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-2_1.PDB 3.88458 1.25000 -0.45000 -1.21000 -7.50000 -0.45000 7.18000 -9.95000 8.21000 3.20000 3.45000 0.00000 0.00000 0.00000 0.13000 0.64000 0.00000 -0.92000 0.00000 -0.44000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_2.PDB 4.42777 0.12000 -0.46000 -0.32000 -7.33000 -0.54000 6.51000 -9.82000 7.77000 2.79000 2.46000 0.00000 0.00000 0.00000 0.12000 0.63000 0.00000 -0.31000 0.00000 -0.74000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_3.PDB 4.23376 0.99000 -0.44000 -1.35000 -6.99000 -0.40000 6.61000 -9.30000 8.13000 2.63000 2.90000 0.00000 0.00000 0.00000 0.11000 0.52000 0.00000 -0.43000 0.00000 -0.47000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_4.PDB 3.68169 0.63000 -0.41000 -1.21000 -7.66000 -0.70000 7.49000 -10.14000 7.34000 3.63000 3.01000 0.00000 0.00000 0.00000 0.50000 0.52000 0.00000 -0.44000 0.00000 -0.78000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_5.PDB 3.69340 0.96000 -0.44000 -1.14000 -7.15000 -0.36000 6.40000 -9.63000 7.90000 2.79000 3.42000 0.00000 0.00000 0.00000 0.11000 0.54000 0.00000 -0.47000 0.00000 -0.47000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_6.PDB 4.07840 1.44000 -0.44000 -0.30000 -7.30000 -0.43000 6.51000 -9.79000 8.29000 2.61000 3.07000 0.00000 0.00000 0.00000 0.12000 0.63000 0.00000 -0.36000 0.00000 -0.54000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_7.PDB 4.60611 -0.22000 -0.47000 -1.25000 -7.59000 -0.54000 7.25000 -10.05000 6.47000 3.35000 3.12000 0.00000 0.00000 0.00000 0.79000 0.55000 0.00000 -0.58000 0.00000 -0.72000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_8.PDB 4.12640 1.37000 -0.14000 -0.80000 -7.58000 -0.71000 7.27000 -10.02000 8.39000 3.37000 3.01000 0.00000 0.00000 0.00000 0.19000 0.56000 0.00000 -0.89000 0.00000 -0.73000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_9.PDB 3.85564 -1.98000 -0.17000 -0.77000 -8.31000 -0.54000 7.43000 -10.99000 5.86000 4.04000 2.48000 0.00000 0.00000 0.00000 0.17000 0.75000 0.00000 -0.46000 0.00000 -0.72000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_10.PDB 3.71866 0.90000 -0.47000 -1.31000 -7.84000 -0.66000 7.41000 -10.41000 7.82000 3.59000 3.58000 0.00000 0.00000 0.00000 0.59000 0.53000 0.00000 -0.71000 0.00000 -0.68000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_11.PDB 3.35029 0.28000 -0.44000 -0.31000 -7.11000 -0.54000 6.38000 -9.62000 7.57000 2.67000 2.57000 0.00000 0.00000 0.00000 0.13000 0.50000 0.00000 -0.48000 0.00000 -0.54000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_12.PDB 3.92625 1.15000 -0.46000 -1.47000 -7.74000 -0.59000 7.40000 -10.21000 8.23000 3.39000 3.48000 0.00000 0.00000 0.00000 0.14000 0.64000 0.00000 -0.38000 0.00000 -0.63000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_13.PDB 4.40334 0.73000 -0.46000 -1.31000 -7.52000 -0.50000 7.21000 -9.93000 8.09000 3.28000 3.11000 0.00000 0.00000 0.00000 0.13000 0.68000 0.00000 -0.66000 0.00000 -0.70000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_14.PDB 3.67033 0.51000 -0.45000 -1.35000 -7.46000 -0.31000 7.02000 -9.94000 7.88000 2.96000 3.02000 0.00000 0.00000 0.00000 0.11000 0.56000 0.00000 -0.60000 0.00000 -0.36000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_15.PDB 3.46473 -2.08000 -0.13000 -1.64000 -7.65000 -0.42000 6.84000 -10.24000 5.48000 3.51000 2.73000 0.00000 0.00000 0.00000 0.08000 0.58000 0.00000 -0.27000 0.00000 -0.37000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_16.PDB 4.06891 -2.15000 -0.14000 -2.33000 -8.70000 -0.62000 8.47000 -11.44000 6.12000 4.64000 3.13000 0.00000 0.00000 0.00000 0.14000 0.72000 0.00000 -0.76000 0.00000 -0.66000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_17.PDB 3.22926 -1.11000 -0.42000 -2.06000 -7.49000 -0.44000 6.34000 -10.23000 7.48000 3.23000 2.67000 0.00000 0.00000 0.00000 0.61000 0.52000 0.00000 -0.37000 0.00000 -0.43000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_18.PDB 3.36181 -0.60000 -0.11000 -0.69000 -7.93000 -0.46000 7.46000 -10.51000 6.06000 3.53000 2.88000 0.00000 0.00000 0.00000 0.09000 0.57000 0.00000 -0.48000 0.00000 -0.44000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_19.PDB 4.42281 -0.31000 -0.48000 -1.20000 -7.29000 -0.48000 6.71000 -9.79000 5.79000 3.13000 3.48000 0.00000 0.00000 0.00000 0.73000 0.49000 0.00000 -0.44000 0.00000 -0.48000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_20.PDB 3.88473 0.94000 -0.40000 -0.29000 -7.34000 -0.47000 6.49000 -9.95000 7.54000 2.92000 2.84000 0.00000 0.00000 0.00000 0.46000 0.45000 0.00000 -0.32000 0.00000 -0.53000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_21.PDB 5.54754 0.66000 -1.07000 -0.94000 -6.86000 -0.49000 6.62000 -8.92000 7.16000 2.97000 2.44000 0.00000 0.00000 0.00000 0.53000 0.77000 0.00000 -0.40000 0.00000 -0.38000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_22.PDB 3.69919 0.07000 -0.47000 -1.51000 -7.66000 -0.45000 7.10000 -10.23000 8.04000 3.30000 2.96000 0.00000 0.00000 0.00000 0.14000 0.67000 0.00000 -0.53000 0.00000 -0.62000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_23.PDB 3.41164 -0.11000 -0.16000 -2.79000 -7.78000 -0.44000 7.29000 -10.38000 7.42000 4.17000 3.36000 0.00000 0.00000 0.00000 0.52000 0.59000 0.00000 -0.70000 0.00000 -0.63000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_24.PDB 3.86041 0.84000 -0.44000 -1.21000 -7.12000 -0.47000 6.65000 -9.48000 7.85000 2.82000 3.31000 0.00000 0.00000 0.00000 0.11000 0.53000 0.00000 -0.76000 0.00000 -0.44000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_25.PDB 3.71519 0.25000 -0.47000 -0.31000 -7.47000 -0.41000 6.54000 -10.08000 7.60000 2.66000 2.55000 0.00000 0.00000 0.00000 0.66000 0.58000 0.00000 -0.49000 0.00000 -0.52000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_26.PDB 3.69909 1.24000 -0.45000 -1.89000 -7.52000 -0.49000 7.22000 -9.98000 8.26000 3.67000 3.10000 0.00000 0.00000 0.00000 0.14000 0.54000 0.00000 -0.35000 0.00000 -0.46000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_27.PDB 4.24593 0.68000 -0.45000 -1.48000 -7.10000 -0.42000 6.76000 -9.46000 8.04000 2.79000 2.80000 0.00000 0.00000 0.00000 0.12000 0.51000 0.00000 -0.49000 0.00000 -0.44000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_28.PDB 5.23512 -0.62000 -0.47000 -1.21000 -7.61000 -0.48000 7.10000 -10.14000 6.30000 3.33000 3.03000 0.00000 0.00000 0.00000 0.64000 0.61000 0.00000 -0.44000 0.00000 -0.67000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_29.PDB 3.90818 -3.15000 -0.14000 -2.65000 -8.14000 -0.37000 7.66000 -10.79000 5.74000 3.92000 2.45000 0.00000 0.00000 0.00000 0.12000 0.61000 0.00000 -0.58000 0.00000 -0.37000 0.00000 2.38000 67.00000 BUD14_1GCQ-2_30.PDB 4.48841 1.16000 -0.17000 -2.72000 -7.27000 -0.33000 6.89000 -9.59000 8.97000 3.65000 2.44000 0.00000 0.00000 0.00000 0.16000 0.77000 0.00000 -0.40000 0.00000 -0.48000 0.00000 2.38000 67.00000