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-1_1.PDB 5.82649 -8.82000 -1.07000 -5.11000 -9.16000 -1.74000 8.65000 -12.36000 3.42000 6.67000 2.98000 0.00000 0.00000 0.00000 0.21000 0.48000 0.00000 -0.21000 0.00000 -1.10000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_2.PDB 5.15689 -7.15000 -1.01000 -4.31000 -8.66000 -1.29000 8.16000 -11.84000 4.06000 6.00000 2.70000 0.00000 0.00000 0.00000 0.25000 0.31000 0.00000 -0.55000 0.00000 -0.66000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_3.PDB 5.88140 -6.37000 -1.72000 -5.21000 -10.41000 -0.82000 9.35000 -13.70000 7.59000 7.04000 3.12000 0.00000 0.00000 0.00000 0.31000 0.79000 0.00000 -1.17000 0.00000 -0.76000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_4.PDB 5.07630 -8.84000 -1.92000 -3.37000 -8.58000 -0.96000 7.49000 -11.78000 2.37000 5.88000 2.97000 0.00000 0.00000 0.00000 0.27000 0.47000 0.00000 -0.49000 0.00000 -0.70000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_5.PDB 5.88295 -8.26000 -1.09000 -4.82000 -8.63000 -1.72000 8.10000 -11.82000 4.34000 6.02000 2.56000 0.00000 0.00000 0.00000 0.37000 0.38000 0.00000 -0.56000 0.00000 -1.02000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_6.PDB 6.44355 -7.29000 -1.95000 -3.39000 -8.92000 -0.94000 7.97000 -12.11000 3.73000 5.91000 2.96000 0.00000 0.00000 0.00000 0.42000 0.58000 0.00000 -0.40000 0.00000 -0.55000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_7.PDB 5.43751 -6.96000 -1.97000 -3.61000 -9.02000 -0.82000 8.21000 -12.24000 4.18000 5.87000 3.01000 0.00000 0.00000 0.00000 0.29000 0.47000 0.00000 -0.40000 0.00000 -0.46000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_8.PDB 5.37891 -7.38000 -1.03000 -4.30000 -8.76000 -1.44000 8.35000 -11.93000 4.19000 5.87000 2.55000 0.00000 0.00000 0.00000 0.28000 0.37000 0.00000 -0.36000 0.00000 -0.80000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_9.PDB 5.73023 -7.47000 -1.02000 -5.17000 -9.04000 -2.18000 9.39000 -12.17000 4.15000 6.75000 2.87000 0.00000 0.00000 0.00000 0.25000 0.37000 0.00000 -0.14000 0.00000 -1.16000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_10.PDB 4.54606 -7.76000 -1.96000 -3.44000 -8.71000 -0.73000 7.49000 -11.98000 3.20000 5.89000 2.96000 0.00000 0.00000 0.00000 0.30000 0.51000 0.00000 -0.35000 0.00000 -0.44000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_11.PDB 5.61887 -8.78000 -1.95000 -3.44000 -8.80000 -1.09000 7.85000 -11.99000 2.60000 6.07000 2.91000 0.00000 0.00000 0.00000 0.48000 0.52000 0.00000 -0.59000 0.00000 -0.84000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_12.PDB 5.29536 -7.87000 -2.13000 -3.64000 -8.94000 -1.51000 8.93000 -11.78000 4.34000 5.74000 2.08000 0.00000 0.00000 0.00000 0.25000 0.48000 0.00000 -0.55000 0.00000 -0.66000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_13.PDB 5.44789 -6.03000 -1.06000 -2.57000 -8.70000 -1.01000 7.80000 -11.97000 3.82000 5.23000 2.58000 0.00000 0.00000 0.00000 0.67000 0.44000 0.00000 -0.29000 0.00000 -0.53000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_14.PDB 5.33667 -9.13000 -2.10000 -5.17000 -8.99000 -1.37000 8.98000 -11.76000 3.35000 6.87000 2.52000 0.00000 0.00000 0.00000 0.30000 0.63000 0.00000 -0.91000 0.00000 -0.85000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_15.PDB 6.03391 -7.09000 -1.74000 -5.02000 -8.90000 -2.06000 9.64000 -11.83000 4.86000 5.90000 3.02000 0.00000 0.00000 0.00000 0.40000 0.22000 0.00000 -0.32000 0.00000 -1.04000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_16.PDB 6.22097 -8.49000 -1.16000 -4.68000 -9.87000 -1.04000 7.76000 -13.92000 6.03000 6.43000 2.79000 0.00000 0.00000 0.00000 0.22000 0.68000 0.00000 -0.11000 0.00000 -0.95000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_17.PDB 5.05379 -6.30000 -1.31000 -2.78000 -8.07000 -0.87000 7.21000 -11.04000 4.07000 5.51000 1.81000 0.00000 0.00000 0.00000 0.24000 0.51000 0.00000 -0.51000 0.00000 -0.56000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_18.PDB 5.47519 -8.51000 -1.04000 -4.30000 -9.00000 -1.74000 8.72000 -12.22000 3.55000 5.94000 2.81000 0.00000 0.00000 0.00000 0.32000 0.36000 0.00000 -0.53000 0.00000 -1.04000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_19.PDB 5.56074 -7.17000 -1.96000 -3.60000 -8.75000 -0.78000 7.98000 -11.84000 4.06000 5.72000 2.93000 0.00000 0.00000 0.00000 0.37000 0.38000 0.00000 -0.80000 0.00000 -0.49000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_20.PDB 5.86753 -7.09000 -1.08000 -4.17000 -10.15000 -1.08000 9.02000 -13.91000 5.47000 6.37000 3.26000 0.00000 0.00000 0.00000 0.31000 0.66000 0.00000 -0.39000 0.00000 -0.72000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_21.PDB 5.03560 -7.11000 -2.13000 -3.65000 -8.76000 -1.02000 8.33000 -11.67000 4.32000 5.99000 2.51000 0.00000 0.00000 0.00000 0.29000 0.42000 0.00000 -0.53000 0.00000 -0.78000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_22.PDB 5.42832 -8.62000 -2.08000 -5.29000 -9.02000 -1.80000 9.15000 -11.81000 4.03000 7.06000 2.79000 0.00000 0.00000 0.00000 0.27000 0.51000 0.00000 -0.76000 0.00000 -1.17000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_23.PDB 5.87151 -9.96000 -1.94000 -3.45000 -8.90000 -0.95000 7.17000 -12.62000 2.19000 6.10000 3.11000 0.00000 0.00000 0.00000 0.34000 0.45000 0.00000 -0.38000 0.00000 -0.64000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_24.PDB 5.15426 -7.26000 -2.13000 -3.63000 -8.55000 -0.80000 8.16000 -11.33000 3.46000 5.77000 2.66000 0.00000 0.00000 0.00000 0.24000 0.44000 0.00000 -0.58000 0.00000 -0.52000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_25.PDB 5.16570 -8.34000 -1.95000 -3.47000 -8.59000 -0.95000 7.16000 -11.99000 3.36000 5.86000 2.97000 0.00000 0.00000 0.00000 0.21000 0.50000 0.00000 -0.25000 0.00000 -0.69000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_26.PDB 6.89565 -8.26000 -1.96000 -4.31000 -10.61000 -1.67000 9.44000 -14.43000 6.13000 7.26000 3.61000 0.00000 0.00000 0.00000 0.42000 0.97000 0.00000 -1.03000 0.00000 -1.11000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_27.PDB 5.08330 -7.01000 -2.16000 -3.66000 -8.84000 -0.87000 8.33000 -11.88000 4.15000 6.03000 2.51000 0.00000 0.00000 0.00000 0.40000 0.35000 0.00000 -0.42000 0.00000 -0.61000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_28.PDB 7.71374 -4.63000 -1.99000 -3.45000 -8.93000 -0.84000 7.52000 -12.45000 7.46000 5.81000 2.93000 0.00000 0.00000 0.00000 0.66000 0.67000 0.00000 -0.76000 0.00000 -0.60000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_29.PDB 6.05063 -7.14000 -1.96000 -3.46000 -8.50000 -0.75000 7.43000 -11.76000 3.70000 5.57000 2.83000 0.00000 0.00000 0.00000 0.27000 0.45000 0.00000 -0.09000 0.00000 -0.44000 0.00000 2.38000 67.00000 BUD14_1GCQ-1_30.PDB 6.34088 -8.02000 -2.01000 -3.44000 -10.40000 -0.78000 8.32000 -14.28000 6.12000 6.50000 3.11000 0.00000 0.00000 0.00000 0.33000 0.85000 0.00000 -0.61000 0.00000 -0.88000 0.00000 2.38000 67.00000