 -64.70000 -1.59000 77.73000 -83.78000 7.73000 37.04000 92.85000 0.00000 0.00000 0.00000 2.41000 18.24000 0.00000 -2.46000 0.00000 -0.98000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_28.PDB 10.89000 -41.85000 -9.68000 -63.59000 -0.89000 75.77000 -83.11000 7.54000 34.99000 91.93000 0.00000 0.00000 0.00000 2.19000 18.09000 0.00000 -1.87000 0.00000 -0.54000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_29.PDB 11.40000 -41.87000 -9.88000 -63.46000 -1.04000 75.78000 -82.71000 7.57000 35.14000 92.33000 0.00000 0.00000 0.00000 1.96000 18.09000 0.00000 -1.96000 0.00000 -0.46000 0.00000 0.00000 64.00000 BUD14_1GCQ-23_30.PDB 10.87000 -42.17000 -10.00000 -64.65000 -0.67000 76.51000 -84.16000 7.58000 36.07000 92.95000 0.00000 0.00000 0.00000 2.14000 18.15000 0.00000 -2.26000 0.00000 -0.47000 0.00000 0.00000 64.00000