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-1_1.PDB 13.55000 -43.66000 -15.65000 -70.60000 -1.95000 84.97000 -90.76000 14.80000 40.47000 96.75000 0.00000 0.00000 0.00000 2.75000 17.48000 0.00000 -2.46000 0.00000 -1.10000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_2.PDB 14.21000 -43.40000 -14.66000 -69.51000 -1.76000 83.65000 -89.67000 14.58000 39.40000 95.93000 0.00000 0.00000 0.00000 2.96000 17.31000 0.00000 -2.66000 0.00000 -0.66000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_3.PDB 15.68000 -44.04000 -15.50000 -70.31000 -1.28000 83.37000 -90.88000 18.17000 40.13000 96.72000 0.00000 0.00000 0.00000 3.11000 17.81000 0.00000 -3.04000 0.00000 -0.76000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_4.PDB 13.39000 -43.78000 -13.16000 -69.32000 -1.22000 82.58000 -89.66000 12.76000 39.04000 96.67000 0.00000 0.00000 0.00000 3.04000 17.49000 0.00000 -2.86000 0.00000 -0.70000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_5.PDB 13.91000 -43.61000 -15.30000 -69.69000 -2.00000 83.66000 -89.96000 15.12000 39.90000 96.28000 0.00000 0.00000 0.00000 3.57000 17.32000 0.00000 -3.05000 0.00000 -1.02000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_6.PDB 15.41000 -44.41000 -13.82000 -69.84000 -1.31000 83.62000 -89.96000 15.11000 39.55000 96.53000 0.00000 0.00000 0.00000 3.49000 17.52000 0.00000 -2.99000 0.00000 -0.55000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_7.PDB 14.23000 -44.13000 -13.69000 -70.05000 -1.21000 83.57000 -90.48000 15.14000 39.28000 96.26000 0.00000 0.00000 0.00000 2.75000 17.52000 0.00000 -2.76000 0.00000 -0.46000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_8.PDB 14.33000 -43.64000 -14.86000 -69.14000 -1.80000 83.51000 -89.36000 15.01000 39.01000 96.35000 0.00000 0.00000 0.00000 2.89000 17.29000 0.00000 -2.84000 0.00000 -0.80000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_9.PDB 15.14000 -43.54000 -15.64000 -70.07000 -2.41000 85.47000 -90.22000 15.38000 40.29000 96.74000 0.00000 0.00000 0.00000 2.83000 17.36000 0.00000 -2.54000 0.00000 -1.16000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_10.PDB 13.43000 -44.34000 -13.77000 -69.42000 -1.09000 82.99000 -89.56000 13.23000 39.32000 96.55000 0.00000 0.00000 0.00000 2.93000 17.49000 0.00000 -2.97000 0.00000 -0.44000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_11.PDB 13.85000 -43.89000 -13.35000 -69.80000 -1.35000 83.12000 -90.19000 12.95000 39.45000 96.68000 0.00000 0.00000 0.00000 3.79000 17.52000 0.00000 -2.73000 0.00000 -0.84000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_12.PDB 14.25000 -45.52000 -14.94000 -70.15000 -1.76000 85.81000 -90.03000 15.14000 40.24000 96.33000 0.00000 0.00000 0.00000 2.81000 17.72000 0.00000 -3.02000 0.00000 -0.66000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_13.PDB 15.70000 -42.65000 -12.13000 -69.07000 -1.46000 82.28000 -89.61000 13.75000 37.67000 95.73000 0.00000 0.00000 0.00000 4.25000 17.30000 0.00000 -2.53000 0.00000 -0.53000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_14.PDB 11.73000 -44.67000 -15.68000 -69.78000 -1.69000 84.12000 -89.74000 14.12000 40.22000 95.90000 0.00000 0.00000 0.00000 2.95000 17.59000 0.00000 -3.15000 0.00000 -0.85000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_15.PDB 15.78000 -44.38000 -15.61000 -69.45000 -2.29000 85.26000 -89.36000 15.93000 39.19000 96.86000 0.00000 0.00000 0.00000 3.42000 17.15000 0.00000 -2.75000 0.00000 -1.04000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_16.PDB 13.46000 -43.53000 -14.99000 -70.03000 -1.31000 82.47000 -91.07000 16.70000 39.51000 96.19000 0.00000 0.00000 0.00000 2.92000 17.69000 0.00000 -2.46000 0.00000 -0.95000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_17.PDB 15.73000 -43.73000 -13.16000 -68.36000 -1.16000 82.29000 -88.36000 14.59000 38.52000 95.55000 0.00000 0.00000 0.00000 2.79000 17.50000 0.00000 -2.68000 0.00000 -0.56000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_18.PDB 13.50000 -43.60000 -14.83000 -70.03000 -2.01000 84.50000 -90.27000 14.36000 39.56000 96.65000 0.00000 0.00000 0.00000 3.06000 17.30000 0.00000 -2.83000 0.00000 -1.04000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_19.PDB 14.99000 -44.13000 -13.78000 -69.63000 -1.13000 83.20000 -90.03000 14.64000 38.75000 96.58000 0.00000 0.00000 0.00000 3.65000 17.43000 0.00000 -2.65000 0.00000 -0.49000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_20.PDB 13.46000 -42.53000 -13.64000 -70.65000 -1.45000 82.75000 -91.91000 16.02000 39.48000 95.66000 0.00000 0.00000 0.00000 3.01000 17.51000 0.00000 -2.55000 0.00000 -0.72000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_21.PDB 14.34000 -44.52000 -13.99000 -69.49000 -1.21000 83.61000 -89.55000 14.82000 39.38000 96.26000 0.00000 0.00000 0.00000 2.99000 17.39000 0.00000 -3.18000 0.00000 -0.78000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_22.PDB 13.33000 -44.32000 -15.44000 -69.54000 -2.06000 84.27000 -89.42000 14.87000 39.96000 96.29000 0.00000 0.00000 0.00000 2.94000 17.48000 0.00000 -3.05000 0.00000 -1.17000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_23.PDB 12.55000 -43.84000 -13.29000 -69.38000 -1.58000 82.14000 -90.19000 13.14000 39.33000 96.04000 0.00000 0.00000 0.00000 3.42000 17.44000 0.00000 -2.59000 0.00000 -0.64000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_24.PDB 13.62000 -44.48000 -13.94000 -68.88000 -1.10000 82.84000 -88.81000 13.84000 38.52000 95.94000 0.00000 0.00000 0.00000 3.10000 17.46000 0.00000 -2.89000 0.00000 -0.52000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_25.PDB 13.81000 -43.91000 -13.41000 -69.43000 -1.25000 82.33000 -90.02000 14.00000 39.11000 96.71000 0.00000 0.00000 0.00000 2.77000 17.53000 0.00000 -2.40000 0.00000 -0.69000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_26.PDB 14.68000 -43.70000 -14.00000 -70.40000 -1.96000 83.26000 -91.33000 17.05000 39.79000 96.50000 0.00000 0.00000 0.00000 3.56000 17.83000 0.00000 -2.98000 0.00000 -1.11000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_27.PDB 13.88000 -44.69000 -14.14000 -69.36000 -1.14000 83.41000 -89.48000 14.68000 39.20000 96.04000 0.00000 0.00000 0.00000 3.02000 17.31000 0.00000 -3.06000 0.00000 -0.61000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_28.PDB 17.54000 -43.61000 -12.98000 -69.44000 -1.26000 81.99000 -90.30000 20.14000 38.14000 94.67000 0.00000 0.00000 0.00000 3.68000 17.61000 0.00000 -2.89000 0.00000 -0.60000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_29.PDB 13.92000 -44.30000 -13.75000 -69.57000 -1.12000 82.67000 -90.11000 14.99000 39.03000 95.98000 0.00000 0.00000 0.00000 3.10000 17.45000 0.00000 -2.57000 0.00000 -0.44000 0.00000 0.00000 67.00000 BUD14_1GCQ-1_30.PDB 13.76000 -44.55000 -13.95000 -70.58000 -1.08000 82.99000 -91.51000 16.70000 39.67000 96.65000 0.00000 0.00000 0.00000 3.30000 17.86000 0.00000 -3.00000 0.00000 -0.88000 0.00000 0.00000 67.00000