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-11_1.PDB 18.84000 -37.98000 -8.81000 -66.52000 -2.09000 78.90000 -86.98000 12.56000 35.60000 93.05000 0.00000 0.00000 0.00000 3.26000 18.85000 0.00000 -1.88000 0.00000 -0.28000 0.00000 0.00000 64.00000 BUD14_1SEM-11_2.PDB 19.28000 -37.67000 -8.50000 -67.26000 -1.77000 79.86000 -87.78000 12.11000 34.96000 94.34000 0.00000 0.00000 0.00000 3.31000 19.04000 0.00000 -2.07000 0.00000 -0.24000 0.00000 0.00000 64.00000 BUD14_1SEM-11_3.PDB 18.72000 -37.83000 -8.65000 -66.01000 -1.75000 78.97000 -86.13000 10.82000 34.43000 93.13000 0.00000 0.00000 0.00000 4.01000 18.56000 0.00000 -1.96000 0.00000 -0.31000 0.00000 0.00000 64.00000 BUD14_1SEM-11_4.PDB 19.26000 -36.68000 -7.50000 -66.64000 -2.26000 78.27000 -87.51000 12.08000 34.48000 93.10000 0.00000 0.00000 0.00000 3.96000 18.64000 0.00000 -1.67000 0.00000 -0.37000 0.00000 0.00000 64.00000 BUD14_1SEM-11_5.PDB 20.54000 -36.92000 -7.74000 -65.66000 -1.54000 77.71000 -86.16000 11.29000 34.21000 93.99000 0.00000 0.00000 0.00000 3.45000 18.58000 0.00000 -1.80000 0.00000 -0.32000 0.00000 0.00000 64.00000 BUD14_1SEM-11_6.PDB 18.97000 -38.53000 -9.38000 -66.79000 -1.71000 79.62000 -86.92000 11.17000 35.85000 94.50000 0.00000 0.00000 0.00000 3.52000 18.63000 0.00000 -2.03000 0.00000 -0.34000 0.00000 0.00000 64.00000 BUD14_1SEM-11_7.PDB 19.63000 -36.98000 -9.07000 -67.32000 -1.91000 79.44000 -87.94000 12.58000 36.02000 92.93000 0.00000 0.00000 0.00000 3.87000 18.82000 0.00000 -1.63000 0.00000 -0.34000 0.00000 0.00000 64.00000 BUD14_1SEM-11_8.PDB 21.78000 -37.13000 -9.38000 -68.75000 -2.02000 80.56000 -90.02000 14.50000 36.45000 94.86000 0.00000 0.00000 0.00000 4.61000 19.22000 0.00000 -1.69000 0.00000 -0.22000 0.00000 0.00000 64.00000 BUD14_1SEM-11_9.PDB 19.55000 -37.85000 -10.19000 -66.59000 -1.73000 80.13000 -86.51000 11.54000 35.47000 93.61000 0.00000 0.00000 0.00000 4.06000 18.52000 0.00000 -1.90000 0.00000 -0.49000 0.00000 0.00000 64.00000 BUD14_1SEM-11_10.PDB 19.57000 -36.99000 -9.58000 -67.00000 -2.09000 79.47000 -87.63000 11.83000 36.03000 93.48000 0.00000 0.00000 0.00000 3.96000 18.75000 0.00000 -1.63000 0.00000 -0.27000 0.00000 0.00000 64.00000 BUD14_1SEM-11_11.PDB 20.69000 -36.22000 -7.06000 -66.69000 -1.72000 77.96000 -87.74000 12.18000 34.15000 93.75000 0.00000 0.00000 0.00000 4.12000 19.00000 0.00000 -1.92000 0.00000 -0.14000 0.00000 0.00000 64.00000 BUD14_1SEM-11_12.PDB 21.26000 -37.07000 -9.68000 -68.81000 -2.20000 80.91000 -89.92000 13.21000 36.78000 95.36000 0.00000 0.00000 0.00000 4.89000 19.03000 0.00000 -1.79000 0.00000 -0.41000 0.00000 0.00000 64.00000 BUD14_1SEM-11_13.PDB 22.38000 -36.15000 -8.03000 -66.67000 -1.67000 78.51000 -87.52000 12.20000 34.16000 94.53000 0.00000 0.00000 0.00000 4.64000 18.57000 0.00000 -1.52000 0.00000 -0.09000 0.00000 0.00000 64.00000 BUD14_1SEM-11_14.PDB 17.53000 -36.22000 -7.06000 -65.84000 -1.68000 77.00000 -87.04000 11.22000 33.51000 92.34000 0.00000 0.00000 0.00000 3.59000 18.67000 0.00000 -2.01000 0.00000 -0.28000 0.00000 0.00000 64.00000 BUD14_1SEM-11_15.PDB 22.75000 -36.92000 -7.71000 -66.76000 -1.81000 79.58000 -87.05000 12.73000 34.44000 94.43000 0.00000 0.00000 0.00000 3.84000 18.64000 0.00000 -1.71000 0.00000 -0.31000 0.00000 0.00000 64.00000 BUD14_1SEM-11_16.PDB 17.10000 -37.08000 -7.94000 -67.04000 -2.03000 78.38000 -88.31000 10.98000 35.19000 93.71000 0.00000 0.00000 0.00000 3.28000 18.67000 0.00000 -1.62000 0.00000 -0.42000 0.00000 0.00000 64.00000 BUD14_1SEM-11_17.PDB 20.97000 -37.13000 -7.93000 -66.79000 -2.31000 79.17000 -87.32000 11.83000 34.97000 94.14000 0.00000 0.00000 0.00000 4.05000 19.09000 0.00000 -1.55000 0.00000 -0.18000 0.00000 0.00000 64.00000 BUD14_1SEM-11_18.PDB 19.33000 -36.24000 -7.06000 -65.12000 -1.94000 76.96000 -85.59000 11.37000 33.12000 91.77000 0.00000 0.00000 0.00000 3.85000 18.78000 0.00000 -1.71000 0.00000 -0.09000 0.00000 0.00000 64.00000 BUD14_1SEM-11_19.PDB 19.31000 -36.21000 -7.06000 -65.19000 -1.86000 77.08000 -85.82000 10.41000 33.35000 92.70000 0.00000 0.00000 0.00000 4.06000 18.76000 0.00000 -1.70000 0.00000 -0.47000 0.00000 0.00000 64.00000 BUD14_1SEM-11_20.PDB 17.47000 -37.10000 -7.94000 -66.28000 -2.13000 78.38000 -86.99000 11.24000 34.88000 92.63000 0.00000 0.00000 0.00000 3.17000 18.72000 0.00000 -1.97000 0.00000 -0.43000 0.00000 0.00000 64.00000 BUD14_1SEM-11_21.PDB 20.65000 -37.12000 -7.95000 -66.03000 -1.90000 78.77000 -86.32000 11.82000 34.52000 93.26000 0.00000 0.00000 0.00000 3.56000 19.01000 0.00000 -1.75000 0.00000 -0.21000 0.00000 0.00000 64.00000 BUD14_1SEM-11_22.PDB 16.85000 -37.88000 -8.70000 -67.64000 -2.98000 80.40000 -88.85000 12.14000 35.94000 93.32000 0.00000 0.00000 0.00000 3.40000 19.12000 0.00000 -1.78000 0.00000 -0.53000 0.00000 0.00000 64.00000 BUD14_1SEM-11_23.PDB 17.89000 -37.09000 -7.93000 -66.98000 -1.84000 78.21000 -88.09000 11.22000 35.29000 93.70000 0.00000 0.00000 0.00000 3.50000 18.77000 0.00000 -1.84000 0.00000 -0.27000 0.00000 0.00000 64.00000 BUD14_1SEM-11_24.PDB 20.06000 -37.74000 -10.28000 -67.03000 -1.54000 80.12000 -87.29000 12.41000 35.95000 94.06000 0.00000 0.00000 0.00000 3.89000 18.67000 0.00000 -2.18000 0.00000 -0.30000 0.00000 0.00000 64.00000 BUD14_1SEM-11_25.PDB 19.34000 -36.23000 -7.09000 -65.83000 -1.60000 77.07000 -86.92000 10.60000 33.40000 93.85000 0.00000 0.00000 0.00000 4.10000 18.80000 0.00000 -1.70000 0.00000 -0.31000 0.00000 0.00000 64.00000 BUD14_1SEM-11_26.PDB 22.06000 -37.15000 -7.95000 -65.76000 -2.85000 78.87000 -85.83000 13.83000 34.95000 92.57000 0.00000 0.00000 0.00000 3.75000 18.97000 0.00000 -1.86000 0.00000 -0.52000 0.00000 0.00000 64.00000 BUD14_1SEM-11_27.PDB 18.32000 -37.10000 -7.94000 -66.31000 -2.04000 78.22000 -87.10000 11.06000 35.04000 93.47000 0.00000 0.00000 0.00000 3.18000 18.69000 0.00000 -1.68000 0.00000 -0.48000 0.00000 0.00000 64.00000 BUD14_1SEM-11_28.PDB 18.67000 -37.08000 -7.92000 -66.32000 -2.37000 78.43000 -87.12000 10.90000 35.45000 93.83000 0.00000 0.00000 0.00000 3.29000 18.67000 0.00000 -1.63000 0.00000 -0.80000 0.00000 0.00000 64.00000 BUD14_1SEM-11_29.PDB 21.97000 -37.70000 -8.51000 -65.01000 -2.16000 78.89000 -84.46000 12.22000 34.37000 92.65000 0.00000 0.00000 0.00000 3.90000 18.57000 0.00000 -1.89000 0.00000 -0.34000 0.00000 0.00000 64.00000 BUD14_1SEM-11_30.PDB 19.41000 -37.12000 -7.91000 -65.84000 -2.20000 78.23000 -86.16000 11.77000 34.54000 92.85000 0.00000 0.00000 0.00000 3.50000 18.78000 0.00000 -1.70000 0.00000 -0.55000 0.00000 0.00000 64.00000