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-11_1.PDB 1.82700 -3.65000 -1.00000 -0.87000 -5.32000 -0.34000 4.00000 -7.60000 2.17000 3.48000 2.48000 0.00000 0.00000 0.00000 0.03000 0.53000 0.00000 -0.26000 0.00000 -0.42000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_2.PDB 2.16645 -4.97000 -0.98000 -0.87000 -5.43000 -0.44000 4.14000 -7.72000 1.54000 3.72000 1.90000 0.00000 0.00000 0.00000 0.02000 0.41000 0.00000 -0.31000 0.00000 -0.55000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_3.PDB 3.18235 -6.00000 -0.89000 -0.78000 -5.88000 -0.10000 4.68000 -8.20000 1.23000 2.66000 1.90000 0.00000 0.00000 0.00000 0.10000 0.65000 0.00000 -0.51000 0.00000 -0.22000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_4.PDB 1.97164 -4.45000 -1.00000 -0.88000 -5.21000 -0.37000 4.21000 -7.44000 1.01000 3.47000 2.40000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.25000 0.00000 -0.42000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_5.PDB 2.01254 -4.88000 -0.98000 -0.88000 -5.48000 -0.38000 3.86000 -7.98000 2.40000 3.57000 1.78000 0.00000 0.00000 0.00000 0.04000 0.88000 0.00000 -0.35000 0.00000 -0.48000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_6.PDB 1.77139 -4.74000 -0.99000 -0.88000 -6.08000 -0.48000 4.97000 -8.59000 1.04000 4.10000 2.97000 0.00000 0.00000 0.00000 0.02000 0.49000 0.00000 -0.28000 0.00000 -0.56000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_7.PDB 1.75388 -5.29000 -0.99000 -0.88000 -5.30000 -0.35000 4.01000 -7.69000 1.12000 3.54000 1.83000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -0.24000 0.00000 -0.37000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_8.PDB 3.53316 -5.87000 -1.69000 -1.59000 -6.47000 -0.33000 5.98000 -8.45000 0.99000 4.11000 2.72000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.73000 0.00000 -0.50000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_9.PDB 2.50723 -2.98000 -0.96000 -0.87000 -5.86000 -0.48000 4.40000 -8.20000 2.32000 4.52000 2.72000 0.00000 0.00000 0.00000 0.16000 0.72000 0.00000 -0.19000 0.00000 -0.54000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_10.PDB 1.81839 -6.47000 -0.97000 -0.87000 -6.36000 -0.48000 4.78000 -9.13000 1.13000 4.18000 2.10000 0.00000 0.00000 0.00000 0.02000 0.54000 0.00000 -0.33000 0.00000 -0.55000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_11.PDB 2.65048 -5.09000 -0.12000 0.00000 -5.78000 -0.28000 3.55000 -8.74000 2.15000 2.49000 2.10000 0.00000 0.00000 0.00000 0.03000 0.37000 0.00000 -0.13000 0.00000 -0.36000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_12.PDB 2.65224 -3.05000 -0.94000 -0.85000 -5.74000 -0.47000 4.43000 -8.02000 2.20000 4.46000 2.55000 0.00000 0.00000 0.00000 0.14000 0.75000 0.00000 -0.21000 0.00000 -0.59000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_13.PDB 2.41011 -2.55000 -0.93000 -0.85000 -5.94000 -0.34000 4.57000 -8.28000 2.20000 4.61000 2.92000 0.00000 0.00000 0.00000 0.16000 0.69000 0.00000 -0.27000 0.00000 -0.40000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_14.PDB 1.88044 -4.87000 -0.97000 -0.88000 -5.39000 -0.50000 3.76000 -7.81000 2.26000 3.74000 1.92000 0.00000 0.00000 0.00000 0.05000 0.70000 0.00000 -0.51000 0.00000 -0.54000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_15.PDB 2.03270 -4.60000 -0.98000 -0.88000 -5.04000 -0.41000 4.03000 -7.25000 0.96000 3.45000 2.27000 0.00000 0.00000 0.00000 0.03000 0.38000 0.00000 -0.33000 0.00000 -0.47000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_16.PDB 2.45560 -3.49000 -0.92000 -0.84000 -5.79000 -0.37000 4.65000 -8.13000 1.11000 4.50000 2.83000 0.00000 0.00000 0.00000 0.13000 0.53000 0.00000 -0.24000 0.00000 -0.43000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_17.PDB 2.75893 -5.26000 -0.95000 -0.87000 -6.74000 -0.48000 4.89000 -9.61000 1.25000 4.95000 3.02000 0.00000 0.00000 0.00000 0.19000 0.72000 0.00000 -0.31000 0.00000 -0.59000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_18.PDB 1.59797 -6.41000 -0.98000 -0.88000 -5.37000 -0.45000 3.83000 -7.80000 1.09000 3.56000 1.34000 0.00000 0.00000 0.00000 0.02000 0.43000 0.00000 -0.26000 0.00000 -0.52000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_19.PDB 2.00578 -5.12000 -0.97000 -0.86000 -5.75000 -0.67000 4.50000 -8.16000 0.99000 4.30000 2.55000 0.00000 0.00000 0.00000 0.02000 0.41000 0.00000 -0.38000 0.00000 -0.70000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_20.PDB 2.14088 -4.05000 -0.95000 -0.88000 -6.39000 -0.53000 5.36000 -8.92000 1.08000 4.97000 2.86000 0.00000 0.00000 0.00000 0.13000 0.55000 0.00000 -0.16000 0.00000 -0.62000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_21.PDB 1.85360 -5.36000 -0.98000 -0.88000 -6.10000 -0.46000 4.94000 -8.65000 1.01000 3.98000 2.62000 0.00000 0.00000 0.00000 0.03000 0.48000 0.00000 -0.32000 0.00000 -0.55000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_22.PDB 1.82991 -5.48000 -0.99000 -0.87000 -5.34000 -0.38000 3.92000 -7.78000 1.10000 3.63000 1.85000 0.00000 0.00000 0.00000 0.03000 0.48000 0.00000 -0.25000 0.00000 -0.41000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_23.PDB 2.18644 -3.17000 -0.95000 -0.87000 -5.54000 -0.30000 4.37000 -7.88000 1.16000 4.37000 2.83000 0.00000 0.00000 0.00000 0.17000 0.61000 0.00000 -0.19000 0.00000 -0.33000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_24.PDB 3.31111 -4.64000 -1.68000 -1.60000 -6.62000 -0.42000 6.17000 -8.54000 1.11000 5.12000 2.95000 0.00000 0.00000 0.00000 0.16000 0.54000 0.00000 -0.70000 0.00000 -0.58000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_25.PDB 1.86278 -5.07000 -1.00000 -0.88000 -5.65000 -0.46000 4.34000 -7.98000 1.01000 3.82000 2.47000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.22000 0.00000 -0.54000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_26.PDB 1.83881 -6.33000 -0.93000 -0.84000 -6.04000 -0.31000 4.13000 -8.71000 1.08000 3.89000 2.05000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -0.33000 0.00000 -0.34000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_27.PDB 2.06434 -4.22000 -0.95000 -0.88000 -6.51000 -0.53000 5.09000 -9.19000 1.15000 5.14000 3.11000 0.00000 0.00000 0.00000 0.16000 0.67000 0.00000 -0.21000 0.00000 -0.60000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_28.PDB 1.64138 -6.01000 -0.99000 -0.88000 -6.15000 -0.44000 4.69000 -8.82000 1.13000 4.13000 2.07000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -0.27000 0.00000 -0.51000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_29.PDB 3.05194 -4.71000 -0.95000 -0.87000 -6.40000 -0.50000 4.83000 -9.06000 1.11000 4.74000 3.16000 0.00000 0.00000 0.00000 0.13000 0.47000 0.00000 -0.29000 0.00000 -0.60000 0.00000 2.38000 64.00000 BUD14_1GCQ-11_30.PDB 2.02494 -2.72000 -0.95000 -0.88000 -5.73000 -0.38000 4.18000 -8.08000 2.25000 4.62000 2.88000 0.00000 0.00000 0.00000 0.16000 0.78000 0.00000 -0.36000 0.00000 -0.43000 0.00000 2.38000 64.00000