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-12_1.PDB 10.97000 -41.76000 -9.61000 -64.26000 -0.74000 76.42000 -84.07000 8.23000 34.38000 92.18000 0.00000 0.00000 0.00000 2.28000 18.27000 0.00000 -1.76000 0.00000 -0.31000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_2.PDB 11.05000 -41.67000 -9.50000 -64.53000 -0.58000 76.41000 -84.84000 10.17000 33.55000 91.57000 0.00000 0.00000 0.00000 2.44000 18.31000 0.00000 -1.77000 0.00000 -0.18000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_3.PDB 12.25000 -42.58000 -10.40000 -64.67000 -0.74000 77.34000 -84.60000 9.81000 34.60000 92.67000 0.00000 0.00000 0.00000 2.79000 18.36000 0.00000 -1.67000 0.00000 -0.31000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_4.PDB 10.82000 -41.78000 -9.60000 -64.65000 -0.84000 76.39000 -84.68000 9.29000 34.74000 92.03000 0.00000 0.00000 0.00000 2.29000 18.26000 0.00000 -2.05000 0.00000 -0.30000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_5.PDB 9.38000 -40.90000 -8.73000 -63.60000 -0.56000 74.99000 -83.62000 7.97000 33.02000 90.72000 0.00000 0.00000 0.00000 2.02000 18.15000 0.00000 -1.76000 0.00000 -0.17000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_6.PDB 11.26000 -41.70000 -9.52000 -63.78000 -0.70000 75.73000 -83.77000 10.37000 33.09000 91.48000 0.00000 0.00000 0.00000 2.11000 18.25000 0.00000 -1.79000 0.00000 -0.26000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_7.PDB 10.89000 -42.30000 -10.13000 -66.00000 -0.63000 78.21000 -86.63000 9.30000 35.31000 92.70000 0.00000 0.00000 0.00000 3.04000 18.67000 0.00000 -1.74000 0.00000 -0.24000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_8.PDB 9.61000 -41.76000 -9.58000 -65.72000 -0.72000 77.04000 -86.28000 8.80000 35.19000 92.27000 0.00000 0.00000 0.00000 2.68000 18.66000 0.00000 -2.06000 0.00000 -0.25000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_9.PDB 9.26000 -41.73000 -9.53000 -63.57000 -0.71000 75.45000 -83.59000 9.18000 33.06000 90.55000 0.00000 0.00000 0.00000 2.06000 18.16000 0.00000 -1.70000 0.00000 -0.21000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_10.PDB 11.37000 -42.50000 -10.31000 -64.60000 -0.68000 76.80000 -84.58000 10.34000 34.39000 91.99000 0.00000 0.00000 0.00000 2.33000 18.28000 0.00000 -1.72000 0.00000 -0.10000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_11.PDB 10.15000 -41.67000 -9.53000 -63.91000 -0.70000 76.00000 -84.01000 8.82000 33.44000 91.50000 0.00000 0.00000 0.00000 2.33000 17.96000 0.00000 -1.91000 0.00000 -0.22000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_12.PDB 9.96000 -41.71000 -9.52000 -65.24000 -0.71000 77.27000 -85.85000 9.07000 34.36000 91.67000 0.00000 0.00000 0.00000 2.78000 18.45000 0.00000 -1.96000 0.00000 -0.20000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_13.PDB 11.83000 -41.70000 -9.51000 -64.18000 -0.72000 76.61000 -84.31000 8.99000 33.66000 92.46000 0.00000 0.00000 0.00000 2.68000 18.26000 0.00000 -1.85000 0.00000 -0.29000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_14.PDB 12.32000 -41.74000 -9.56000 -65.52000 -0.68000 77.53000 -85.78000 8.91000 35.21000 93.67000 0.00000 0.00000 0.00000 2.39000 18.47000 0.00000 -1.89000 0.00000 -0.21000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_15.PDB 10.82000 -41.64000 -9.46000 -65.83000 -0.62000 77.36000 -86.78000 9.73000 34.53000 92.78000 0.00000 0.00000 0.00000 2.74000 18.63000 0.00000 -1.84000 0.00000 -0.16000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_16.PDB 9.14000 -40.91000 -8.74000 -64.96000 -0.70000 76.14000 -85.54000 8.84000 34.08000 90.85000 0.00000 0.00000 0.00000 2.21000 18.43000 0.00000 -1.89000 0.00000 -0.24000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_17.PDB 9.81000 -41.62000 -9.48000 -65.72000 -0.51000 77.11000 -86.55000 10.02000 34.08000 91.81000 0.00000 0.00000 0.00000 2.56000 18.71000 0.00000 -1.83000 0.00000 -0.06000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_18.PDB 11.48000 -42.62000 -10.44000 -64.79000 -0.80000 77.82000 -84.72000 9.97000 34.87000 92.16000 0.00000 0.00000 0.00000 2.27000 18.25000 0.00000 -1.95000 0.00000 -0.29000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_19.PDB 10.86000 -41.86000 -9.62000 -64.26000 -0.69000 76.47000 -84.19000 9.70000 33.50000 91.98000 0.00000 0.00000 0.00000 2.19000 18.40000 0.00000 -2.16000 0.00000 -0.21000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_20.PDB 9.10000 -41.73000 -9.53000 -65.44000 -0.71000 76.97000 -86.37000 9.41000 34.53000 91.67000 0.00000 0.00000 0.00000 2.50000 18.51000 0.00000 -1.97000 0.00000 -0.22000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_21.PDB 12.06000 -41.63000 -9.45000 -64.88000 -0.57000 76.95000 -85.25000 9.69000 33.86000 92.57000 0.00000 0.00000 0.00000 2.71000 18.26000 0.00000 -1.84000 0.00000 -0.09000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_22.PDB 12.00000 -41.73000 -9.55000 -64.81000 -0.63000 76.97000 -85.14000 9.94000 33.91000 92.31000 0.00000 0.00000 0.00000 2.77000 18.19000 0.00000 -1.78000 0.00000 -0.26000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_23.PDB 11.58000 -40.90000 -8.74000 -65.86000 -0.63000 76.98000 -86.94000 8.12000 34.81000 93.73000 0.00000 0.00000 0.00000 3.06000 18.71000 0.00000 -1.75000 0.00000 -0.29000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_24.PDB 11.77000 -40.86000 -8.70000 -64.75000 -0.60000 76.17000 -85.18000 8.64000 33.79000 92.66000 0.00000 0.00000 0.00000 2.81000 18.29000 0.00000 -2.01000 0.00000 -0.19000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_25.PDB 10.26000 -40.91000 -8.73000 -64.37000 -0.58000 75.51000 -84.66000 8.75000 33.34000 91.64000 0.00000 0.00000 0.00000 2.34000 18.25000 0.00000 -1.94000 0.00000 -0.14000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_26.PDB 8.93000 -40.91000 -8.75000 -65.16000 -0.50000 76.18000 -85.79000 8.93000 33.96000 90.77000 0.00000 0.00000 0.00000 2.21000 18.50000 0.00000 -1.99000 0.00000 -0.01000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_27.PDB 10.59000 -41.68000 -9.51000 -64.04000 -0.56000 75.81000 -84.16000 9.88000 33.05000 91.53000 0.00000 0.00000 0.00000 2.21000 18.26000 0.00000 -1.81000 0.00000 -0.11000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_28.PDB 10.10000 -40.90000 -8.72000 -63.63000 -0.66000 75.18000 -83.55000 8.64000 32.98000 90.89000 0.00000 0.00000 0.00000 2.04000 18.21000 0.00000 -1.93000 0.00000 -0.26000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_29.PDB 9.59000 -41.76000 -9.59000 -65.13000 -0.59000 76.86000 -85.74000 9.62000 34.06000 91.68000 0.00000 0.00000 0.00000 2.28000 18.55000 0.00000 -2.05000 0.00000 -0.05000 0.00000 0.00000 65.00000 BUD14_1GCQ-12_30.PDB 10.82000 -40.90000 -8.74000 -64.07000 -0.63000 75.63000 -84.32000 8.31000 33.23000 92.09000 0.00000 0.00000 0.00000 2.25000 18.25000 0.00000 -1.80000 0.00000 -0.22000 0.00000 0.00000 65.00000