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-9_1.PDB 10.04000 -39.37000 -9.27000 -68.55000 -1.31000 79.38000 -89.79000 7.82000 36.88000 93.76000 0.00000 0.00000 0.00000 2.69000 16.56000 0.00000 -1.84000 0.00000 -0.36000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_2.PDB 11.12000 -40.84000 -12.09000 -67.39000 -1.58000 80.51000 -87.53000 7.72000 38.36000 93.59000 0.00000 0.00000 0.00000 2.74000 16.34000 0.00000 -1.85000 0.00000 -0.53000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_3.PDB 9.50000 -40.51000 -9.31000 -69.35000 -1.43000 80.18000 -90.70000 9.30000 37.75000 93.95000 0.00000 0.00000 0.00000 1.86000 16.84000 0.00000 -1.95000 0.00000 -0.28000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_4.PDB 11.50000 -40.84000 -9.60000 -69.02000 -1.42000 80.72000 -90.35000 8.66000 37.95000 94.42000 0.00000 0.00000 0.00000 3.14000 16.55000 0.00000 -1.83000 0.00000 -0.33000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_5.PDB 10.03000 -41.17000 -13.21000 -68.94000 -1.62000 81.58000 -89.70000 10.35000 39.10000 94.07000 0.00000 0.00000 0.00000 2.42000 16.79000 0.00000 -2.29000 0.00000 -0.55000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_6.PDB 12.60000 -39.40000 -9.84000 -66.84000 -1.09000 78.15000 -87.20000 9.17000 36.02000 93.12000 0.00000 0.00000 0.00000 2.33000 16.45000 0.00000 -1.66000 0.00000 -0.17000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_7.PDB 10.26000 -40.69000 -10.91000 -67.40000 -1.59000 79.83000 -87.72000 8.04000 38.12000 92.94000 0.00000 0.00000 0.00000 2.19000 16.38000 0.00000 -1.96000 0.00000 -0.58000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_8.PDB 11.03000 -40.81000 -11.38000 -67.74000 -1.26000 80.29000 -88.54000 7.79000 38.02000 94.33000 0.00000 0.00000 0.00000 2.23000 16.63000 0.00000 -1.64000 0.00000 -0.26000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_9.PDB 11.76000 -41.67000 -11.27000 -66.94000 -1.30000 79.89000 -86.88000 7.82000 38.02000 94.44000 0.00000 0.00000 0.00000 2.29000 16.66000 0.00000 -2.01000 0.00000 -0.63000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_10.PDB 9.94000 -39.39000 -10.33000 -67.27000 -1.33000 78.39000 -87.98000 7.96000 37.01000 92.84000 0.00000 0.00000 0.00000 2.29000 16.35000 0.00000 -1.85000 0.00000 -0.39000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_11.PDB 10.61000 -40.26000 -10.69000 -67.96000 -0.77000 79.37000 -88.63000 8.36000 37.69000 93.24000 0.00000 0.00000 0.00000 2.23000 16.41000 0.00000 -1.80000 0.00000 -0.17000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_12.PDB 12.97000 -39.39000 -9.65000 -66.63000 -1.36000 78.33000 -86.89000 8.86000 36.16000 93.48000 0.00000 0.00000 0.00000 2.28000 16.45000 0.00000 -1.76000 0.00000 -0.46000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_13.PDB 10.46000 -39.33000 -8.10000 -67.09000 -1.33000 77.63000 -87.88000 7.78000 35.69000 92.93000 0.00000 0.00000 0.00000 2.24000 16.41000 0.00000 -1.78000 0.00000 -0.30000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_14.PDB 11.96000 -39.39000 -8.89000 -67.35000 -0.46000 78.09000 -88.23000 8.79000 35.80000 93.33000 0.00000 0.00000 0.00000 2.16000 16.51000 0.00000 -1.72000 0.00000 -0.16000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_15.PDB 10.05000 -40.81000 -9.60000 -68.17000 -1.37000 79.33000 -89.36000 8.94000 37.48000 93.65000 0.00000 0.00000 0.00000 2.08000 16.69000 0.00000 -1.81000 0.00000 -0.32000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_16.PDB 12.46000 -39.43000 -8.17000 -66.85000 -1.31000 77.88000 -87.29000 8.87000 35.37000 93.44000 0.00000 0.00000 0.00000 2.13000 16.55000 0.00000 -1.85000 0.00000 -0.33000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_17.PDB 11.74000 -41.70000 -9.64000 -68.38000 -1.22000 80.26000 -89.02000 7.76000 38.49000 95.13000 0.00000 0.00000 0.00000 2.44000 16.72000 0.00000 -1.78000 0.00000 -0.59000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_18.PDB 9.69000 -40.16000 -10.57000 -67.87000 -1.20000 78.90000 -88.97000 8.64000 37.60000 93.52000 0.00000 0.00000 0.00000 2.14000 16.53000 0.00000 -1.98000 0.00000 -0.36000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_19.PDB 10.34000 -40.83000 -10.53000 -67.74000 -1.37000 80.03000 -88.26000 7.66000 37.68000 93.38000 0.00000 0.00000 0.00000 2.33000 16.58000 0.00000 -1.73000 0.00000 -0.26000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_20.PDB 11.08000 -40.85000 -9.55000 -68.29000 -1.64000 79.75000 -89.62000 9.47000 37.75000 93.99000 0.00000 0.00000 0.00000 2.08000 16.87000 0.00000 -1.61000 0.00000 -0.41000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_21.PDB 11.66000 -41.67000 -12.05000 -67.06000 -1.11000 79.99000 -87.10000 7.80000 38.51000 94.12000 0.00000 0.00000 0.00000 2.23000 16.54000 0.00000 -1.81000 0.00000 -0.17000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_22.PDB 11.36000 -40.82000 -9.61000 -67.91000 -1.50000 80.21000 -88.57000 7.89000 37.49000 94.51000 0.00000 0.00000 0.00000 1.97000 16.68000 0.00000 -1.96000 0.00000 -0.33000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_23.PDB 10.35000 -40.22000 -8.97000 -67.98000 -1.39000 78.62000 -88.85000 9.11000 36.77000 93.40000 0.00000 0.00000 0.00000 2.05000 16.62000 0.00000 -1.86000 0.00000 -0.34000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_24.PDB 11.12000 -39.44000 -8.16000 -68.30000 -1.62000 78.66000 -89.54000 8.94000 36.30000 93.67000 0.00000 0.00000 0.00000 2.88000 16.71000 0.00000 -1.84000 0.00000 -0.45000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_25.PDB 11.44000 -39.94000 -7.83000 -67.07000 -0.99000 77.40000 -87.88000 9.90000 34.85000 93.34000 0.00000 0.00000 0.00000 1.85000 16.59000 0.00000 -1.94000 0.00000 -0.25000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_26.PDB 11.54000 -41.66000 -9.63000 -68.77000 -0.43000 80.72000 -89.48000 8.07000 38.09000 93.88000 0.00000 0.00000 0.00000 2.36000 16.81000 0.00000 -1.42000 0.00000 -0.19000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_27.PDB 10.61000 -40.23000 -11.82000 -66.97000 -1.26000 78.87000 -87.08000 8.08000 37.82000 93.14000 0.00000 0.00000 0.00000 2.24000 16.36000 0.00000 -1.89000 0.00000 -0.28000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_28.PDB 11.65000 -39.35000 -9.87000 -65.94000 -1.12000 77.42000 -86.21000 7.67000 35.82000 93.23000 0.00000 0.00000 0.00000 2.16000 16.29000 0.00000 -1.94000 0.00000 -0.21000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_29.PDB 9.37000 -41.27000 -9.95000 -68.15000 -1.40000 79.87000 -89.22000 7.84000 37.95000 93.71000 0.00000 0.00000 0.00000 1.83000 16.67000 0.00000 -1.55000 0.00000 -0.28000 0.00000 0.00000 65.00000 BUD14_1GCQ-9_30.PDB 13.35000 -39.36000 -9.02000 -64.62000 -0.64000 75.90000 -84.55000 7.62000 34.46000 93.28000 0.00000 0.00000 0.00000 2.20000 16.31000 0.00000 -1.66000 0.00000 -0.26000 0.00000 0.00000 65.00000