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-27_1.PDB 6.33676 -8.40000 -2.59000 -2.54000 -8.70000 -2.41000 9.26000 -10.80000 1.74000 7.35000 2.81000 0.00000 0.00000 0.00000 0.51000 0.91000 0.00000 -0.68000 0.00000 -2.35000 0.00000 2.38000 66.00000 BUD14_1SEM-27_2.PDB 4.50928 -8.49000 -3.82000 -3.74000 -10.17000 -3.74000 12.12000 -12.04000 3.65000 9.23000 3.07000 0.00000 0.00000 0.00000 0.18000 1.22000 0.00000 -0.85000 0.00000 -2.37000 0.00000 2.38000 66.00000 BUD14_1SEM-27_3.PDB 4.55500 -9.38000 -4.18000 -4.28000 -10.93000 -3.44000 13.59000 -12.40000 3.07000 9.45000 3.26000 0.00000 0.00000 0.00000 0.14000 1.57000 0.00000 -0.87000 0.00000 -2.80000 0.00000 2.38000 66.00000 BUD14_1SEM-27_4.PDB 4.69246 -9.18000 -3.95000 -4.27000 -9.68000 -2.90000 11.49000 -11.50000 2.16000 9.06000 3.28000 0.00000 0.00000 0.00000 0.19000 1.26000 0.00000 -0.83000 0.00000 -2.23000 0.00000 2.38000 66.00000 BUD14_1SEM-27_5.PDB 3.34641 -8.87000 -2.56000 -2.96000 -8.91000 -2.09000 9.70000 -10.97000 1.73000 7.63000 2.51000 0.00000 0.00000 0.00000 0.17000 0.97000 0.00000 -1.11000 0.00000 -1.99000 0.00000 2.38000 66.00000 BUD14_1SEM-27_6.PDB 5.64659 -9.49000 -3.42000 -3.27000 -9.46000 -3.06000 11.00000 -11.31000 0.62000 8.84000 3.04000 0.00000 0.00000 0.00000 0.88000 1.00000 0.00000 -1.25000 0.00000 -2.11000 0.00000 2.38000 66.00000 BUD14_1SEM-27_7.PDB 5.69462 -11.52000 -4.11000 -4.11000 -10.12000 -3.12000 12.75000 -12.15000 0.64000 8.31000 3.21000 0.00000 0.00000 0.00000 0.41000 1.15000 0.00000 -0.64000 0.00000 -2.59000 0.00000 2.38000 66.00000 BUD14_1SEM-27_8.PDB 5.11159 -8.95000 -2.70000 -2.62000 -8.93000 -2.11000 9.18000 -10.95000 1.30000 7.39000 2.46000 0.00000 0.00000 0.00000 0.41000 0.88000 0.00000 -0.43000 0.00000 -1.95000 0.00000 2.38000 66.00000 BUD14_1SEM-27_9.PDB 5.39155 -9.08000 -3.62000 -3.47000 -10.07000 -3.32000 12.52000 -11.62000 2.79000 8.33000 2.96000 0.00000 0.00000 0.00000 0.22000 1.41000 0.00000 -1.08000 0.00000 -2.73000 0.00000 2.38000 66.00000 BUD14_1SEM-27_10.PDB 6.35293 -9.04000 -2.65000 -2.58000 -8.80000 -3.27000 9.93000 -10.71000 0.64000 7.54000 2.64000 0.00000 0.00000 0.00000 1.04000 0.86000 0.00000 -0.68000 0.00000 -2.16000 0.00000 2.38000 66.00000 BUD14_1SEM-27_11.PDB 5.02411 -7.92000 -2.59000 -3.27000 -9.48000 -2.79000 11.49000 -11.62000 2.56000 6.92000 3.03000 0.00000 0.00000 0.00000 0.64000 1.11000 0.00000 -0.70000 0.00000 -2.10000 0.00000 2.38000 66.00000 BUD14_1SEM-27_12.PDB 6.15217 -8.55000 -3.83000 -3.72000 -9.33000 -2.30000 11.12000 -11.09000 2.01000 7.98000 3.12000 0.00000 0.00000 0.00000 0.59000 1.07000 0.00000 -0.94000 0.00000 -2.15000 0.00000 2.38000 66.00000 BUD14_1SEM-27_13.PDB 2.80875 -9.68000 -2.64000 -3.29000 -9.06000 -3.19000 10.33000 -10.99000 1.96000 7.81000 2.44000 0.00000 0.00000 0.00000 0.19000 0.94000 0.00000 -0.93000 0.00000 -2.31000 0.00000 2.38000 66.00000 BUD14_1SEM-27_14.PDB 4.65163 -8.29000 -2.92000 -3.29000 -9.67000 -2.62000 10.17000 -12.05000 4.02000 7.64000 3.32000 0.00000 0.00000 0.00000 0.43000 1.13000 0.00000 -1.11000 0.00000 -2.21000 0.00000 2.38000 66.00000 BUD14_1SEM-27_15.PDB 4.97847 -9.73000 -4.08000 -4.09000 -9.66000 -2.19000 12.24000 -11.54000 1.36000 7.77000 3.05000 0.00000 0.00000 0.00000 0.48000 1.27000 0.00000 -1.04000 0.00000 -2.03000 0.00000 2.38000 66.00000 BUD14_1SEM-27_16.PDB 4.56837 -8.65000 -2.69000 -2.62000 -8.94000 -2.34000 9.78000 -11.03000 1.80000 7.30000 2.79000 0.00000 0.00000 0.00000 0.22000 0.88000 0.00000 -0.71000 0.00000 -2.21000 0.00000 2.38000 66.00000 BUD14_1SEM-27_17.PDB 3.43536 -7.65000 -3.66000 -4.57000 -10.65000 -3.65000 12.57000 -12.47000 6.21000 7.96000 3.28000 0.00000 0.00000 0.00000 0.22000 1.35000 0.00000 -0.63000 0.00000 -2.26000 0.00000 2.38000 66.00000 BUD14_1SEM-27_18.PDB 5.10708 -8.70000 -2.60000 -4.67000 -8.51000 -2.90000 9.90000 -10.04000 1.09000 8.29000 2.94000 0.00000 0.00000 0.00000 0.81000 0.86000 0.00000 -1.03000 0.00000 -1.99000 0.00000 2.38000 66.00000 BUD14_1SEM-27_19.PDB 4.77299 -6.84000 -3.17000 -3.30000 -9.39000 -2.47000 10.69000 -11.35000 3.70000 7.79000 3.29000 0.00000 0.00000 0.00000 0.27000 1.30000 0.00000 -0.74000 0.00000 -2.15000 0.00000 2.38000 66.00000 BUD14_1SEM-27_20.PDB 5.04120 -8.74000 -4.29000 -4.35000 -10.53000 -3.10000 13.09000 -12.76000 4.54000 8.68000 3.19000 0.00000 0.00000 0.00000 0.27000 1.24000 0.00000 -0.96000 0.00000 -2.53000 0.00000 2.38000 66.00000 BUD14_1SEM-27_21.PDB 4.48592 -8.34000 -2.63000 -2.58000 -8.70000 -2.07000 9.35000 -10.86000 1.65000 7.24000 2.76000 0.00000 0.00000 0.00000 0.20000 0.84000 0.00000 -0.88000 0.00000 -1.81000 0.00000 2.38000 66.00000 BUD14_1SEM-27_22.PDB 5.06638 -9.36000 -3.28000 -4.36000 -10.39000 -3.53000 11.92000 -12.55000 3.54000 9.16000 3.38000 0.00000 0.00000 0.00000 0.14000 1.21000 0.00000 -1.15000 0.00000 -2.22000 0.00000 2.38000 66.00000 BUD14_1SEM-27_23.PDB 3.56529 -6.21000 -2.65000 -4.32000 -8.33000 -1.94000 9.77000 -9.82000 2.31000 8.00000 2.73000 0.00000 0.00000 0.00000 0.44000 0.85000 0.00000 -0.48000 0.00000 -1.93000 0.00000 2.38000 66.00000 BUD14_1SEM-27_24.PDB 4.39443 -9.29000 -3.74000 -3.63000 -9.44000 -3.32000 11.59000 -11.21000 1.98000 8.58000 2.83000 0.00000 0.00000 0.00000 0.23000 1.15000 0.00000 -0.57000 0.00000 -2.60000 0.00000 2.38000 66.00000 BUD14_1SEM-27_25.PDB 4.28959 -8.38000 -4.20000 -4.85000 -10.18000 -2.43000 13.05000 -12.20000 2.87000 8.26000 3.01000 0.00000 0.00000 0.00000 0.70000 1.41000 0.00000 -0.52000 0.00000 -1.90000 0.00000 2.38000 66.00000 BUD14_1SEM-27_26.PDB 5.62283 -10.32000 -3.71000 -3.74000 -9.88000 -2.64000 12.40000 -11.81000 0.73000 7.98000 2.91000 0.00000 0.00000 0.00000 0.36000 1.24000 0.00000 -0.59000 0.00000 -2.33000 0.00000 2.38000 66.00000 BUD14_1SEM-27_27.PDB 3.80604 -8.09000 -2.68000 -2.64000 -8.77000 -2.07000 9.60000 -10.95000 1.81000 7.62000 2.56000 0.00000 0.00000 0.00000 0.19000 1.01000 0.00000 -0.88000 0.00000 -1.89000 0.00000 2.38000 66.00000 BUD14_1SEM-27_28.PDB 4.91872 -5.11000 -2.60000 -4.44000 -10.05000 -2.77000 12.21000 -11.36000 5.00000 9.21000 3.07000 0.00000 0.00000 0.00000 0.22000 1.39000 0.00000 -1.12000 0.00000 -2.49000 0.00000 2.38000 66.00000 BUD14_1SEM-27_29.PDB 5.08759 -9.08000 -2.90000 -2.87000 -9.22000 -3.12000 10.47000 -11.41000 1.35000 7.60000 2.79000 0.00000 0.00000 0.00000 1.10000 0.90000 0.00000 -0.45000 0.00000 -2.40000 0.00000 2.38000 66.00000 BUD14_1SEM-27_30.PDB 4.99159 -9.09000 -2.99000 -3.67000 -9.52000 -2.95000 11.73000 -11.64000 1.83000 7.04000 3.03000 0.00000 0.00000 0.00000 0.81000 0.98000 0.00000 -0.51000 0.00000 -2.25000 0.00000 2.38000 66.00000