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-20_1.PDB 10.72000 -44.00000 -13.41000 -70.96000 -1.60000 87.18000 -91.82000 9.96000 38.96000 97.71000 0.00000 0.00000 0.00000 1.87000 17.50000 0.00000 -2.66000 0.00000 -0.50000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_2.PDB 12.54000 -42.18000 -11.36000 -68.83000 -1.56000 83.80000 -89.63000 9.87000 37.56000 95.95000 0.00000 0.00000 0.00000 1.73000 17.28000 0.00000 -2.11000 0.00000 -0.70000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_3.PDB 11.30000 -42.17000 -9.94000 -70.39000 -1.67000 83.90000 -91.75000 10.49000 37.73000 95.39000 0.00000 0.00000 0.00000 2.36000 17.47000 0.00000 -1.90000 0.00000 -0.74000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_4.PDB 11.43000 -43.98000 -13.37000 -70.53000 -1.60000 86.91000 -91.25000 9.71000 39.16000 97.73000 0.00000 0.00000 0.00000 1.89000 17.35000 0.00000 -2.76000 0.00000 -0.49000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_5.PDB 13.71000 -40.59000 -8.47000 -68.15000 -1.56000 80.83000 -88.65000 9.18000 36.79000 95.20000 0.00000 0.00000 0.00000 1.77000 17.04000 0.00000 -1.85000 0.00000 -0.77000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_6.PDB 11.90000 -41.82000 -9.71000 -68.45000 -1.69000 81.46000 -89.08000 10.01000 37.23000 95.66000 0.00000 0.00000 0.00000 1.82000 17.20000 0.00000 -2.51000 0.00000 -1.02000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_7.PDB 11.99000 -42.19000 -11.45000 -69.42000 -1.62000 84.17000 -90.43000 9.80000 37.83000 96.01000 0.00000 0.00000 0.00000 1.93000 17.42000 0.00000 -1.95000 0.00000 -0.67000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_8.PDB 12.60000 -42.22000 -10.03000 -69.08000 -1.47000 83.28000 -89.90000 9.64000 37.36000 95.63000 0.00000 0.00000 0.00000 1.69000 17.34000 0.00000 -1.69000 0.00000 -0.62000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_9.PDB 10.70000 -43.56000 -11.34000 -69.33000 -1.48000 84.40000 -89.91000 9.37000 37.67000 95.88000 0.00000 0.00000 0.00000 2.05000 17.39000 0.00000 -2.36000 0.00000 -0.70000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_10.PDB 11.72000 -43.38000 -11.18000 -70.70000 -1.78000 85.47000 -92.01000 10.14000 38.34000 97.44000 0.00000 0.00000 0.00000 2.12000 17.44000 0.00000 -2.04000 0.00000 -0.70000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_11.PDB 12.67000 -43.29000 -11.08000 -69.97000 -1.65000 85.13000 -90.83000 9.47000 38.19000 96.97000 0.00000 0.00000 0.00000 2.20000 17.45000 0.00000 -1.81000 0.00000 -0.63000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_12.PDB 11.98000 -42.40000 -11.37000 -69.31000 -1.57000 84.13000 -90.30000 9.40000 38.44000 95.89000 0.00000 0.00000 0.00000 2.02000 17.33000 0.00000 -2.33000 0.00000 -0.63000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_13.PDB 10.78000 -42.34000 -12.03000 -69.11000 -2.03000 83.69000 -89.87000 9.35000 38.45000 96.73000 0.00000 0.00000 0.00000 1.85000 17.29000 0.00000 -2.81000 0.00000 -1.10000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_14.PDB 11.04000 -41.87000 -9.74000 -68.43000 -1.56000 81.39000 -89.13000 9.17000 37.16000 95.64000 0.00000 0.00000 0.00000 1.72000 17.28000 0.00000 -2.32000 0.00000 -0.97000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_15.PDB 11.69000 -43.55000 -11.32000 -70.60000 -1.57000 85.49000 -91.53000 10.83000 38.15000 97.12000 0.00000 0.00000 0.00000 1.93000 17.46000 0.00000 -2.48000 0.00000 -0.79000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_16.PDB 12.18000 -43.16000 -11.31000 -70.92000 -1.75000 85.56000 -92.13000 10.41000 38.33000 97.22000 0.00000 0.00000 0.00000 2.51000 17.55000 0.00000 -1.80000 0.00000 -0.78000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_17.PDB 10.51000 -43.83000 -13.05000 -69.63000 -1.63000 85.39000 -90.44000 10.18000 38.58000 96.13000 0.00000 0.00000 0.00000 1.97000 17.36000 0.00000 -2.50000 0.00000 -0.69000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_18.PDB 11.12000 -43.70000 -13.58000 -70.48000 -1.85000 86.86000 -91.10000 10.07000 39.42000 97.07000 0.00000 0.00000 0.00000 2.00000 17.45000 0.00000 -2.71000 0.00000 -0.87000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_19.PDB 13.11000 -41.53000 -10.15000 -69.42000 -2.19000 82.96000 -90.10000 9.93000 38.13000 96.57000 0.00000 0.00000 0.00000 2.24000 17.35000 0.00000 -2.11000 0.00000 -1.24000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_20.PDB 11.96000 -43.32000 -11.89000 -70.96000 -2.10000 86.80000 -91.99000 10.14000 38.37000 97.44000 0.00000 0.00000 0.00000 2.20000 17.52000 0.00000 -1.89000 0.00000 -0.87000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_21.PDB 11.43000 -41.82000 -9.68000 -68.34000 -1.57000 81.45000 -88.94000 9.14000 37.09000 95.48000 0.00000 0.00000 0.00000 1.66000 17.31000 0.00000 -2.00000 0.00000 -1.03000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_22.PDB 11.48000 -43.56000 -11.34000 -70.32000 -1.56000 85.36000 -91.06000 9.58000 38.23000 97.38000 0.00000 0.00000 0.00000 1.80000 17.40000 0.00000 -2.32000 0.00000 -0.70000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_23.PDB 13.31000 -42.15000 -10.41000 -69.60000 -1.78000 84.66000 -90.14000 9.38000 38.50000 95.87000 0.00000 0.00000 0.00000 1.90000 17.33000 0.00000 -2.02000 0.00000 -0.91000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_24.PDB 12.22000 -42.00000 -9.87000 -68.47000 -1.60000 81.63000 -89.13000 9.37000 37.21000 96.27000 0.00000 0.00000 0.00000 1.74000 17.32000 0.00000 -2.10000 0.00000 -0.82000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_25.PDB 13.03000 -42.11000 -11.49000 -68.34000 -1.34000 83.66000 -88.83000 8.96000 37.27000 95.88000 0.00000 0.00000 0.00000 2.43000 17.28000 0.00000 -2.37000 0.00000 -0.68000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_26.PDB 11.04000 -43.83000 -13.05000 -70.17000 -1.70000 86.02000 -91.12000 10.38000 38.73000 96.70000 0.00000 0.00000 0.00000 1.86000 17.53000 0.00000 -2.20000 0.00000 -0.57000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_27.PDB 11.77000 -43.47000 -11.26000 -70.11000 -1.55000 85.35000 -90.73000 9.28000 38.39000 96.73000 0.00000 0.00000 0.00000 1.81000 17.43000 0.00000 -1.96000 0.00000 -0.71000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_28.PDB 11.64000 -42.19000 -11.89000 -70.16000 -1.94000 84.96000 -91.18000 9.21000 38.64000 97.24000 0.00000 0.00000 0.00000 1.88000 17.49000 0.00000 -2.21000 0.00000 -0.71000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_29.PDB 11.89000 -43.00000 -10.77000 -69.60000 -1.65000 83.84000 -90.64000 9.51000 37.47000 97.05000 0.00000 0.00000 0.00000 2.04000 17.53000 0.00000 -1.81000 0.00000 -0.53000 0.00000 0.00000 66.00000 BUD14_1GCQ-20_30.PDB 12.11000 -41.84000 -9.69000 -68.32000 -1.65000 81.65000 -88.88000 9.13000 37.18000 96.04000 0.00000 0.00000 0.00000 1.67000 17.31000 0.00000 -2.23000 0.00000 -0.97000 0.00000 0.00000 66.00000