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-9_1.PDB 17.50000 -37.61000 -8.43000 -67.34000 -1.82000 80.87000 -88.49000 10.62000 35.10000 94.18000 0.00000 0.00000 0.00000 3.09000 17.13000 0.00000 -2.53000 0.00000 -0.13000 0.00000 0.00000 65.00000 BUD14_1SEM-9_2.PDB 18.12000 -37.59000 -8.41000 -67.78000 -1.55000 81.05000 -89.36000 10.66000 35.28000 94.76000 0.00000 0.00000 0.00000 3.80000 16.94000 0.00000 -2.54000 0.00000 -0.20000 0.00000 0.00000 65.00000 BUD14_1SEM-9_3.PDB 17.58000 -37.27000 -8.09000 -68.43000 -1.97000 81.85000 -89.83000 10.70000 35.51000 94.61000 0.00000 0.00000 0.00000 2.98000 17.19000 0.00000 -2.30000 0.00000 -0.19000 0.00000 0.00000 65.00000 BUD14_1SEM-9_4.PDB 17.88000 -37.62000 -8.43000 -68.69000 -1.65000 81.69000 -90.46000 10.52000 35.77000 95.32000 0.00000 0.00000 0.00000 4.23000 17.11000 0.00000 -2.58000 0.00000 -0.21000 0.00000 0.00000 65.00000 BUD14_1SEM-9_5.PDB 16.98000 -37.43000 -8.19000 -68.88000 -1.97000 81.75000 -90.20000 11.07000 36.43000 93.81000 0.00000 0.00000 0.00000 3.14000 17.39000 0.00000 -2.15000 0.00000 -0.40000 0.00000 0.00000 65.00000 BUD14_1SEM-9_6.PDB 18.02000 -37.55000 -9.90000 -66.84000 -1.81000 80.78000 -87.63000 10.49000 35.22000 93.62000 0.00000 0.00000 0.00000 3.91000 17.09000 0.00000 -2.13000 0.00000 -0.13000 0.00000 0.00000 65.00000 BUD14_1SEM-9_7.PDB 17.44000 -37.23000 -8.05000 -67.98000 -1.65000 80.60000 -89.38000 11.12000 35.92000 93.60000 0.00000 0.00000 0.00000 3.04000 17.23000 0.00000 -2.18000 0.00000 -0.37000 0.00000 0.00000 65.00000 BUD14_1SEM-9_8.PDB 17.05000 -37.57000 -9.91000 -67.27000 -1.46000 80.65000 -88.47000 10.49000 35.43000 94.62000 0.00000 0.00000 0.00000 3.08000 17.11000 0.00000 -2.39000 0.00000 -0.14000 0.00000 0.00000 65.00000 BUD14_1SEM-9_9.PDB 16.91000 -37.44000 -8.26000 -67.77000 -2.07000 80.47000 -88.88000 10.58000 35.91000 94.06000 0.00000 0.00000 0.00000 3.18000 17.23000 0.00000 -2.44000 0.00000 -0.41000 0.00000 0.00000 65.00000 BUD14_1SEM-9_10.PDB 18.32000 -37.32000 -8.14000 -67.20000 -1.74000 80.68000 -88.17000 10.64000 34.82000 93.96000 0.00000 0.00000 0.00000 3.00000 17.32000 0.00000 -2.12000 0.00000 -0.10000 0.00000 0.00000 65.00000 BUD14_1SEM-9_11.PDB 16.92000 -37.39000 -8.19000 -68.18000 -1.71000 80.69000 -89.61000 10.48000 36.09000 94.16000 0.00000 0.00000 0.00000 3.23000 17.29000 0.00000 -2.30000 0.00000 -0.37000 0.00000 0.00000 65.00000 BUD14_1SEM-9_12.PDB 17.55000 -37.40000 -9.76000 -66.51000 -1.94000 80.29000 -87.23000 10.69000 34.91000 94.23000 0.00000 0.00000 0.00000 3.00000 17.08000 0.00000 -2.48000 0.00000 -0.24000 0.00000 0.00000 65.00000 BUD14_1SEM-9_13.PDB 16.87000 -37.53000 -9.70000 -67.97000 -1.58000 81.29000 -89.31000 10.64000 35.85000 94.49000 0.00000 0.00000 0.00000 3.00000 17.12000 0.00000 -2.13000 0.00000 -0.19000 0.00000 0.00000 65.00000 BUD14_1SEM-9_14.PDB 17.02000 -37.39000 -8.21000 -67.84000 -1.50000 80.32000 -89.72000 10.71000 35.01000 95.16000 0.00000 0.00000 0.00000 2.98000 17.06000 0.00000 -2.34000 0.00000 -0.15000 0.00000 0.00000 65.00000 BUD14_1SEM-9_15.PDB 16.01000 -36.91000 -7.69000 -68.27000 -1.66000 80.71000 -89.37000 10.51000 35.10000 93.44000 0.00000 0.00000 0.00000 2.70000 17.04000 0.00000 -2.44000 0.00000 -0.08000 0.00000 0.00000 65.00000 BUD14_1SEM-9_16.PDB 17.45000 -37.86000 -10.20000 -67.13000 -2.04000 80.82000 -87.70000 10.77000 36.64000 93.54000 0.00000 0.00000 0.00000 3.14000 17.28000 0.00000 -2.17000 0.00000 -0.39000 0.00000 0.00000 65.00000 BUD14_1SEM-9_17.PDB 18.39000 -37.11000 -7.93000 -66.70000 -1.62000 79.93000 -87.53000 10.69000 34.61000 93.72000 0.00000 0.00000 0.00000 2.88000 16.98000 0.00000 -2.44000 0.00000 -0.12000 0.00000 0.00000 65.00000 BUD14_1SEM-9_18.PDB 15.62000 -37.59000 -8.40000 -67.95000 -1.46000 80.82000 -89.34000 10.54000 34.87000 94.14000 0.00000 0.00000 0.00000 2.68000 17.01000 0.00000 -2.54000 0.00000 -0.14000 0.00000 0.00000 65.00000 BUD14_1SEM-9_19.PDB 16.92000 -37.17000 -9.48000 -67.49000 -1.53000 80.47000 -88.64000 10.52000 35.88000 93.99000 0.00000 0.00000 0.00000 2.96000 17.13000 0.00000 -2.29000 0.00000 -0.29000 0.00000 0.00000 65.00000 BUD14_1SEM-9_20.PDB 18.13000 -37.29000 -9.83000 -67.21000 -1.88000 81.65000 -87.71000 10.59000 35.30000 93.95000 0.00000 0.00000 0.00000 3.12000 17.10000 0.00000 -2.36000 0.00000 -0.18000 0.00000 0.00000 65.00000 BUD14_1SEM-9_21.PDB 16.64000 -37.44000 -8.27000 -69.02000 -1.57000 81.65000 -91.00000 10.68000 35.73000 95.18000 0.00000 0.00000 0.00000 3.38000 17.28000 0.00000 -2.46000 0.00000 -0.22000 0.00000 0.00000 65.00000 BUD14_1SEM-9_22.PDB 16.90000 -38.30000 -9.11000 -67.98000 -1.73000 81.11000 -89.08000 10.83000 36.77000 93.82000 0.00000 0.00000 0.00000 3.22000 17.28000 0.00000 -2.30000 0.00000 -0.35000 0.00000 0.00000 65.00000 BUD14_1SEM-9_23.PDB 17.07000 -37.74000 -10.07000 -68.16000 -2.04000 81.50000 -89.23000 10.50000 36.70000 94.55000 0.00000 0.00000 0.00000 4.27000 17.20000 0.00000 -2.81000 0.00000 -0.40000 0.00000 0.00000 65.00000 BUD14_1SEM-9_24.PDB 16.87000 -37.43000 -8.25000 -67.38000 -1.86000 80.75000 -88.10000 10.60000 34.68000 93.98000 0.00000 0.00000 0.00000 2.63000 16.97000 0.00000 -2.59000 0.00000 -0.17000 0.00000 0.00000 65.00000 BUD14_1SEM-9_25.PDB 17.17000 -37.32000 -8.15000 -68.96000 -1.90000 81.90000 -90.95000 11.41000 35.59000 94.45000 0.00000 0.00000 0.00000 3.64000 17.27000 0.00000 -2.36000 0.00000 -0.17000 0.00000 0.00000 65.00000 BUD14_1SEM-9_26.PDB 16.28000 -37.46000 -8.27000 -68.12000 -1.80000 80.48000 -89.85000 10.95000 35.95000 94.15000 0.00000 0.00000 0.00000 3.24000 17.11000 0.00000 -2.52000 0.00000 -0.46000 0.00000 0.00000 65.00000 BUD14_1SEM-9_27.PDB 17.10000 -37.65000 -10.22000 -68.28000 -1.50000 82.15000 -89.40000 10.58000 35.92000 95.14000 0.00000 0.00000 0.00000 3.29000 17.18000 0.00000 -2.76000 0.00000 -0.16000 0.00000 0.00000 65.00000 BUD14_1SEM-9_28.PDB 16.31000 -37.51000 -9.82000 -67.51000 -1.76000 80.52000 -88.56000 10.58000 36.11000 93.96000 0.00000 0.00000 0.00000 3.10000 17.17000 0.00000 -2.35000 0.00000 -0.45000 0.00000 0.00000 65.00000 BUD14_1SEM-9_29.PDB 16.00000 -37.00000 -7.80000 -67.69000 -1.45000 79.75000 -88.94000 10.42000 34.78000 94.00000 0.00000 0.00000 0.00000 2.63000 16.97000 0.00000 -2.56000 0.00000 -0.14000 0.00000 0.00000 65.00000 BUD14_1SEM-9_30.PDB 18.19000 -36.64000 -9.00000 -66.05000 -1.78000 79.21000 -86.61000 10.65000 34.72000 92.78000 0.00000 0.00000 0.00000 3.01000 17.11000 0.00000 -1.98000 0.00000 -0.13000 0.00000 0.00000 65.00000