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-21_1.PDB 3.43927 -6.86000 -0.48000 -1.22000 -5.85000 -0.46000 4.03000 -8.73000 0.43000 3.71000 1.99000 0.00000 0.00000 0.00000 0.27000 0.24000 0.00000 -0.23000 0.00000 -0.32000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_2.PDB 3.65286 -6.38000 -0.48000 -1.33000 -5.95000 -0.48000 4.55000 -8.52000 0.56000 4.21000 1.71000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.32000 0.00000 -0.38000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_3.PDB 5.67265 -7.99000 -0.51000 -1.33000 -6.25000 -0.56000 4.26000 -9.19000 0.75000 3.75000 1.78000 0.00000 0.00000 0.00000 0.24000 0.22000 0.00000 -0.37000 0.00000 -0.55000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_4.PDB 4.85214 -7.33000 -0.48000 -0.52000 -6.07000 -1.09000 4.81000 -8.64000 0.69000 3.01000 1.53000 0.00000 0.00000 0.00000 0.36000 0.24000 0.00000 -0.24000 0.00000 -0.69000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_5.PDB 4.34208 -6.08000 -0.47000 -0.46000 -6.23000 -1.04000 5.09000 -8.65000 0.84000 4.07000 1.75000 0.00000 0.00000 0.00000 0.06000 0.33000 0.00000 -0.30000 0.00000 -0.74000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_6.PDB 5.91684 -6.44000 -0.49000 -1.22000 -5.91000 -0.53000 4.38000 -8.56000 0.59000 3.86000 2.20000 0.00000 0.00000 0.00000 0.06000 0.29000 0.00000 -0.36000 0.00000 -0.44000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_7.PDB 3.35569 -7.87000 -0.54000 -2.97000 -5.26000 -0.47000 3.59000 -7.76000 0.59000 3.94000 1.38000 0.00000 0.00000 0.00000 0.22000 0.43000 0.00000 -0.24000 0.00000 -0.35000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_8.PDB 3.21625 -7.59000 -0.53000 -3.03000 -5.37000 -0.50000 3.91000 -7.74000 0.66000 4.17000 1.56000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -0.39000 0.00000 -0.39000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_9.PDB 4.48296 -5.63000 -0.43000 -0.43000 -5.33000 -0.01000 4.11000 -7.87000 0.68000 1.83000 1.56000 0.00000 0.00000 0.00000 0.44000 0.36000 0.00000 -0.29000 0.00000 0.12000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_10.PDB 3.92078 -7.25000 -0.54000 -1.47000 -5.49000 -0.98000 4.30000 -7.90000 0.68000 3.71000 1.43000 0.00000 0.00000 0.00000 0.22000 0.46000 0.00000 -0.41000 0.00000 -0.82000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_11.PDB 3.85871 -5.51000 -0.48000 -2.22000 -5.19000 -0.00000 4.29000 -7.34000 0.72000 3.11000 1.57000 0.00000 0.00000 0.00000 0.12000 0.42000 0.00000 -0.22000 0.00000 0.13000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_12.PDB 5.19255 -6.29000 -0.55000 -1.33000 -6.11000 -0.67000 4.94000 -8.84000 0.63000 3.61000 1.62000 0.00000 0.00000 0.00000 0.83000 0.35000 0.00000 -0.07000 0.00000 -0.32000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_13.PDB 2.84180 -7.12000 -0.56000 -1.38000 -5.45000 -0.47000 3.83000 -8.19000 0.42000 3.82000 1.45000 0.00000 0.00000 0.00000 0.20000 0.17000 0.00000 -0.36000 0.00000 -0.44000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_14.PDB 3.48570 -7.53000 -0.53000 -3.07000 -6.16000 -0.71000 5.15000 -8.93000 0.39000 5.34000 1.64000 0.00000 0.00000 0.00000 0.07000 0.25000 0.00000 -0.26000 0.00000 -0.46000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_15.PDB 3.31012 -6.91000 -0.53000 -1.95000 -5.59000 -1.04000 4.74000 -7.76000 0.63000 4.26000 1.70000 0.00000 0.00000 0.00000 0.06000 0.54000 0.00000 -0.60000 0.00000 -0.82000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_16.PDB 3.13953 -5.75000 -0.51000 -1.24000 -5.73000 -0.36000 4.54000 -8.20000 0.65000 4.06000 1.54000 0.00000 0.00000 0.00000 0.11000 0.30000 0.00000 -0.31000 0.00000 -0.30000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_17.PDB 3.52719 -7.73000 -0.46000 -1.25000 -5.92000 -0.60000 4.07000 -8.88000 0.65000 3.53000 1.68000 0.00000 0.00000 0.00000 0.26000 0.26000 0.00000 -0.40000 0.00000 -0.40000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_18.PDB 3.44683 -7.74000 -0.49000 -1.30000 -5.87000 -0.43000 3.85000 -8.81000 0.51000 3.45000 1.61000 0.00000 0.00000 0.00000 0.33000 0.31000 0.00000 -0.26000 0.00000 -0.33000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_19.PDB 3.55726 -7.53000 -0.53000 -3.04000 -6.06000 -0.50000 4.62000 -8.67000 0.60000 4.85000 1.73000 0.00000 0.00000 0.00000 0.07000 0.51000 0.00000 -0.23000 0.00000 -0.38000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_20.PDB 4.72437 -7.03000 -0.50000 -1.43000 -5.78000 -0.64000 4.39000 -8.31000 0.73000 3.45000 1.85000 0.00000 0.00000 0.00000 0.25000 0.23000 0.00000 -0.47000 0.00000 -0.57000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_21.PDB 4.20502 -5.71000 -0.46000 -1.34000 -5.78000 -0.43000 4.19000 -8.39000 0.62000 3.96000 2.22000 0.00000 0.00000 0.00000 0.06000 0.34000 0.00000 -0.02000 0.00000 -0.35000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_22.PDB 3.26433 -6.66000 -0.48000 -1.39000 -5.63000 -1.24000 5.07000 -7.96000 0.60000 3.44000 1.72000 0.00000 0.00000 0.00000 0.09000 0.28000 0.00000 -0.25000 0.00000 -0.61000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_23.PDB 4.77462 -7.03000 -0.47000 -2.92000 -5.85000 -0.87000 5.27000 -8.19000 0.73000 3.93000 2.23000 0.00000 0.00000 0.00000 0.08000 0.25000 0.00000 -0.39000 0.00000 -0.59000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_24.PDB 4.42071 -7.69000 -0.55000 -3.04000 -5.23000 -0.53000 3.81000 -7.67000 0.88000 3.77000 1.38000 0.00000 0.00000 0.00000 0.25000 0.43000 0.00000 -0.30000 0.00000 -0.46000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_25.PDB 4.70239 -8.72000 -0.62000 -4.24000 -6.04000 -1.34000 5.99000 -8.09000 0.77000 4.25000 1.08000 0.00000 0.00000 0.00000 0.20000 0.80000 0.00000 -0.07000 0.00000 -0.62000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_26.PDB 4.53923 -7.83000 -0.52000 -2.26000 -5.82000 -1.51000 5.01000 -7.80000 0.91000 4.06000 1.12000 0.00000 0.00000 0.00000 0.08000 0.61000 0.00000 -0.20000 0.00000 -0.88000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_27.PDB 5.42821 -7.92000 -0.55000 -2.88000 -5.48000 -0.61000 3.79000 -7.92000 0.85000 4.09000 1.67000 0.00000 0.00000 0.00000 0.06000 0.60000 0.00000 -0.34000 0.00000 -0.60000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_28.PDB 4.27228 -6.37000 -0.50000 -1.30000 -5.78000 -0.47000 4.03000 -8.53000 0.61000 3.68000 2.17000 0.00000 0.00000 0.00000 0.29000 0.25000 0.00000 -0.21000 0.00000 -0.35000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_29.PDB 3.87549 -6.47000 -0.50000 -1.24000 -5.86000 -0.50000 4.34000 -8.35000 0.49000 4.17000 1.62000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.26000 0.00000 -0.45000 0.00000 2.38000 67.00000 BUD14_1GCQ-21_30.PDB 5.05720 -4.96000 -0.45000 -0.45000 -5.20000 -0.05000 3.88000 -7.62000 0.73000 1.95000 2.04000 0.00000 0.00000 0.00000 0.38000 0.36000 0.00000 -0.22000 0.00000 0.06000 0.00000 2.38000 67.00000