name Intraclash total energy Backbone Hbond 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 3.72217 -12.16000 -2.93000 -4.55000 -10.47000 -0.66000 11.01000 -13.84000 1.44000 5.98000 3.32000 0.00000 0.00000 0.00000 0.06000 0.49000 0.00000 -1.03000 0.00000 -0.50000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_2.PDB 2.82171 -10.02000 -2.22000 -3.63000 -9.84000 -0.82000 10.13000 -13.38000 1.43000 6.24000 3.43000 0.00000 0.00000 0.00000 0.06000 0.30000 0.00000 -0.70000 0.00000 -0.70000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_3.PDB 4.50797 -10.79000 -2.23000 -2.21000 -10.82000 -0.98000 10.20000 -14.64000 1.42000 6.05000 3.35000 0.00000 0.00000 0.00000 0.27000 0.53000 0.00000 -0.46000 0.00000 -0.74000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_4.PDB 3.66266 -11.68000 -2.98000 -4.57000 -10.14000 -0.64000 10.71000 -13.53000 1.26000 6.23000 3.60000 0.00000 0.00000 0.00000 0.06000 0.41000 0.00000 -1.20000 0.00000 -0.49000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_5.PDB 2.96614 -8.79000 -1.43000 -1.43000 -9.55000 -0.73000 8.17000 -13.04000 0.70000 6.25000 3.51000 0.00000 0.00000 0.00000 0.06000 0.27000 0.00000 -0.52000 0.00000 -0.77000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_6.PDB 3.60178 -9.37000 -1.43000 -1.43000 -9.60000 -1.04000 8.42000 -13.05000 0.86000 6.08000 3.43000 0.00000 0.00000 0.00000 0.06000 0.37000 0.00000 -0.64000 0.00000 -1.02000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_7.PDB 3.37146 -10.85000 -2.15000 -3.62000 -9.85000 -0.79000 9.88000 -13.45000 0.98000 6.03000 3.34000 0.00000 0.00000 0.00000 0.07000 0.41000 0.00000 -0.60000 0.00000 -0.67000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_8.PDB 2.98383 -10.21000 -2.18000 -2.18000 -9.88000 -0.71000 9.37000 -13.40000 0.97000 5.66000 3.17000 0.00000 0.00000 0.00000 0.06000 0.37000 0.00000 -0.46000 0.00000 -0.62000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_9.PDB 3.44826 -10.66000 -2.23000 -2.21000 -9.93000 -0.80000 9.90000 -13.16000 0.61000 5.38000 2.98000 0.00000 0.00000 0.00000 0.07000 0.41000 0.00000 -0.57000 0.00000 -0.70000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_10.PDB 4.18563 -11.31000 -2.24000 -2.23000 -10.64000 -0.83000 9.98000 -14.59000 1.46000 5.18000 3.51000 0.00000 0.00000 0.00000 0.15000 0.50000 0.00000 -0.37000 0.00000 -0.70000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_11.PDB 4.04694 -10.88000 -2.23000 -2.23000 -10.23000 -0.70000 9.63000 -14.00000 0.97000 5.36000 3.37000 0.00000 0.00000 0.00000 0.20000 0.52000 0.00000 -0.38000 0.00000 -0.63000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_12.PDB 3.15509 -10.90000 -2.24000 -3.42000 -10.09000 -0.71000 9.96000 -13.86000 0.89000 6.61000 3.37000 0.00000 0.00000 0.00000 0.09000 0.41000 0.00000 -0.87000 0.00000 -0.63000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_13.PDB 3.87729 -11.69000 -2.19000 -4.01000 -10.24000 -1.18000 10.13000 -13.91000 0.80000 7.11000 3.92000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -1.07000 0.00000 -1.10000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_14.PDB 2.92185 -9.46000 -1.44000 -1.43000 -9.56000 -0.92000 8.37000 -13.06000 0.59000 6.00000 3.46000 0.00000 0.00000 0.00000 0.06000 0.42000 0.00000 -0.56000 0.00000 -0.97000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_15.PDB 3.74063 -10.78000 -2.20000 -2.18000 -10.29000 -0.89000 9.92000 -13.73000 1.39000 5.46000 3.09000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.64000 0.00000 -0.79000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_16.PDB 4.41700 -11.22000 -2.23000 -2.59000 -10.90000 -0.94000 10.19000 -14.76000 1.68000 5.64000 3.47000 0.00000 0.00000 0.00000 0.33000 0.57000 0.00000 -0.33000 0.00000 -0.78000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_17.PDB 4.39526 -11.83000 -3.01000 -4.43000 -10.23000 -0.75000 10.85000 -13.62000 1.22000 6.40000 3.24000 0.00000 0.00000 0.00000 0.06000 0.40000 0.00000 -0.86000 0.00000 -0.69000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_18.PDB 4.67074 -12.17000 -2.92000 -5.01000 -10.07000 -1.04000 11.10000 -13.22000 0.86000 6.82000 3.31000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -1.19000 0.00000 -0.87000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_19.PDB 4.27604 -10.50000 -1.43000 -2.18000 -10.03000 -1.34000 8.67000 -13.73000 1.18000 6.31000 3.65000 0.00000 0.00000 0.00000 0.28000 0.56000 0.00000 -0.66000 0.00000 -1.24000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_20.PDB 4.27374 -11.69000 -2.21000 -2.98000 -10.69000 -1.22000 10.90000 -14.44000 1.37000 5.11000 3.55000 0.00000 0.00000 0.00000 0.19000 0.58000 0.00000 -0.39000 0.00000 -0.87000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_21.PDB 2.74601 -9.27000 -1.44000 -1.43000 -9.49000 -0.99000 8.43000 -12.89000 0.60000 5.98000 3.42000 0.00000 0.00000 0.00000 0.04000 0.44000 0.00000 -0.49000 0.00000 -1.03000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_22.PDB 3.15342 -10.51000 -2.23000 -2.23000 -10.14000 -0.84000 9.86000 -13.48000 0.88000 5.50000 3.45000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.63000 0.00000 -0.70000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_23.PDB 3.15391 -9.75000 -2.18000 -2.64000 -10.10000 -0.97000 9.93000 -13.62000 1.01000 6.66000 3.51000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.51000 0.00000 -0.91000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_24.PDB 3.08799 -9.69000 -1.43000 -1.43000 -9.49000 -0.71000 8.02000 -13.05000 0.66000 5.53000 3.45000 0.00000 0.00000 0.00000 0.06000 0.46000 0.00000 -0.45000 0.00000 -0.82000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_25.PDB 3.63991 -10.03000 -2.22000 -3.81000 -9.18000 -0.67000 9.71000 -12.38000 0.59000 5.89000 3.38000 0.00000 0.00000 0.00000 0.08000 0.33000 0.00000 -0.74000 0.00000 -0.68000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_26.PDB 4.12661 -11.83000 -3.03000 -4.45000 -10.84000 -0.77000 11.13000 -14.62000 1.58000 6.62000 3.87000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.81000 0.00000 -0.57000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_27.PDB 3.12530 -10.27000 -2.21000 -2.20000 -9.87000 -0.83000 9.79000 -13.13000 0.57000 5.71000 3.02000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.49000 0.00000 -0.71000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_28.PDB 3.00653 -10.98000 -2.26000 -4.15000 -9.90000 -1.23000 10.00000 -13.34000 0.66000 6.74000 3.91000 0.00000 0.00000 0.00000 0.08000 0.51000 0.00000 -0.77000 0.00000 -0.71000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_29.PDB 3.85798 -10.98000 -2.25000 -2.23000 -10.29000 -1.04000 9.62000 -13.94000 0.92000 5.72000 3.17000 0.00000 0.00000 0.00000 0.13000 0.58000 0.00000 -0.28000 0.00000 -0.53000 0.00000 2.38000 66.00000 BUD14_1GCQ-20_30.PDB 2.87712 -9.27000 -1.44000 -1.43000 -9.61000 -0.99000 8.53000 -13.07000 0.62000 6.08000 3.49000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -0.54000 0.00000 -0.97000 0.00000 2.38000 66.00000