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-19_1.PDB 3.88108 -7.85000 -1.85000 -5.00000 -8.99000 -0.77000 9.59000 -12.37000 1.81000 6.89000 3.97000 0.00000 0.00000 0.00000 0.04000 0.35000 0.00000 -0.47000 0.00000 -0.72000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_2.PDB 3.88362 -5.56000 -1.38000 -1.44000 -8.44000 -0.20000 8.02000 -11.66000 1.99000 4.12000 3.86000 0.00000 0.00000 0.00000 0.04000 0.33000 0.00000 -0.30000 0.00000 -0.17000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_3.PDB 4.04996 -6.67000 -1.78000 -4.18000 -8.57000 -0.54000 9.11000 -11.72000 1.70000 6.15000 4.16000 0.00000 0.00000 0.00000 0.03000 0.36000 0.00000 -0.58000 0.00000 -0.45000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_4.PDB 3.80832 -5.68000 -1.86000 -1.94000 -8.30000 -0.29000 8.26000 -11.14000 1.87000 4.56000 3.82000 0.00000 0.00000 0.00000 0.04000 0.31000 0.00000 -0.39000 0.00000 -0.32000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_5.PDB 3.77675 -6.09000 -1.89000 -1.96000 -8.37000 -0.33000 8.08000 -11.34000 1.58000 4.72000 3.95000 0.00000 0.00000 0.00000 0.02000 0.22000 0.00000 -0.25000 0.00000 -0.29000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_6.PDB 3.88201 -6.07000 -1.84000 -1.92000 -8.37000 -0.28000 8.02000 -11.40000 1.67000 4.72000 3.87000 0.00000 0.00000 0.00000 0.03000 0.22000 0.00000 -0.27000 0.00000 -0.31000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_7.PDB 3.76597 -5.54000 -1.43000 -1.46000 -8.50000 -0.21000 8.35000 -11.45000 1.54000 4.12000 3.94000 0.00000 0.00000 0.00000 0.02000 0.31000 0.00000 -0.27000 0.00000 -0.18000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_8.PDB 3.70132 -6.24000 -1.89000 -2.68000 -8.61000 -0.56000 8.43000 -11.92000 2.04000 5.35000 4.29000 0.00000 0.00000 0.00000 0.02000 0.25000 0.00000 -0.17000 0.00000 -0.54000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_9.PDB 3.72501 -5.47000 -1.93000 -1.96000 -8.39000 -0.38000 7.96000 -11.42000 2.57000 4.87000 4.01000 0.00000 0.00000 0.00000 0.03000 0.23000 0.00000 -0.46000 0.00000 -0.36000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_10.PDB 4.16278 -5.56000 -1.60000 -1.64000 -8.58000 -0.19000 8.18000 -11.67000 1.69000 4.40000 4.14000 0.00000 0.00000 0.00000 0.12000 0.27000 0.00000 -0.28000 0.00000 -0.12000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_11.PDB 3.96100 -5.61000 -1.84000 -2.58000 -8.50000 -0.57000 8.41000 -11.70000 1.90000 5.32000 4.63000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.19000 0.00000 -0.52000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_12.PDB 3.79835 -6.98000 -1.81000 -2.52000 -8.37000 -0.48000 8.05000 -11.37000 1.51000 5.28000 3.85000 0.00000 0.00000 0.00000 0.04000 0.35000 0.00000 -0.77000 0.00000 -0.38000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_13.PDB 2.79236 -5.27000 -1.27000 -1.30000 -8.51000 -0.35000 8.04000 -11.52000 1.88000 4.96000 3.38000 0.00000 0.00000 0.00000 0.04000 0.18000 0.00000 -0.29000 0.00000 -0.33000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_14.PDB 3.75533 -6.75000 -1.94000 -4.38000 -8.83000 -0.60000 9.26000 -12.03000 2.76000 6.00000 4.05000 0.00000 0.00000 0.00000 0.05000 0.31000 0.00000 -0.50000 0.00000 -0.59000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_15.PDB 3.91623 -6.47000 -1.84000 -1.99000 -8.73000 -0.31000 8.37000 -11.95000 1.83000 4.82000 3.96000 0.00000 0.00000 0.00000 0.03000 0.34000 0.00000 -0.38000 0.00000 -0.27000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_16.PDB 3.70732 -5.72000 -1.77000 -1.84000 -8.31000 -0.46000 8.09000 -11.24000 1.67000 4.86000 3.96000 0.00000 0.00000 0.00000 0.03000 0.22000 0.00000 -0.34000 0.00000 -0.36000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_17.PDB 4.02490 -5.63000 -1.79000 -2.53000 -8.42000 -0.51000 8.26000 -11.37000 1.90000 5.56000 3.87000 0.00000 0.00000 0.00000 0.04000 0.21000 0.00000 -0.20000 0.00000 -0.44000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_18.PDB 3.80092 -6.39000 -1.88000 -1.94000 -8.31000 -0.33000 7.92000 -11.39000 1.51000 4.73000 3.90000 0.00000 0.00000 0.00000 0.02000 0.22000 0.00000 -0.32000 0.00000 -0.28000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_19.PDB 4.14652 -5.48000 -1.48000 -1.50000 -8.43000 -0.20000 8.02000 -11.41000 1.65000 4.15000 4.08000 0.00000 0.00000 0.00000 0.11000 0.38000 0.00000 -0.31000 0.00000 -0.16000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_20.PDB 4.06420 -5.57000 -1.88000 -2.73000 -8.83000 -0.66000 8.75000 -11.81000 2.05000 5.73000 4.83000 0.00000 0.00000 0.00000 0.03000 0.34000 0.00000 -0.47000 0.00000 -0.58000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_21.PDB 3.55385 -6.25000 -1.82000 -2.59000 -8.71000 -0.55000 8.63000 -11.92000 1.76000 5.31000 4.36000 0.00000 0.00000 0.00000 0.02000 0.21000 0.00000 -0.13000 0.00000 -0.61000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_22.PDB 4.86701 -5.89000 -1.78000 -1.81000 -8.91000 -0.27000 8.56000 -11.87000 1.59000 4.76000 4.35000 0.00000 0.00000 0.00000 0.22000 0.40000 0.00000 -0.55000 0.00000 -0.18000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_23.PDB 3.71035 -5.72000 -1.37000 -1.42000 -8.45000 -0.08000 8.01000 -11.30000 1.44000 4.06000 3.84000 0.00000 0.00000 0.00000 0.02000 0.30000 0.00000 -0.28000 0.00000 -0.17000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_24.PDB 4.64108 -5.55000 -1.82000 -2.71000 -8.36000 -0.47000 8.04000 -11.17000 1.48000 5.46000 4.85000 0.00000 0.00000 0.00000 0.07000 0.24000 0.00000 -0.53000 0.00000 -0.39000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_25.PDB 3.73406 -6.08000 -1.82000 -2.42000 -8.81000 -0.59000 8.62000 -11.99000 2.06000 5.47000 4.40000 0.00000 0.00000 0.00000 0.02000 0.21000 0.00000 -0.42000 0.00000 -0.60000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_26.PDB 3.75501 -6.23000 -1.79000 -1.94000 -8.91000 -0.33000 8.45000 -12.04000 1.76000 4.96000 4.11000 0.00000 0.00000 0.00000 0.02000 0.28000 0.00000 -0.22000 0.00000 -0.30000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_27.PDB 3.77254 -5.34000 -1.80000 -1.86000 -8.41000 -0.27000 8.30000 -11.29000 2.00000 4.62000 3.90000 0.00000 0.00000 0.00000 0.02000 0.24000 0.00000 -0.31000 0.00000 -0.25000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_28.PDB 3.71025 -7.47000 -1.89000 -4.19000 -9.24000 -0.47000 9.46000 -12.43000 2.24000 6.15000 4.09000 0.00000 0.00000 0.00000 0.04000 0.28000 0.00000 -0.67000 0.00000 -0.56000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_29.PDB 4.35097 -5.58000 -1.86000 -1.93000 -8.26000 -0.37000 8.07000 -11.09000 1.93000 4.53000 4.29000 0.00000 0.00000 0.00000 0.04000 0.40000 0.00000 -0.67000 0.00000 -0.27000 0.00000 2.38000 66.00000 BUD14_1GCQ-19_30.PDB 4.21390 -5.97000 -1.77000 -2.48000 -8.78000 -0.61000 8.39000 -11.90000 2.01000 5.49000 4.63000 0.00000 0.00000 0.00000 0.08000 0.23000 0.00000 -0.43000 0.00000 -0.59000 0.00000 2.38000 66.00000