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-5_1.PDB 5.48864 -9.29000 -1.55000 -1.37000 -11.76000 -1.47000 10.03000 -16.32000 5.60000 5.76000 2.96000 0.00000 0.00000 0.00000 0.59000 1.80000 0.00000 -0.52000 0.00000 -1.25000 0.00000 2.38000 67.00000 BUD14_1SEM-5_2.PDB 6.13749 -4.96000 -1.73000 -1.63000 -12.23000 -1.43000 11.44000 -16.48000 7.83000 6.08000 4.27000 0.00000 0.00000 0.00000 0.79000 1.87000 0.00000 -0.70000 0.00000 -1.15000 0.00000 2.38000 67.00000 BUD14_1SEM-5_3.PDB 5.88836 -8.57000 -2.29000 -2.07000 -11.91000 -2.33000 11.22000 -16.13000 6.43000 6.01000 3.84000 0.00000 0.00000 0.00000 0.58000 1.94000 0.00000 -0.46000 0.00000 -1.45000 0.00000 2.38000 67.00000 BUD14_1SEM-5_4.PDB 5.24690 -4.73000 -2.52000 -2.32000 -12.34000 -2.20000 12.39000 -16.42000 8.93000 6.36000 4.84000 0.00000 0.00000 0.00000 0.75000 1.94000 0.00000 -0.76000 0.00000 -1.44000 0.00000 2.38000 67.00000 BUD14_1SEM-5_5.PDB 6.75682 -4.68000 -1.48000 -1.34000 -11.99000 -1.42000 11.31000 -16.14000 7.85000 5.83000 3.85000 0.00000 0.00000 0.00000 0.70000 1.87000 0.00000 -0.64000 0.00000 -1.22000 0.00000 2.38000 67.00000 BUD14_1SEM-5_6.PDB 5.80844 -4.69000 -1.68000 -2.38000 -12.21000 -1.77000 11.68000 -16.42000 8.45000 6.71000 4.48000 0.00000 0.00000 0.00000 0.76000 1.85000 0.00000 -0.72000 0.00000 -1.60000 0.00000 2.38000 67.00000 BUD14_1SEM-5_7.PDB 5.08761 -9.66000 -2.29000 -2.87000 -12.39000 -2.55000 11.30000 -16.99000 6.89000 6.89000 4.18000 0.00000 0.00000 0.00000 0.51000 1.83000 0.00000 -0.66000 0.00000 -1.68000 0.00000 2.38000 67.00000 BUD14_1SEM-5_8.PDB 5.93665 -9.69000 -1.49000 -1.38000 -12.22000 -1.43000 10.36000 -17.09000 5.53000 6.02000 3.28000 0.00000 0.00000 0.00000 0.61000 1.87000 0.00000 -0.63000 0.00000 -1.25000 0.00000 2.38000 67.00000 BUD14_1SEM-5_9.PDB 6.63303 -7.42000 -1.35000 -1.24000 -11.83000 -1.50000 10.20000 -16.40000 6.77000 5.90000 3.44000 0.00000 0.00000 0.00000 0.50000 1.93000 0.00000 -0.70000 0.00000 -1.20000 0.00000 2.38000 67.00000 BUD14_1SEM-5_10.PDB 5.57062 -3.28000 -1.65000 -2.40000 -11.04000 -2.09000 10.40000 -14.81000 10.36000 6.16000 3.49000 0.00000 0.00000 0.00000 0.45000 1.50000 0.00000 -0.46000 0.00000 -1.69000 0.00000 2.38000 67.00000 BUD14_1SEM-5_11.PDB 7.01224 -5.48000 -1.67000 -1.61000 -11.35000 -2.15000 11.04000 -15.16000 7.83000 5.80000 3.52000 0.00000 0.00000 0.00000 0.65000 1.67000 0.00000 -0.57000 0.00000 -1.80000 0.00000 2.38000 67.00000 BUD14_1SEM-5_12.PDB 5.33718 -3.74000 -2.15000 -2.01000 -11.90000 -2.33000 11.95000 -15.80000 9.93000 6.06000 4.28000 0.00000 0.00000 0.00000 0.71000 1.96000 0.00000 -1.03000 0.00000 -1.45000 0.00000 2.38000 67.00000 BUD14_1SEM-5_13.PDB 6.35685 -6.74000 -2.43000 -3.03000 -12.37000 -2.48000 12.21000 -16.47000 8.09000 6.89000 4.74000 0.00000 0.00000 0.00000 0.76000 1.98000 0.00000 -0.99000 0.00000 -1.67000 0.00000 2.38000 67.00000 BUD14_1SEM-5_14.PDB 5.73417 -7.51000 -1.49000 -1.33000 -11.48000 -1.36000 9.89000 -15.92000 6.38000 5.88000 3.13000 0.00000 0.00000 0.00000 0.50000 1.80000 0.00000 -0.56000 0.00000 -1.14000 0.00000 2.38000 67.00000 BUD14_1SEM-5_15.PDB 5.10694 -1.63000 -1.40000 -1.33000 -12.01000 -1.26000 11.19000 -16.20000 10.63000 6.04000 3.83000 0.00000 0.00000 0.00000 0.54000 1.83000 0.00000 -0.45000 0.00000 -1.21000 0.00000 2.38000 67.00000 BUD14_1SEM-5_16.PDB 5.30856 -8.97000 -1.57000 -2.11000 -11.90000 -1.82000 10.61000 -16.49000 5.57000 6.56000 3.70000 0.00000 0.00000 0.00000 0.55000 1.80000 0.00000 -0.44000 0.00000 -1.61000 0.00000 2.38000 67.00000 BUD14_1SEM-5_17.PDB 6.08497 -3.45000 -1.71000 -1.64000 -11.89000 -1.39000 11.19000 -15.98000 9.15000 5.93000 3.97000 0.00000 0.00000 0.00000 0.70000 1.84000 0.00000 -0.62000 0.00000 -1.16000 0.00000 2.38000 67.00000 BUD14_1SEM-5_18.PDB 5.85075 -5.46000 -1.72000 -2.35000 -11.97000 -1.66000 11.31000 -16.18000 7.87000 6.35000 4.28000 0.00000 0.00000 0.00000 0.68000 1.79000 0.00000 -0.70000 0.00000 -1.39000 0.00000 2.38000 67.00000 BUD14_1SEM-5_19.PDB 5.85019 -6.17000 -2.48000 -2.34000 -11.77000 -2.75000 11.98000 -15.52000 8.00000 6.20000 4.28000 0.00000 0.00000 0.00000 0.85000 1.78000 0.00000 -0.76000 0.00000 -1.87000 0.00000 2.38000 67.00000 BUD14_1SEM-5_20.PDB 6.07942 -9.19000 -1.47000 -1.36000 -12.10000 -1.46000 10.30000 -16.92000 5.39000 6.02000 3.42000 0.00000 0.00000 0.00000 0.62000 1.82000 0.00000 -0.46000 0.00000 -1.17000 0.00000 2.38000 67.00000 BUD14_1SEM-5_21.PDB 5.56805 -9.94000 -2.18000 -2.05000 -12.31000 -2.34000 11.23000 -17.00000 5.81000 6.41000 4.06000 0.00000 0.00000 0.00000 0.59000 1.88000 0.00000 -0.61000 0.00000 -1.54000 0.00000 2.38000 67.00000 BUD14_1SEM-5_22.PDB 5.52142 -9.02000 -1.53000 -2.19000 -10.99000 -2.03000 9.79000 -15.13000 5.53000 6.07000 2.91000 0.00000 0.00000 0.00000 0.58000 1.60000 0.00000 -0.41000 0.00000 -1.62000 0.00000 2.38000 67.00000 BUD14_1SEM-5_23.PDB 5.98299 -5.22000 -2.48000 -3.94000 -11.64000 -3.30000 13.03000 -15.23000 10.03000 6.64000 4.28000 0.00000 0.00000 0.00000 0.64000 1.73000 0.00000 -0.86000 0.00000 -2.39000 0.00000 2.38000 67.00000 BUD14_1SEM-5_24.PDB 6.11189 -5.46000 -1.71000 -1.64000 -11.35000 -2.16000 11.13000 -15.15000 7.35000 6.00000 3.72000 0.00000 0.00000 0.00000 0.66000 1.57000 0.00000 -0.47000 0.00000 -1.83000 0.00000 2.38000 67.00000 BUD14_1SEM-5_25.PDB 6.05629 -5.09000 -1.67000 -3.12000 -11.44000 -2.36000 11.11000 -15.33000 9.09000 6.65000 3.82000 0.00000 0.00000 0.00000 0.71000 1.62000 0.00000 -0.61000 0.00000 -1.94000 0.00000 2.38000 67.00000 BUD14_1SEM-5_26.PDB 5.22502 -2.42000 -1.37000 -2.98000 -11.03000 -1.27000 10.60000 -14.87000 10.11000 6.16000 3.37000 0.00000 0.00000 0.00000 0.55000 1.62000 0.00000 -0.51000 0.00000 -1.17000 0.00000 2.38000 67.00000 BUD14_1SEM-5_27.PDB 5.64604 -3.66000 -1.69000 -3.31000 -11.13000 -1.41000 10.53000 -14.94000 9.81000 6.37000 3.44000 0.00000 0.00000 0.00000 0.57000 1.64000 0.00000 -0.73000 0.00000 -1.17000 0.00000 2.38000 67.00000 BUD14_1SEM-5_28.PDB 5.71422 -3.85000 -1.45000 -1.33000 -11.91000 -1.28000 11.16000 -16.06000 8.24000 5.96000 3.83000 0.00000 0.00000 0.00000 0.65000 1.80000 0.00000 -0.51000 0.00000 -1.14000 0.00000 2.38000 67.00000 BUD14_1SEM-5_29.PDB 6.74398 -5.81000 -1.77000 -2.49000 -11.94000 -2.01000 11.51000 -16.14000 8.63000 6.19000 3.68000 0.00000 0.00000 0.00000 0.71000 1.66000 0.00000 -0.48000 0.00000 -1.69000 0.00000 2.38000 67.00000 BUD14_1SEM-5_30.PDB 6.05459 -8.22000 -1.46000 -1.99000 -11.39000 -1.70000 10.06000 -15.70000 5.99000 5.93000 3.33000 0.00000 0.00000 0.00000 0.62000 1.90000 0.00000 -0.50000 0.00000 -1.41000 0.00000 2.38000 67.00000