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-28_1.PDB 22.75000 -36.58000 -11.43000 -69.77000 -1.38000 84.88000 -91.59000 11.46000 38.08000 98.15000 0.00000 0.00000 0.00000 3.85000 19.33000 0.00000 -2.56000 0.00000 -0.35000 0.00000 0.00000 67.00000 BUD14_1SEM-28_2.PDB 22.26000 -37.64000 -10.78000 -70.35000 -1.13000 85.39000 -92.72000 11.83000 38.60000 98.72000 0.00000 0.00000 0.00000 3.15000 19.35000 0.00000 -2.79000 0.00000 -0.02000 0.00000 0.00000 67.00000 BUD14_1SEM-28_3.PDB 21.86000 -37.61000 -10.76000 -70.78000 -1.18000 85.43000 -93.09000 11.77000 38.62000 98.71000 0.00000 0.00000 0.00000 3.10000 19.19000 0.00000 -2.32000 0.00000 -0.02000 0.00000 0.00000 67.00000 BUD14_1SEM-28_4.PDB 21.40000 -37.47000 -12.23000 -70.03000 -1.11000 85.15000 -91.70000 12.74000 38.42000 96.67000 0.00000 0.00000 0.00000 3.35000 19.56000 0.00000 -2.54000 0.00000 0.15000 0.00000 0.00000 67.00000 BUD14_1SEM-28_5.PDB 21.21000 -37.57000 -11.54000 -70.20000 -0.96000 84.81000 -92.50000 12.70000 38.05000 97.23000 0.00000 0.00000 0.00000 3.44000 19.41000 0.00000 -2.43000 0.00000 0.18000 0.00000 0.00000 67.00000 BUD14_1SEM-28_6.PDB 20.65000 -38.96000 -12.13000 -71.31000 -1.06000 86.38000 -93.58000 12.25000 38.83000 98.95000 0.00000 0.00000 0.00000 3.49000 19.21000 0.00000 -2.31000 0.00000 0.11000 0.00000 0.00000 67.00000 BUD14_1SEM-28_7.PDB 21.39000 -36.53000 -11.43000 -69.81000 -1.09000 84.91000 -91.97000 11.93000 37.94000 96.72000 0.00000 0.00000 0.00000 3.18000 19.41000 0.00000 -2.40000 0.00000 -0.06000 0.00000 0.00000 67.00000 BUD14_1SEM-28_8.PDB 21.54000 -36.46000 -9.58000 -70.15000 -1.09000 84.49000 -93.07000 11.93000 37.29000 97.32000 0.00000 0.00000 0.00000 3.44000 19.19000 0.00000 -2.41000 0.00000 -0.17000 0.00000 0.00000 67.00000 BUD14_1SEM-28_9.PDB 21.65000 -36.72000 -11.60000 -70.51000 -1.19000 85.51000 -92.43000 10.94000 38.33000 97.70000 0.00000 0.00000 0.00000 4.04000 19.10000 0.00000 -2.27000 0.00000 -0.16000 0.00000 0.00000 67.00000 BUD14_1SEM-28_10.PDB 21.49000 -37.20000 -12.06000 -70.52000 -1.00000 85.78000 -92.27000 11.49000 38.65000 97.40000 0.00000 0.00000 0.00000 3.62000 19.35000 0.00000 -2.47000 0.00000 0.08000 0.00000 0.00000 67.00000 BUD14_1SEM-28_11.PDB 21.38000 -37.17000 -10.30000 -70.37000 -0.94000 85.07000 -92.92000 11.97000 38.23000 96.82000 0.00000 0.00000 0.00000 3.22000 19.43000 0.00000 -2.44000 0.00000 0.20000 0.00000 0.00000 67.00000 BUD14_1SEM-28_12.PDB 22.07000 -36.71000 -9.87000 -70.64000 -1.41000 85.09000 -93.28000 11.25000 37.87000 98.39000 0.00000 0.00000 0.00000 4.08000 18.86000 0.00000 -2.34000 0.00000 -0.35000 0.00000 0.00000 67.00000 BUD14_1SEM-28_13.PDB 20.97000 -36.36000 -11.05000 -69.57000 -1.01000 84.07000 -91.78000 12.58000 37.59000 95.74000 0.00000 0.00000 0.00000 3.27000 19.26000 0.00000 -2.50000 0.00000 -0.02000 0.00000 0.00000 67.00000 BUD14_1SEM-28_14.PDB 21.51000 -36.97000 -10.12000 -70.51000 -1.15000 85.00000 -93.15000 11.67000 37.86000 98.38000 0.00000 0.00000 0.00000 3.51000 19.50000 0.00000 -2.78000 0.00000 -0.24000 0.00000 0.00000 67.00000 BUD14_1SEM-28_15.PDB 21.46000 -37.71000 -10.87000 -71.43000 -1.08000 86.11000 -94.11000 11.33000 38.38000 99.91000 0.00000 0.00000 0.00000 3.55000 19.07000 0.00000 -2.56000 0.00000 -0.06000 0.00000 0.00000 67.00000 BUD14_1SEM-28_16.PDB 21.22000 -36.23000 -9.32000 -69.71000 -1.14000 83.87000 -92.49000 12.58000 37.13000 95.32000 0.00000 0.00000 0.00000 3.46000 19.19000 0.00000 -2.10000 0.00000 -0.14000 0.00000 0.00000 67.00000 BUD14_1SEM-28_17.PDB 20.49000 -38.96000 -12.13000 -71.32000 -1.00000 86.50000 -93.74000 11.92000 39.03000 99.91000 0.00000 0.00000 0.00000 2.81000 19.24000 0.00000 -2.65000 0.00000 0.12000 0.00000 0.00000 67.00000 BUD14_1SEM-28_18.PDB 21.78000 -37.32000 -12.05000 -70.15000 -1.25000 85.36000 -91.68000 11.75000 39.01000 97.38000 0.00000 0.00000 0.00000 3.04000 19.20000 0.00000 -2.29000 0.00000 -0.02000 0.00000 0.00000 67.00000 BUD14_1SEM-28_19.PDB 20.01000 -38.23000 -11.36000 -70.67000 -0.85000 85.13000 -93.41000 12.77000 38.48000 97.51000 0.00000 0.00000 0.00000 3.02000 19.33000 0.00000 -2.63000 0.00000 0.24000 0.00000 0.00000 67.00000 BUD14_1SEM-28_20.PDB 20.16000 -37.57000 -12.46000 -70.57000 -1.18000 85.41000 -92.59000 12.51000 38.81000 96.63000 0.00000 0.00000 0.00000 3.47000 19.19000 0.00000 -2.40000 0.00000 0.09000 0.00000 0.00000 67.00000 BUD14_1SEM-28_21.PDB 20.71000 -37.57000 -12.45000 -69.62000 -1.24000 85.56000 -90.71000 11.33000 38.50000 96.48000 0.00000 0.00000 0.00000 3.14000 19.31000 0.00000 -2.74000 0.00000 0.02000 0.00000 0.00000 67.00000 BUD14_1SEM-28_22.PDB 21.93000 -36.71000 -9.91000 -70.12000 -0.72000 84.40000 -92.44000 11.24000 37.08000 97.16000 0.00000 0.00000 0.00000 3.66000 18.94000 0.00000 -2.11000 0.00000 0.39000 0.00000 0.00000 67.00000 BUD14_1SEM-28_23.PDB 20.17000 -37.66000 -10.81000 -70.51000 -1.20000 85.24000 -93.00000 12.46000 38.29000 97.16000 0.00000 0.00000 0.00000 3.06000 19.41000 0.00000 -2.85000 0.00000 -0.02000 0.00000 0.00000 67.00000 BUD14_1SEM-28_24.PDB 22.08000 -38.32000 -11.51000 -70.60000 -1.13000 86.14000 -92.36000 11.50000 38.23000 100.05000 0.00000 0.00000 0.00000 2.95000 19.00000 0.00000 -2.80000 0.00000 -0.10000 0.00000 0.00000 67.00000 BUD14_1SEM-28_25.PDB 20.40000 -37.71000 -10.82000 -70.93000 -1.16000 84.75000 -93.51000 12.76000 38.27000 97.30000 0.00000 0.00000 0.00000 3.68000 19.29000 0.00000 -2.26000 0.00000 0.03000 0.00000 0.00000 67.00000 BUD14_1SEM-28_26.PDB 20.61000 -36.93000 -10.09000 -69.87000 -1.24000 84.56000 -92.03000 11.27000 37.28000 97.10000 0.00000 0.00000 0.00000 3.40000 19.03000 0.00000 -2.62000 0.00000 -0.23000 0.00000 0.00000 67.00000 BUD14_1SEM-28_27.PDB 21.08000 -36.62000 -11.53000 -69.54000 -1.07000 84.92000 -90.76000 11.41000 37.71000 96.10000 0.00000 0.00000 0.00000 2.76000 19.07000 0.00000 -2.34000 0.00000 0.03000 0.00000 0.00000 67.00000 BUD14_1SEM-28_28.PDB 22.73000 -37.73000 -12.58000 -70.12000 -0.86000 85.88000 -91.70000 10.63000 39.14000 99.21000 0.00000 0.00000 0.00000 3.34000 20.79000 0.00000 -2.63000 0.00000 0.18000 0.00000 0.00000 67.00000 BUD14_1SEM-28_29.PDB 22.53000 -37.00000 -11.80000 -70.47000 -1.08000 85.64000 -92.33000 12.13000 38.30000 98.17000 0.00000 0.00000 0.00000 3.57000 19.52000 0.00000 -2.78000 0.00000 0.18000 0.00000 0.00000 67.00000 BUD14_1SEM-28_30.PDB 21.00000 -36.78000 -9.93000 -70.38000 -1.27000 84.89000 -92.53000 11.23000 37.57000 97.10000 0.00000 0.00000 0.00000 3.59000 19.23000 0.00000 -2.24000 0.00000 -0.24000 0.00000 0.00000 67.00000