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-16_1.PDB 4.52415 -4.58000 -1.79000 -2.53000 -8.70000 -1.34000 9.24000 -11.60000 3.19000 5.58000 4.48000 0.00000 0.00000 0.00000 0.13000 0.57000 0.00000 -0.77000 0.00000 -0.46000 0.00000 2.38000 66.00000 BUD14_1SEM-16_2.PDB 4.60964 -4.95000 -1.78000 -2.56000 -8.88000 -1.31000 9.45000 -11.84000 2.99000 5.65000 4.59000 0.00000 0.00000 0.00000 0.09000 0.64000 0.00000 -0.90000 0.00000 -0.45000 0.00000 2.38000 66.00000 BUD14_1SEM-16_3.PDB 4.09577 -4.26000 -0.91000 -1.78000 -8.67000 -1.22000 8.77000 -11.64000 2.95000 4.48000 4.76000 0.00000 0.00000 0.00000 0.18000 0.68000 0.00000 -0.69000 0.00000 -0.49000 0.00000 2.38000 66.00000 BUD14_1SEM-16_4.PDB 3.70920 -3.66000 -0.89000 -1.89000 -8.12000 -0.78000 7.65000 -11.28000 3.25000 4.79000 4.54000 0.00000 0.00000 0.00000 0.08000 0.65000 0.00000 -0.70000 0.00000 -0.33000 0.00000 2.38000 66.00000 BUD14_1SEM-16_5.PDB 3.56470 -3.89000 -1.73000 -2.42000 -7.84000 -1.23000 9.28000 -10.12000 2.70000 4.67000 3.79000 0.00000 0.00000 0.00000 0.13000 0.53000 0.00000 -0.78000 0.00000 -0.34000 0.00000 2.38000 66.00000 BUD14_1SEM-16_6.PDB 3.93906 -3.90000 -2.51000 -3.33000 -8.72000 -1.37000 10.32000 -11.07000 3.31000 6.02000 4.75000 0.00000 0.00000 0.00000 0.10000 0.60000 0.00000 -0.93000 0.00000 -0.47000 0.00000 2.38000 66.00000 BUD14_1SEM-16_7.PDB 4.82926 -3.31000 -1.76000 -2.55000 -7.31000 -1.45000 8.90000 -9.11000 2.73000 4.49000 4.01000 0.00000 0.00000 0.00000 0.14000 0.57000 0.00000 -0.92000 0.00000 -0.48000 0.00000 2.38000 66.00000 BUD14_1SEM-16_8.PDB 3.94160 -2.89000 -0.90000 -2.45000 -7.74000 -0.75000 8.31000 -10.22000 2.92000 4.36000 4.47000 0.00000 0.00000 0.00000 0.12000 0.64000 0.00000 -0.72000 0.00000 -0.29000 0.00000 2.38000 66.00000 BUD14_1SEM-16_9.PDB 3.64397 -3.52000 -0.91000 -1.99000 -8.53000 -0.95000 8.46000 -11.50000 2.87000 4.96000 5.00000 0.00000 0.00000 0.00000 0.16000 0.71000 0.00000 -0.64000 0.00000 -0.44000 0.00000 2.38000 66.00000 BUD14_1SEM-16_10.PDB 4.86394 -4.05000 -1.54000 -2.35000 -7.83000 -1.05000 8.77000 -10.14000 2.49000 4.85000 4.01000 0.00000 0.00000 0.00000 0.30000 0.61000 0.00000 -0.71000 0.00000 -0.86000 0.00000 2.38000 66.00000 BUD14_1SEM-16_11.PDB 3.90499 -2.81000 -1.73000 -2.98000 -8.03000 -1.06000 9.25000 -10.44000 2.73000 5.59000 4.66000 0.00000 0.00000 0.00000 0.18000 0.60000 0.00000 -0.65000 0.00000 -0.33000 0.00000 2.38000 66.00000 BUD14_1SEM-16_12.PDB 4.55896 -3.35000 -2.55000 -3.25000 -8.84000 -0.99000 10.22000 -11.34000 3.63000 6.01000 4.97000 0.00000 0.00000 0.00000 0.08000 0.73000 0.00000 -0.90000 0.00000 -0.39000 0.00000 2.38000 66.00000 BUD14_1SEM-16_13.PDB 5.58064 -4.63000 -1.77000 -2.56000 -8.81000 -1.38000 9.35000 -11.60000 3.13000 5.43000 4.35000 0.00000 0.00000 0.00000 0.25000 0.69000 0.00000 -0.57000 0.00000 -0.46000 0.00000 2.38000 66.00000 BUD14_1SEM-16_14.PDB 4.06257 -4.43000 -2.48000 -3.22000 -8.73000 -1.39000 10.28000 -11.05000 2.79000 5.79000 4.86000 0.00000 0.00000 0.00000 0.14000 0.68000 0.00000 -0.94000 0.00000 -0.49000 0.00000 2.38000 66.00000 BUD14_1SEM-16_15.PDB 2.27438 -1.50000 -1.66000 -2.96000 -7.76000 -0.95000 9.30000 -9.89000 3.54000 4.93000 4.99000 0.00000 0.00000 0.00000 0.10000 0.56000 0.00000 -0.66000 0.00000 -0.50000 0.00000 2.38000 66.00000 BUD14_1SEM-16_16.PDB 4.62073 -3.43000 -0.91000 -2.33000 -8.35000 -0.91000 8.24000 -11.51000 2.94000 5.26000 4.70000 0.00000 0.00000 0.00000 0.24000 0.57000 0.00000 -0.45000 0.00000 -0.34000 0.00000 2.38000 66.00000 BUD14_1SEM-16_17.PDB 3.32723 -2.08000 -0.90000 -1.72000 -6.54000 -1.16000 8.41000 -8.41000 2.85000 3.03000 3.54000 0.00000 0.00000 0.00000 0.07000 0.60000 0.00000 -0.78000 0.00000 -0.47000 0.00000 2.38000 66.00000 BUD14_1SEM-16_18.PDB 4.79276 -4.34000 -0.91000 -1.48000 -8.13000 -1.19000 8.17000 -11.13000 3.01000 4.65000 4.41000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -0.78000 0.00000 -1.01000 0.00000 2.38000 66.00000 BUD14_1SEM-16_19.PDB 4.85522 -4.06000 -2.62000 -3.50000 -7.62000 -1.13000 9.41000 -9.49000 2.75000 5.47000 4.08000 0.00000 0.00000 0.00000 0.09000 0.61000 0.00000 -1.11000 0.00000 -0.40000 0.00000 2.38000 66.00000 BUD14_1SEM-16_20.PDB 5.14213 -4.32000 -3.27000 -3.54000 -8.56000 -1.17000 10.17000 -10.83000 2.99000 6.22000 4.80000 0.00000 0.00000 0.00000 0.16000 0.66000 0.00000 -0.86000 0.00000 -0.43000 0.00000 2.38000 66.00000 BUD14_1SEM-16_21.PDB 4.50140 -4.64000 -3.47000 -4.25000 -8.69000 -1.33000 11.03000 -10.91000 2.89000 6.84000 4.55000 0.00000 0.00000 0.00000 0.09000 0.59000 0.00000 -0.87000 0.00000 -0.51000 0.00000 2.38000 66.00000 BUD14_1SEM-16_22.PDB 3.95170 -3.51000 -0.91000 -2.05000 -7.60000 -0.84000 7.87000 -10.13000 2.78000 4.21000 4.50000 0.00000 0.00000 0.00000 0.12000 0.61000 0.00000 -0.69000 0.00000 -0.76000 0.00000 2.38000 66.00000 BUD14_1SEM-16_23.PDB 3.47778 -3.62000 -3.47000 -4.40000 -7.90000 -1.14000 10.63000 -9.66000 2.87000 6.31000 4.21000 0.00000 0.00000 0.00000 0.09000 0.48000 0.00000 -0.84000 0.00000 -0.33000 0.00000 2.38000 66.00000 BUD14_1SEM-16_24.PDB 3.75537 -2.47000 -0.90000 -2.49000 -8.48000 -0.51000 8.47000 -11.57000 3.61000 5.10000 5.02000 0.00000 0.00000 0.00000 0.08000 0.71000 0.00000 -0.54000 0.00000 -0.25000 0.00000 2.38000 66.00000 BUD14_1SEM-16_25.PDB 4.86524 -5.23000 -2.66000 -3.36000 -8.48000 -1.56000 10.32000 -10.41000 2.70000 5.85000 4.19000 0.00000 0.00000 0.00000 0.16000 0.64000 0.00000 -0.98000 0.00000 -1.01000 0.00000 2.38000 66.00000 BUD14_1SEM-16_26.PDB 3.83454 -4.03000 -0.90000 -2.31000 -8.18000 -1.10000 8.38000 -11.06000 2.71000 5.04000 4.73000 0.00000 0.00000 0.00000 0.09000 0.53000 0.00000 -0.54000 0.00000 -0.89000 0.00000 2.38000 66.00000 BUD14_1SEM-16_27.PDB 3.83303 -4.04000 -1.41000 -2.86000 -7.89000 -0.57000 8.29000 -10.47000 1.95000 4.86000 5.09000 0.00000 0.00000 0.00000 0.09000 0.51000 0.00000 -0.81000 0.00000 -0.31000 0.00000 2.38000 66.00000 BUD14_1SEM-16_28.PDB 3.98542 -3.67000 -2.95000 -3.84000 -8.61000 -1.06000 10.85000 -10.50000 3.04000 5.45000 4.70000 0.00000 0.00000 0.00000 0.14000 0.71000 0.00000 -0.53000 0.00000 -0.37000 0.00000 2.38000 66.00000 BUD14_1SEM-16_29.PDB 4.24784 -2.74000 -0.89000 -2.36000 -8.37000 -0.95000 8.75000 -11.18000 3.37000 4.97000 4.86000 0.00000 0.00000 0.00000 0.13000 0.65000 0.00000 -0.71000 0.00000 -0.34000 0.00000 2.38000 66.00000 BUD14_1SEM-16_30.PDB 4.74799 -3.94000 -0.92000 -1.69000 -8.35000 -1.43000 8.60000 -11.37000 3.31000 4.48000 4.48000 0.00000 0.00000 0.00000 0.18000 0.70000 0.00000 -0.68000 0.00000 -0.55000 0.00000 2.38000 66.00000