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_1SEM-29_1.PDB 1.11055 -7.03000 -0.39000 -0.35000 -6.53000 -0.07000 4.59000 -9.78000 0.21000 3.23000 2.29000 0.00000 0.00000 0.00000 0.02000 0.48000 0.00000 -0.22000 0.00000 -0.04000 0.00000 2.38000 67.00000 BUD14_1SEM-29_2.PDB 3.86517 -10.65000 -0.49000 -0.76000 -8.92000 -1.27000 6.42000 -12.95000 1.31000 4.28000 2.44000 0.00000 0.00000 0.00000 0.06000 0.61000 0.00000 -0.46000 0.00000 -0.31000 0.00000 2.38000 67.00000 BUD14_1SEM-29_3.PDB 3.82853 -10.36000 -0.32000 -0.33000 -8.68000 -0.63000 5.62000 -12.71000 0.95000 3.71000 2.45000 0.00000 0.00000 0.00000 0.03000 0.53000 0.00000 -0.45000 0.00000 -0.01000 0.00000 2.38000 67.00000 BUD14_1SEM-29_4.PDB 1.31622 -6.83000 -0.36000 -0.33000 -7.23000 0.06000 4.58000 -10.84000 1.60000 3.56000 2.42000 0.00000 0.00000 0.00000 0.03000 0.50000 0.00000 -0.21000 0.00000 -0.11000 0.00000 2.38000 67.00000 BUD14_1SEM-29_5.PDB 2.21455 -8.69000 -0.39000 -0.39000 -7.47000 -0.65000 5.25000 -11.04000 0.60000 3.60000 2.27000 0.00000 0.00000 0.00000 0.04000 0.47000 0.00000 -0.43000 0.00000 -0.09000 0.00000 2.38000 67.00000 BUD14_1SEM-29_6.PDB 1.40258 -7.11000 -0.33000 -0.28000 -5.85000 -0.07000 3.48000 -9.33000 0.95000 2.92000 1.62000 0.00000 0.00000 0.00000 0.04000 0.35000 0.00000 -0.22000 0.00000 -0.04000 0.00000 2.38000 67.00000 BUD14_1SEM-29_7.PDB 1.15184 -6.90000 -0.40000 -0.35000 -6.27000 -0.04000 4.09000 -9.35000 0.61000 3.16000 1.96000 0.00000 0.00000 0.00000 0.01000 0.40000 0.00000 -0.28000 0.00000 -0.03000 0.00000 2.38000 67.00000 BUD14_1SEM-29_8.PDB 3.75556 -9.86000 -0.39000 -1.06000 -9.05000 -1.07000 6.67000 -13.03000 1.59000 4.52000 2.70000 0.00000 0.00000 0.00000 0.04000 0.66000 0.00000 -0.50000 0.00000 -0.28000 0.00000 2.38000 67.00000 BUD14_1SEM-29_9.PDB 1.36033 -7.71000 -0.31000 -0.29000 -7.94000 -0.74000 5.86000 -11.58000 1.68000 3.82000 2.51000 0.00000 0.00000 0.00000 0.05000 0.64000 0.00000 -0.57000 0.00000 -0.20000 0.00000 2.38000 67.00000 BUD14_1SEM-29_10.PDB 1.25362 -7.13000 -0.44000 -0.39000 -6.65000 -0.08000 4.44000 -9.95000 0.71000 3.30000 2.20000 0.00000 0.00000 0.00000 0.01000 0.51000 0.00000 -0.24000 0.00000 -0.05000 0.00000 2.38000 67.00000 BUD14_1SEM-29_11.PDB 1.55967 -8.49000 -0.36000 -0.35000 -7.71000 -0.59000 5.43000 -11.40000 0.79000 3.75000 2.34000 0.00000 0.00000 0.00000 0.05000 0.51000 0.00000 -0.39000 0.00000 -0.04000 0.00000 2.38000 67.00000 BUD14_1SEM-29_12.PDB 1.67544 -7.14000 -0.45000 -0.39000 -6.46000 -0.06000 4.03000 -10.14000 1.18000 3.26000 2.04000 0.00000 0.00000 0.00000 0.05000 0.31000 0.00000 -0.16000 0.00000 -0.04000 0.00000 2.38000 67.00000 BUD14_1SEM-29_13.PDB 4.49479 -10.75000 -0.42000 -0.41000 -8.44000 0.03000 4.64000 -13.03000 0.39000 4.31000 2.40000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.19000 0.00000 -0.11000 0.00000 2.38000 67.00000 BUD14_1SEM-29_14.PDB 1.61336 -9.54000 -0.36000 -0.35000 -7.83000 -0.61000 5.32000 -11.96000 0.33000 3.90000 2.44000 0.00000 0.00000 0.00000 0.06000 0.59000 0.00000 -0.39000 0.00000 -0.09000 0.00000 2.38000 67.00000 BUD14_1SEM-29_15.PDB 1.83569 -8.82000 -0.41000 -0.36000 -7.87000 -0.68000 5.91000 -11.91000 0.14000 3.87000 2.72000 0.00000 0.00000 0.00000 0.17000 0.56000 0.00000 -0.29000 0.00000 -0.11000 0.00000 2.38000 67.00000 BUD14_1SEM-29_16.PDB 4.67212 -10.84000 -0.44000 -0.46000 -8.82000 -1.04000 5.97000 -12.93000 0.95000 4.22000 2.37000 0.00000 0.00000 0.00000 0.06000 0.54000 0.00000 -0.44000 0.00000 -0.26000 0.00000 2.38000 67.00000 BUD14_1SEM-29_17.PDB 2.64533 -8.86000 -0.41000 -0.41000 -8.54000 0.04000 4.93000 -12.77000 1.89000 4.21000 2.42000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -0.21000 0.00000 -0.06000 0.00000 2.38000 67.00000 BUD14_1SEM-29_18.PDB 4.12005 -10.66000 -0.42000 -0.44000 -8.75000 -0.93000 5.61000 -13.30000 1.17000 4.41000 2.35000 0.00000 0.00000 0.00000 0.06000 0.51000 0.00000 -0.19000 0.00000 -0.24000 0.00000 2.38000 67.00000 BUD14_1SEM-29_19.PDB 4.09667 -10.20000 -0.37000 -0.36000 -8.60000 -0.79000 5.59000 -13.02000 1.12000 4.37000 2.45000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.48000 0.00000 -0.18000 0.00000 2.38000 67.00000 BUD14_1SEM-29_20.PDB 1.32861 -7.59000 -0.37000 -0.28000 -6.62000 -0.09000 4.53000 -10.25000 0.03000 3.36000 2.39000 0.00000 0.00000 0.00000 0.04000 0.55000 0.00000 -0.23000 0.00000 -0.10000 0.00000 2.38000 67.00000 BUD14_1SEM-29_21.PDB 2.24491 -7.75000 -0.41000 -0.37000 -5.88000 -0.10000 3.44000 -9.16000 0.40000 3.02000 1.57000 0.00000 0.00000 0.00000 0.04000 0.46000 0.00000 -0.21000 0.00000 -0.08000 0.00000 2.38000 67.00000 BUD14_1SEM-29_22.PDB 1.92008 -9.43000 -0.46000 -0.39000 -7.44000 -0.59000 4.83000 -11.44000 0.51000 3.68000 2.06000 0.00000 0.00000 0.00000 0.10000 0.43000 0.00000 -0.20000 0.00000 -0.08000 0.00000 2.38000 67.00000 BUD14_1SEM-29_23.PDB 2.54310 -7.87000 -0.41000 -0.37000 -6.36000 -0.07000 3.87000 -9.87000 0.53000 3.18000 1.81000 0.00000 0.00000 0.00000 0.06000 0.40000 0.00000 -0.17000 0.00000 -0.07000 0.00000 2.38000 67.00000 BUD14_1SEM-29_24.PDB 2.05783 -7.02000 -0.38000 -0.33000 -6.28000 -0.08000 3.98000 -9.82000 0.87000 3.31000 1.98000 0.00000 0.00000 0.00000 0.03000 0.42000 0.00000 -0.21000 0.00000 -0.08000 0.00000 2.38000 67.00000 BUD14_1SEM-29_25.PDB 3.31909 -9.93000 -0.42000 -0.43000 -8.37000 -0.19000 5.13000 -12.67000 0.81000 4.12000 2.41000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.24000 0.00000 -0.11000 0.00000 2.38000 67.00000 BUD14_1SEM-29_26.PDB 3.54830 -10.14000 -0.38000 -0.40000 -8.20000 -0.17000 4.81000 -12.54000 0.67000 4.03000 2.30000 0.00000 0.00000 0.00000 0.02000 0.45000 0.00000 -0.21000 0.00000 -0.09000 0.00000 2.38000 67.00000 BUD14_1SEM-29_27.PDB 3.33534 -10.16000 -0.41000 -0.42000 -8.63000 -0.70000 5.59000 -12.78000 1.17000 4.09000 2.32000 0.00000 0.00000 0.00000 0.03000 0.54000 0.00000 -0.35000 0.00000 -0.08000 0.00000 2.38000 67.00000 BUD14_1SEM-29_28.PDB 4.98778 -9.63000 -0.35000 -0.33000 -8.19000 -0.18000 4.96000 -12.38000 0.71000 4.18000 2.26000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.22000 0.00000 -0.10000 0.00000 2.38000 67.00000 BUD14_1SEM-29_29.PDB 3.46332 -10.14000 -0.40000 -0.39000 -8.09000 -0.12000 4.62000 -12.33000 0.78000 4.02000 2.04000 0.00000 0.00000 0.00000 0.03000 0.50000 0.00000 -0.21000 0.00000 -0.10000 0.00000 2.38000 67.00000 BUD14_1SEM-29_30.PDB 4.97465 -7.57000 -0.47000 -0.47000 -8.38000 -0.08000 4.97000 -12.71000 3.63000 3.98000 2.10000 0.00000 0.00000 0.00000 0.03000 0.62000 0.00000 -0.08000 0.00000 -0.09000 0.00000 2.38000 67.00000