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-15_1.PDB 11.79000 -44.66000 -13.91000 -69.80000 -0.26000 84.35000 -90.99000 9.67000 38.80000 98.80000 0.00000 0.00000 0.00000 1.92000 19.54000 0.00000 -2.21000 0.00000 0.06000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_2.PDB 12.74000 -43.66000 -11.50000 -68.25000 -0.28000 82.24000 -88.99000 7.56000 37.33000 98.18000 0.00000 0.00000 0.00000 2.25000 20.00000 0.00000 -2.12000 0.00000 -0.02000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_3.PDB 11.52000 -45.09000 -12.87000 -69.82000 -0.24000 84.82000 -90.95000 8.79000 37.93000 99.13000 0.00000 0.00000 0.00000 1.72000 19.49000 0.00000 -2.01000 0.00000 0.12000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_4.PDB 11.91000 -44.03000 -11.78000 -68.37000 -0.07000 82.41000 -88.89000 7.66000 37.13000 98.21000 0.00000 0.00000 0.00000 1.97000 20.11000 0.00000 -2.52000 0.00000 0.19000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_5.PDB 14.04000 -44.31000 -12.19000 -68.02000 -0.35000 82.56000 -88.44000 8.69000 37.29000 98.70000 0.00000 0.00000 0.00000 2.06000 19.51000 0.00000 -1.92000 0.00000 -0.02000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_6.PDB 11.94000 -44.43000 -13.89000 -69.56000 -0.26000 84.33000 -90.68000 8.77000 38.65000 98.63000 0.00000 0.00000 0.00000 2.37000 19.83000 0.00000 -2.00000 0.00000 0.00000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_7.PDB 12.67000 -43.68000 -11.50000 -69.27000 -0.36000 83.21000 -89.99000 7.45000 37.87000 99.00000 0.00000 0.00000 0.00000 2.16000 19.93000 0.00000 -2.12000 0.00000 -0.09000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_8.PDB 12.64000 -44.36000 -12.13000 -68.99000 -0.22000 83.33000 -89.84000 8.61000 37.61000 98.61000 0.00000 0.00000 0.00000 2.00000 19.59000 0.00000 -2.03000 0.00000 0.05000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_9.PDB 12.37000 -44.74000 -12.50000 -68.67000 -0.22000 83.14000 -89.51000 8.63000 37.35000 98.59000 0.00000 0.00000 0.00000 2.23000 19.79000 0.00000 -1.97000 0.00000 0.05000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_10.PDB 13.69000 -43.00000 -12.42000 -69.23000 -0.33000 83.33000 -90.31000 9.11000 38.07000 97.65000 0.00000 0.00000 0.00000 2.75000 19.93000 0.00000 -1.96000 0.00000 0.03000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_11.PDB 13.63000 -44.88000 -12.70000 -68.26000 -0.41000 83.05000 -88.53000 8.99000 37.20000 99.37000 0.00000 0.00000 0.00000 1.89000 19.59000 0.00000 -2.06000 0.00000 -0.02000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_12.PDB 12.60000 -44.73000 -12.57000 -69.91000 -0.41000 85.03000 -90.60000 8.43000 37.60000 99.48000 0.00000 0.00000 0.00000 2.05000 19.19000 0.00000 -1.81000 0.00000 0.04000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_13.PDB 12.14000 -44.44000 -13.66000 -68.78000 -0.27000 83.53000 -89.52000 8.48000 38.22000 98.63000 0.00000 0.00000 0.00000 2.05000 19.36000 0.00000 -2.12000 0.00000 0.01000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_14.PDB 12.64000 -44.21000 -12.02000 -69.65000 -0.32000 84.56000 -90.19000 7.45000 37.68000 99.25000 0.00000 0.00000 0.00000 1.96000 19.59000 0.00000 -1.94000 0.00000 0.07000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_15.PDB 11.92000 -43.72000 -12.34000 -69.37000 -0.17000 83.53000 -90.41000 8.07000 38.17000 98.01000 0.00000 0.00000 0.00000 2.31000 20.41000 0.00000 -2.26000 0.00000 0.10000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_16.PDB 11.48000 -44.58000 -12.35000 -68.84000 -0.22000 83.83000 -89.48000 7.67000 37.39000 98.25000 0.00000 0.00000 0.00000 1.57000 19.62000 0.00000 -1.87000 0.00000 0.11000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_17.PDB 11.93000 -44.75000 -12.58000 -69.25000 -0.26000 84.22000 -89.81000 8.58000 37.35000 98.39000 0.00000 0.00000 0.00000 1.82000 19.28000 0.00000 -1.86000 0.00000 0.09000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_18.PDB 13.21000 -43.70000 -13.07000 -68.86000 -0.24000 83.13000 -89.30000 7.64000 38.57000 98.85000 0.00000 0.00000 0.00000 2.08000 19.80000 0.00000 -1.91000 0.00000 0.01000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_19.PDB 12.58000 -44.67000 -12.60000 -68.33000 -0.26000 83.84000 -88.79000 8.69000 37.07000 97.59000 0.00000 0.00000 0.00000 1.82000 19.53000 0.00000 -1.85000 0.00000 0.07000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_20.PDB 13.66000 -44.35000 -12.15000 -68.83000 -0.29000 83.47000 -89.51000 8.90000 37.47000 99.13000 0.00000 0.00000 0.00000 1.80000 20.11000 0.00000 -2.00000 0.00000 0.01000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_21.PDB 13.54000 -43.61000 -11.50000 -67.03000 -0.43000 81.67000 -87.35000 7.49000 36.45000 98.32000 0.00000 0.00000 0.00000 1.87000 19.71000 0.00000 -2.34000 0.00000 -0.02000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_22.PDB 12.93000 -44.71000 -12.52000 -69.23000 -0.27000 84.69000 -90.11000 8.57000 37.59000 98.64000 0.00000 0.00000 0.00000 2.02000 19.88000 0.00000 -1.80000 0.00000 0.06000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_23.PDB 12.95000 -43.79000 -11.62000 -68.48000 -0.42000 82.66000 -88.89000 8.61000 36.63000 98.97000 0.00000 0.00000 0.00000 1.65000 19.29000 0.00000 -2.36000 0.00000 -0.02000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_24.PDB 12.84000 -43.99000 -11.81000 -68.18000 -0.37000 82.40000 -88.47000 7.45000 37.19000 99.07000 0.00000 0.00000 0.00000 1.99000 19.09000 0.00000 -2.39000 0.00000 -0.06000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_25.PDB 11.10000 -44.68000 -12.44000 -69.16000 -0.22000 84.25000 -90.14000 7.60000 37.47000 98.00000 0.00000 0.00000 0.00000 2.08000 20.02000 0.00000 -1.78000 0.00000 0.09000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_26.PDB 12.96000 -43.81000 -12.90000 -68.93000 -0.35000 83.39000 -89.51000 8.82000 37.82000 98.84000 0.00000 0.00000 0.00000 1.76000 20.17000 0.00000 -2.17000 0.00000 -0.00000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_27.PDB 11.96000 -44.63000 -13.61000 -68.85000 -0.39000 83.78000 -89.60000 8.60000 38.32000 98.39000 0.00000 0.00000 0.00000 2.08000 19.51000 0.00000 -2.11000 0.00000 -0.04000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_28.PDB 11.50000 -44.17000 -11.90000 -69.48000 -0.19000 82.93000 -90.46000 7.53000 38.56000 98.96000 0.00000 0.00000 0.00000 1.89000 20.10000 0.00000 -2.17000 0.00000 0.01000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_29.PDB 13.49000 -44.43000 -13.01000 -67.97000 -0.40000 83.14000 -88.21000 8.63000 37.56000 98.26000 0.00000 0.00000 0.00000 1.99000 19.91000 0.00000 -2.01000 0.00000 -0.06000 0.00000 0.00000 66.00000 BUD14_1GCQ-15_30.PDB 12.40000 -44.33000 -12.09000 -68.51000 -0.36000 83.08000 -89.02000 8.79000 36.68000 99.07000 0.00000 0.00000 0.00000 1.55000 19.49000 0.00000 -2.48000 0.00000 0.01000 0.00000 0.00000 66.00000