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-7_1.PDB 3.62369 -10.56000 -1.01000 -0.89000 -8.22000 -0.27000 5.62000 -12.28000 0.46000 4.19000 2.33000 0.00000 0.00000 0.00000 0.10000 0.64000 0.00000 -0.35000 0.00000 -0.25000 0.00000 2.38000 65.00000 BUD14_1SEM-7_2.PDB 4.01612 -9.45000 -1.01000 -0.90000 -8.17000 -0.65000 6.11000 -12.07000 0.89000 4.24000 2.77000 0.00000 0.00000 0.00000 0.12000 0.64000 0.00000 -0.42000 0.00000 -0.35000 0.00000 2.38000 65.00000 BUD14_1SEM-7_3.PDB 4.41327 -9.84000 -0.46000 -0.35000 -8.25000 -0.29000 5.21000 -12.34000 0.65000 4.10000 2.27000 0.00000 0.00000 0.00000 0.15000 0.60000 0.00000 -0.36000 0.00000 -0.16000 0.00000 2.38000 65.00000 BUD14_1SEM-7_4.PDB 2.45029 -9.43000 -1.01000 -0.90000 -7.77000 -0.03000 5.54000 -11.66000 0.53000 3.77000 2.44000 0.00000 0.00000 0.00000 0.10000 0.63000 0.00000 -0.37000 0.00000 -0.07000 0.00000 2.38000 65.00000 BUD14_1SEM-7_5.PDB 4.30641 -9.52000 -0.47000 -0.34000 -8.42000 -0.52000 5.69000 -12.43000 0.79000 4.26000 2.31000 0.00000 0.00000 0.00000 0.12000 0.58000 0.00000 -0.37000 0.00000 -0.13000 0.00000 2.38000 65.00000 BUD14_1SEM-7_6.PDB 4.12103 -10.25000 -0.92000 -0.81000 -8.64000 -0.22000 6.08000 -12.92000 0.69000 4.07000 2.67000 0.00000 0.00000 0.00000 0.17000 0.60000 0.00000 -0.33000 0.00000 -0.09000 0.00000 2.38000 65.00000 BUD14_1SEM-7_7.PDB 3.62505 -10.36000 -0.93000 -0.81000 -8.33000 -0.17000 5.87000 -12.41000 0.52000 3.81000 2.46000 0.00000 0.00000 0.00000 0.08000 0.67000 0.00000 -0.43000 0.00000 -0.03000 0.00000 2.38000 65.00000 BUD14_1SEM-7_8.PDB 3.63018 -10.41000 -0.94000 -0.82000 -8.41000 -0.19000 5.93000 -12.59000 0.59000 4.00000 2.42000 0.00000 0.00000 0.00000 0.12000 0.62000 0.00000 -0.38000 0.00000 -0.15000 0.00000 2.38000 65.00000 BUD14_1SEM-7_9.PDB 3.07153 -9.25000 -0.94000 -0.84000 -8.13000 -0.70000 6.56000 -11.77000 0.39000 4.16000 2.86000 0.00000 0.00000 0.00000 0.09000 0.64000 0.00000 -0.51000 0.00000 -0.42000 0.00000 2.38000 65.00000 BUD14_1SEM-7_10.PDB 3.43452 -9.69000 -1.01000 -0.89000 -8.22000 -0.25000 5.77000 -12.22000 0.75000 4.32000 2.56000 0.00000 0.00000 0.00000 0.09000 0.68000 0.00000 -0.42000 0.00000 -0.18000 0.00000 2.38000 65.00000 BUD14_1SEM-7_11.PDB 3.38463 -9.78000 -0.53000 -0.40000 -8.06000 -0.11000 5.02000 -12.01000 0.67000 3.99000 2.08000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.44000 0.00000 -0.08000 0.00000 2.38000 65.00000 BUD14_1SEM-7_12.PDB 2.94763 -8.56000 -1.01000 -0.89000 -7.37000 -0.38000 5.58000 -10.85000 0.61000 3.72000 2.56000 0.00000 0.00000 0.00000 0.08000 0.69000 0.00000 -0.21000 0.00000 -0.37000 0.00000 2.38000 65.00000 BUD14_1SEM-7_13.PDB 3.65322 -10.48000 -0.95000 -0.83000 -8.26000 -0.09000 5.61000 -12.36000 0.46000 3.77000 2.39000 0.00000 0.00000 0.00000 0.13000 0.66000 0.00000 -0.39000 0.00000 0.05000 0.00000 2.38000 65.00000 BUD14_1SEM-7_14.PDB 3.33141 -10.33000 -1.01000 -0.91000 -7.50000 -0.30000 5.15000 -11.34000 0.60000 3.51000 2.12000 0.00000 0.00000 0.00000 0.04000 0.63000 0.00000 -0.24000 0.00000 -0.44000 0.00000 2.38000 65.00000 BUD14_1SEM-7_15.PDB 3.49382 -10.15000 -0.99000 -0.86000 -8.63000 -0.55000 6.53000 -12.50000 0.52000 4.46000 2.70000 0.00000 0.00000 0.00000 0.09000 0.63000 0.00000 -0.38000 0.00000 -0.53000 0.00000 2.38000 65.00000 BUD14_1SEM-7_16.PDB 3.58767 -9.91000 -1.01000 -0.89000 -8.00000 -0.23000 5.79000 -11.76000 0.45000 3.94000 2.36000 0.00000 0.00000 0.00000 0.12000 0.62000 0.00000 -0.39000 0.00000 -0.28000 0.00000 2.38000 65.00000 BUD14_1SEM-7_17.PDB 3.52688 -10.19000 -0.98000 -0.90000 -7.57000 -0.42000 5.09000 -11.51000 0.91000 3.65000 2.30000 0.00000 0.00000 0.00000 0.04000 0.61000 0.00000 -0.19000 0.00000 -0.63000 0.00000 2.38000 65.00000 BUD14_1SEM-7_18.PDB 3.38573 -9.88000 -0.48000 -0.37000 -8.16000 -0.58000 5.41000 -12.13000 0.69000 4.36000 2.16000 0.00000 0.00000 0.00000 0.12000 0.68000 0.00000 -0.43000 0.00000 -0.47000 0.00000 2.38000 65.00000 BUD14_1SEM-7_19.PDB 3.46102 -9.24000 -0.53000 -0.41000 -7.97000 -0.68000 5.32000 -11.86000 1.09000 4.41000 2.18000 0.00000 0.00000 0.00000 0.09000 0.69000 0.00000 -0.38000 0.00000 -0.50000 0.00000 2.38000 65.00000 BUD14_1SEM-7_20.PDB 3.73522 -9.49000 -0.92000 -0.80000 -8.36000 -0.38000 6.02000 -12.32000 0.88000 4.03000 2.75000 0.00000 0.00000 0.00000 0.08000 0.66000 0.00000 -0.22000 0.00000 -0.23000 0.00000 2.38000 65.00000 BUD14_1SEM-7_21.PDB 3.55488 -8.51000 -0.52000 -0.39000 -7.98000 -0.23000 5.31000 -11.78000 1.04000 3.92000 2.52000 0.00000 0.00000 0.00000 0.07000 0.64000 0.00000 -0.22000 0.00000 -0.26000 0.00000 2.38000 65.00000 BUD14_1SEM-7_22.PDB 2.85647 -8.19000 -0.99000 -0.88000 -7.86000 0.19000 5.41000 -11.80000 1.25000 3.80000 2.70000 0.00000 0.00000 0.00000 0.21000 0.61000 0.00000 -0.36000 0.00000 0.15000 0.00000 2.38000 65.00000 BUD14_1SEM-7_23.PDB 3.31575 -8.63000 -0.49000 -0.36000 -8.45000 -0.31000 5.81000 -12.42000 1.51000 4.21000 2.21000 0.00000 0.00000 0.00000 0.12000 0.71000 0.00000 -0.41000 0.00000 -0.04000 0.00000 2.38000 65.00000 BUD14_1SEM-7_24.PDB 3.22740 -9.92000 -0.50000 -0.39000 -7.43000 -0.00000 4.30000 -11.38000 0.51000 3.39000 1.92000 0.00000 0.00000 0.00000 0.03000 0.63000 0.00000 -0.23000 0.00000 -0.14000 0.00000 2.38000 65.00000 BUD14_1SEM-7_25.PDB 2.55905 -10.19000 -0.99000 -0.90000 -8.17000 -0.12000 5.42000 -12.23000 1.20000 3.79000 2.23000 0.00000 0.00000 0.00000 0.10000 0.66000 0.00000 -0.39000 0.00000 -0.13000 0.00000 2.38000 65.00000 BUD14_1SEM-7_26.PDB 3.10554 -10.03000 -1.01000 -0.89000 -7.97000 -0.21000 5.66000 -11.82000 0.46000 4.10000 2.22000 0.00000 0.00000 0.00000 0.11000 0.68000 0.00000 -0.40000 0.00000 -0.28000 0.00000 2.38000 65.00000 BUD14_1SEM-7_27.PDB 3.40064 -9.47000 -0.46000 -1.11000 -8.88000 -0.60000 6.22000 -12.81000 1.25000 4.83000 2.73000 0.00000 0.00000 0.00000 0.10000 0.71000 0.00000 -0.41000 0.00000 -0.33000 0.00000 2.38000 65.00000 BUD14_1SEM-7_28.PDB 3.63247 -10.56000 -0.99000 -0.86000 -8.53000 -0.47000 6.34000 -12.51000 0.49000 4.16000 2.52000 0.00000 0.00000 0.00000 0.13000 0.65000 0.00000 -0.49000 0.00000 -0.35000 0.00000 2.38000 65.00000 BUD14_1SEM-7_29.PDB 3.46842 -10.15000 -0.99000 -0.89000 -7.67000 -0.15000 5.03000 -11.74000 0.70000 3.64000 2.42000 0.00000 0.00000 0.00000 0.04000 0.65000 0.00000 -0.23000 0.00000 -0.33000 0.00000 2.38000 65.00000 BUD14_1SEM-7_30.PDB 4.36742 -9.14000 -0.94000 -0.83000 -8.20000 -0.40000 6.28000 -11.95000 0.48000 4.10000 2.61000 0.00000 0.00000 0.00000 0.19000 0.58000 0.00000 -0.21000 0.00000 -0.27000 0.00000 2.38000 65.00000