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-12_1.PDB 16.90000 -37.95000 -11.64000 -65.02000 -3.43000 80.03000 -84.06000 11.15000 34.17000 92.95000 0.00000 0.00000 0.00000 3.90000 18.76000 0.00000 -2.16000 0.00000 -1.03000 0.00000 0.00000 65.00000 BUD14_1SEM-12_2.PDB 17.88000 -36.80000 -10.18000 -65.19000 -3.53000 80.19000 -84.11000 10.26000 34.70000 92.05000 0.00000 0.00000 0.00000 3.81000 18.70000 0.00000 -2.03000 0.00000 -1.27000 0.00000 0.00000 65.00000 BUD14_1SEM-12_3.PDB 17.02000 -37.16000 -9.72000 -65.14000 -3.56000 79.29000 -84.16000 9.94000 34.38000 92.64000 0.00000 0.00000 0.00000 3.62000 18.83000 0.00000 -2.00000 0.00000 -1.11000 0.00000 0.00000 65.00000 BUD14_1SEM-12_4.PDB 15.74000 -37.62000 -10.16000 -64.72000 -3.99000 79.44000 -83.51000 9.90000 34.11000 91.88000 0.00000 0.00000 0.00000 3.22000 18.57000 0.00000 -1.73000 0.00000 -1.07000 0.00000 0.00000 65.00000 BUD14_1SEM-12_5.PDB 18.95000 -36.42000 -8.99000 -65.43000 -3.63000 79.39000 -84.33000 10.44000 34.55000 92.36000 0.00000 0.00000 0.00000 3.68000 18.88000 0.00000 -1.62000 0.00000 -1.06000 0.00000 0.00000 65.00000 BUD14_1SEM-12_6.PDB 17.28000 -37.63000 -10.05000 -64.59000 -3.66000 79.57000 -83.23000 9.80000 34.19000 92.11000 0.00000 0.00000 0.00000 3.38000 18.65000 0.00000 -1.72000 0.00000 -0.91000 0.00000 0.00000 65.00000 BUD14_1SEM-12_7.PDB 17.00000 -38.21000 -10.48000 -64.98000 -3.59000 79.51000 -83.99000 11.02000 34.12000 93.25000 0.00000 0.00000 0.00000 3.50000 18.72000 0.00000 -2.20000 0.00000 -0.94000 0.00000 0.00000 65.00000 BUD14_1SEM-12_8.PDB 16.10000 -37.59000 -9.98000 -64.70000 -3.75000 79.31000 -83.60000 9.89000 34.11000 91.97000 0.00000 0.00000 0.00000 3.18000 18.67000 0.00000 -1.73000 0.00000 -1.00000 0.00000 0.00000 65.00000 BUD14_1SEM-12_9.PDB 18.26000 -37.15000 -9.72000 -65.04000 -3.73000 79.49000 -83.86000 9.92000 34.36000 93.10000 0.00000 0.00000 0.00000 3.69000 18.76000 0.00000 -1.82000 0.00000 -1.00000 0.00000 0.00000 65.00000 BUD14_1SEM-12_10.PDB 17.45000 -37.21000 -9.77000 -64.60000 -3.94000 79.15000 -83.34000 9.90000 34.39000 92.45000 0.00000 0.00000 0.00000 3.48000 18.56000 0.00000 -1.83000 0.00000 -1.23000 0.00000 0.00000 65.00000 BUD14_1SEM-12_11.PDB 17.17000 -37.66000 -10.17000 -65.38000 -3.85000 79.98000 -84.38000 9.99000 34.41000 93.40000 0.00000 0.00000 0.00000 3.67000 18.79000 0.00000 -1.79000 0.00000 -1.04000 0.00000 0.00000 65.00000 BUD14_1SEM-12_12.PDB 17.90000 -36.96000 -9.55000 -65.59000 -3.47000 80.05000 -84.62000 10.27000 34.63000 92.11000 0.00000 0.00000 0.00000 3.74000 18.87000 0.00000 -1.69000 0.00000 -1.03000 0.00000 0.00000 65.00000 BUD14_1SEM-12_13.PDB 19.27000 -37.31000 -9.02000 -63.45000 -2.12000 76.64000 -82.75000 9.95000 33.72000 92.74000 0.00000 0.00000 0.00000 3.36000 18.28000 0.00000 -1.89000 0.00000 -0.60000 0.00000 0.00000 65.00000 BUD14_1SEM-12_14.PDB 19.45000 -36.78000 -9.05000 -65.40000 -3.26000 80.12000 -84.47000 9.98000 33.74000 93.59000 0.00000 0.00000 0.00000 3.74000 18.65000 0.00000 -1.78000 0.00000 -0.97000 0.00000 0.00000 65.00000 BUD14_1SEM-12_15.PDB 18.68000 -37.12000 -9.54000 -65.11000 -3.66000 79.79000 -83.79000 10.25000 34.36000 92.74000 0.00000 0.00000 0.00000 3.54000 18.85000 0.00000 -1.93000 0.00000 -0.84000 0.00000 0.00000 65.00000 BUD14_1SEM-12_16.PDB 18.67000 -37.37000 -9.91000 -64.98000 -3.65000 79.37000 -83.85000 10.25000 34.39000 93.80000 0.00000 0.00000 0.00000 3.79000 18.69000 0.00000 -2.07000 0.00000 -1.09000 0.00000 0.00000 65.00000 BUD14_1SEM-12_17.PDB 17.34000 -37.77000 -10.29000 -66.02000 -3.52000 80.76000 -85.00000 10.06000 34.87000 93.51000 0.00000 0.00000 0.00000 3.58000 18.79000 0.00000 -1.77000 0.00000 -1.07000 0.00000 0.00000 65.00000 BUD14_1SEM-12_18.PDB 18.60000 -37.86000 -9.99000 -65.37000 -3.52000 79.95000 -84.35000 11.47000 34.49000 93.31000 0.00000 0.00000 0.00000 3.68000 18.72000 0.00000 -2.17000 0.00000 -1.04000 0.00000 0.00000 65.00000 BUD14_1SEM-12_19.PDB 18.17000 -36.24000 -8.78000 -65.11000 -4.15000 79.46000 -84.17000 9.96000 33.89000 92.71000 0.00000 0.00000 0.00000 3.72000 18.75000 0.00000 -1.84000 0.00000 -1.29000 0.00000 0.00000 65.00000 BUD14_1SEM-12_20.PDB 18.45000 -37.68000 -10.12000 -65.66000 -3.56000 80.31000 -84.66000 10.67000 34.76000 92.79000 0.00000 0.00000 0.00000 4.37000 18.73000 0.00000 -1.65000 0.00000 -1.12000 0.00000 0.00000 65.00000 BUD14_1SEM-12_21.PDB 16.51000 -37.77000 -10.14000 -64.75000 -3.79000 79.67000 -83.58000 9.97000 34.19000 92.12000 0.00000 0.00000 0.00000 3.24000 18.55000 0.00000 -1.70000 0.00000 -0.94000 0.00000 0.00000 65.00000 BUD14_1SEM-12_22.PDB 16.77000 -37.41000 -9.78000 -64.77000 -3.98000 79.53000 -83.62000 10.33000 34.21000 91.39000 0.00000 0.00000 0.00000 3.26000 18.54000 0.00000 -1.39000 0.00000 -1.00000 0.00000 0.00000 65.00000 BUD14_1SEM-12_23.PDB 18.86000 -37.61000 -10.00000 -65.38000 -3.54000 80.45000 -84.03000 10.17000 34.53000 93.16000 0.00000 0.00000 0.00000 3.60000 18.80000 0.00000 -1.45000 0.00000 -1.04000 0.00000 0.00000 65.00000 BUD14_1SEM-12_24.PDB 18.33000 -36.93000 -9.42000 -65.26000 -4.21000 80.06000 -84.18000 9.81000 33.88000 93.78000 0.00000 0.00000 0.00000 3.79000 18.74000 0.00000 -1.76000 0.00000 -1.21000 0.00000 0.00000 65.00000 BUD14_1SEM-12_25.PDB 17.79000 -37.31000 -9.87000 -64.89000 -3.74000 79.64000 -83.43000 10.00000 34.50000 92.44000 0.00000 0.00000 0.00000 3.41000 18.54000 0.00000 -1.99000 0.00000 -0.95000 0.00000 0.00000 65.00000 BUD14_1SEM-12_26.PDB 18.52000 -36.30000 -8.00000 -63.28000 -2.37000 76.06000 -82.67000 10.07000 32.76000 90.82000 0.00000 0.00000 0.00000 3.50000 18.32000 0.00000 -1.57000 0.00000 -0.51000 0.00000 0.00000 65.00000 BUD14_1SEM-12_27.PDB 17.57000 -37.14000 -9.67000 -65.00000 -3.74000 79.34000 -83.97000 10.02000 34.38000 92.75000 0.00000 0.00000 0.00000 3.48000 18.73000 0.00000 -1.83000 0.00000 -1.05000 0.00000 0.00000 65.00000 BUD14_1SEM-12_28.PDB 18.17000 -37.24000 -9.77000 -64.94000 -3.69000 79.46000 -83.81000 9.81000 34.31000 93.44000 0.00000 0.00000 0.00000 3.46000 18.66000 0.00000 -1.92000 0.00000 -0.97000 0.00000 0.00000 65.00000 BUD14_1SEM-12_29.PDB 17.99000 -36.60000 -9.15000 -65.18000 -4.15000 79.27000 -84.32000 10.43000 33.82000 93.41000 0.00000 0.00000 0.00000 3.66000 18.76000 0.00000 -1.89000 0.00000 -1.29000 0.00000 0.00000 65.00000 BUD14_1SEM-12_30.PDB 17.19000 -38.06000 -10.22000 -64.98000 -3.82000 79.79000 -83.74000 11.23000 34.28000 92.32000 0.00000 0.00000 0.00000 3.46000 18.55000 0.00000 -2.12000 0.00000 -0.93000 0.00000 0.00000 65.00000