name total energy Backbone Hbon 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-23_1.PDB 13.39000 -37.97000 -11.64000 -65.07000 -3.06000 79.12000 -85.04000 10.12000 35.54000 91.12000 0.00000 0.00000 0.00000 3.08000 18.57000 0.00000 -1.68000 0.00000 -1.12000 0.00000 0.00000 64.00000 BUD14_1SEM-23_2.PDB 13.23000 -37.50000 -11.21000 -65.34000 -2.87000 78.73000 -85.45000 9.90000 35.48000 91.34000 0.00000 0.00000 0.00000 2.90000 18.58000 0.00000 -1.65000 0.00000 -1.10000 0.00000 0.00000 64.00000 BUD14_1SEM-23_3.PDB 15.01000 -37.44000 -10.27000 -64.55000 -2.40000 77.47000 -84.71000 10.71000 34.52000 91.06000 0.00000 0.00000 0.00000 2.86000 18.46000 0.00000 -1.59000 0.00000 -0.65000 0.00000 0.00000 64.00000 BUD14_1SEM-23_4.PDB 14.55000 -36.97000 -9.97000 -64.71000 -2.94000 78.28000 -84.99000 11.09000 34.18000 91.55000 0.00000 0.00000 0.00000 2.20000 18.51000 0.00000 -1.98000 0.00000 -1.17000 0.00000 0.00000 64.00000 BUD14_1SEM-23_5.PDB 14.06000 -37.90000 -10.76000 -65.15000 -2.52000 78.48000 -85.45000 10.27000 34.88000 91.43000 0.00000 0.00000 0.00000 3.10000 18.51000 0.00000 -1.72000 0.00000 -0.60000 0.00000 0.00000 64.00000 BUD14_1SEM-23_6.PDB 14.86000 -38.64000 -12.31000 -65.46000 -3.03000 79.95000 -85.32000 10.61000 36.49000 92.31000 0.00000 0.00000 0.00000 3.14000 18.47000 0.00000 -1.78000 0.00000 -1.10000 0.00000 0.00000 64.00000 BUD14_1SEM-23_7.PDB 14.59000 -37.77000 -10.64000 -64.54000 -2.35000 78.12000 -84.65000 11.06000 34.54000 91.41000 0.00000 0.00000 0.00000 2.00000 18.65000 0.00000 -1.87000 0.00000 -0.73000 0.00000 0.00000 64.00000 BUD14_1SEM-23_8.PDB 13.80000 -37.83000 -11.39000 -65.48000 -2.69000 78.94000 -85.85000 9.74000 35.26000 92.62000 0.00000 0.00000 0.00000 3.46000 18.63000 0.00000 -1.91000 0.00000 -1.06000 0.00000 0.00000 64.00000 BUD14_1SEM-23_9.PDB 16.03000 -36.73000 -9.58000 -63.70000 -2.59000 77.17000 -83.86000 11.12000 33.59000 91.10000 0.00000 0.00000 0.00000 2.15000 18.49000 0.00000 -1.78000 0.00000 -0.85000 0.00000 0.00000 64.00000 BUD14_1SEM-23_10.PDB 14.12000 -37.81000 -10.67000 -65.27000 -2.37000 78.44000 -85.70000 9.98000 34.77000 91.29000 0.00000 0.00000 0.00000 3.66000 18.55000 0.00000 -1.67000 0.00000 -0.53000 0.00000 0.00000 64.00000 BUD14_1SEM-23_11.PDB 13.72000 -37.88000 -10.74000 -65.12000 -2.25000 78.31000 -85.46000 10.22000 34.68000 91.64000 0.00000 0.00000 0.00000 2.70000 18.62000 0.00000 -1.81000 0.00000 -0.56000 0.00000 0.00000 64.00000 BUD14_1SEM-23_12.PDB 14.17000 -38.50000 -12.04000 -65.44000 -3.18000 79.61000 -85.33000 10.20000 36.66000 92.08000 0.00000 0.00000 0.00000 3.36000 18.68000 0.00000 -1.95000 0.00000 -1.30000 0.00000 0.00000 64.00000 BUD14_1SEM-23_13.PDB 13.66000 -38.72000 -12.47000 -65.70000 -3.15000 80.23000 -85.76000 10.79000 36.22000 92.19000 0.00000 0.00000 0.00000 2.94000 18.61000 0.00000 -1.69000 0.00000 -1.23000 0.00000 0.00000 64.00000 BUD14_1SEM-23_14.PDB 14.71000 -37.83000 -10.69000 -65.02000 -2.54000 78.24000 -85.37000 11.10000 34.93000 92.24000 0.00000 0.00000 0.00000 2.22000 18.54000 0.00000 -1.83000 0.00000 -0.73000 0.00000 0.00000 64.00000 BUD14_1SEM-23_15.PDB 16.11000 -37.39000 -10.25000 -64.52000 -2.43000 77.47000 -84.69000 10.33000 34.66000 91.92000 0.00000 0.00000 0.00000 3.22000 18.54000 0.00000 -1.59000 0.00000 -0.63000 0.00000 0.00000 64.00000 BUD14_1SEM-23_16.PDB 15.51000 -37.49000 -11.06000 -65.01000 -3.36000 78.65000 -85.03000 9.87000 35.82000 92.98000 0.00000 0.00000 0.00000 3.37000 18.57000 0.00000 -1.85000 0.00000 -1.37000 0.00000 0.00000 64.00000 BUD14_1SEM-23_17.PDB 15.18000 -36.64000 -10.08000 -64.52000 -2.48000 77.30000 -84.96000 10.02000 34.47000 91.65000 0.00000 0.00000 0.00000 2.91000 18.60000 0.00000 -1.63000 0.00000 -0.86000 0.00000 0.00000 64.00000 BUD14_1SEM-23_18.PDB 13.54000 -37.85000 -10.70000 -65.73000 -2.18000 78.85000 -86.33000 10.02000 34.77000 91.58000 0.00000 0.00000 0.00000 3.23000 18.57000 0.00000 -1.63000 0.00000 -0.50000 0.00000 0.00000 64.00000 BUD14_1SEM-23_19.PDB 15.47000 -37.90000 -10.73000 -64.74000 -2.54000 78.33000 -84.89000 10.13000 34.74000 92.19000 0.00000 0.00000 0.00000 3.05000 18.36000 0.00000 -1.59000 0.00000 -0.56000 0.00000 0.00000 64.00000 BUD14_1SEM-23_20.PDB 13.31000 -38.64000 -12.37000 -65.81000 -3.00000 79.85000 -85.87000 10.29000 36.70000 92.38000 0.00000 0.00000 0.00000 3.00000 18.80000 0.00000 -1.89000 0.00000 -1.33000 0.00000 0.00000 64.00000 BUD14_1SEM-23_21.PDB 13.84000 -37.47000 -11.09000 -65.14000 -3.23000 78.62000 -85.22000 10.03000 35.51000 91.87000 0.00000 0.00000 0.00000 3.15000 18.55000 0.00000 -1.82000 0.00000 -1.37000 0.00000 0.00000 64.00000 BUD14_1SEM-23_22.PDB 14.54000 -37.85000 -10.71000 -65.57000 -2.47000 78.68000 -86.19000 10.39000 35.04000 92.29000 0.00000 0.00000 0.00000 3.23000 18.60000 0.00000 -1.66000 0.00000 -0.65000 0.00000 0.00000 64.00000 BUD14_1SEM-23_23.PDB 12.63000 -38.68000 -11.55000 -66.02000 -2.48000 79.63000 -86.40000 10.25000 35.53000 92.27000 0.00000 0.00000 0.00000 2.58000 18.61000 0.00000 -1.78000 0.00000 -0.72000 0.00000 0.00000 64.00000 BUD14_1SEM-23_24.PDB 15.06000 -38.70000 -11.57000 -64.72000 -2.51000 78.61000 -84.59000 11.01000 35.67000 92.20000 0.00000 0.00000 0.00000 2.37000 18.76000 0.00000 -1.88000 0.00000 -0.82000 0.00000 0.00000 64.00000 BUD14_1SEM-23_25.PDB 15.23000 -37.63000 -11.16000 -65.48000 -2.82000 79.37000 -85.59000 10.24000 35.47000 92.24000 0.00000 0.00000 0.00000 3.20000 18.60000 0.00000 -1.61000 0.00000 -0.99000 0.00000 0.00000 64.00000 BUD14_1SEM-23_26.PDB 14.01000 -39.57000 -13.14000 -65.37000 -3.39000 80.52000 -85.00000 11.12000 36.90000 92.02000 0.00000 0.00000 0.00000 3.14000 18.86000 0.00000 -2.12000 0.00000 -1.08000 0.00000 0.00000 64.00000 BUD14_1SEM-23_27.PDB 15.22000 -36.64000 -10.39000 -64.93000 -3.02000 78.02000 -85.30000 10.28000 34.71000 92.38000 0.00000 0.00000 0.00000 3.17000 18.65000 0.00000 -1.78000 0.00000 -1.27000 0.00000 0.00000 64.00000 BUD14_1SEM-23_28.PDB 16.94000 -37.10000 -9.97000 -64.54000 -2.44000 77.84000 -84.70000 10.56000 34.55000 92.27000 0.00000 0.00000 0.00000 2.87000 18.54000 0.00000 -1.57000 0.00000 -0.83000 0.00000 0.00000 64.00000 BUD14_1SEM-23_29.PDB 13.78000 -38.74000 -11.58000 -65.33000 -2.33000 78.65000 -85.60000 9.87000 35.78000 92.33000 0.00000 0.00000 0.00000 3.04000 18.63000 0.00000 -1.76000 0.00000 -0.56000 0.00000 0.00000 64.00000 BUD14_1SEM-23_30.PDB 14.96000 -37.88000 -10.73000 -65.19000 -2.21000 78.43000 -85.63000 10.46000 34.70000 92.48000 0.00000 0.00000 0.00000 2.86000 18.73000 0.00000 -1.85000 0.00000 -0.50000 0.00000 0.00000 64.00000