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_1CKA-12_1.PDB 9.93000 -39.42000 -15.39000 -65.02000 -4.78000 80.14000 -83.24000 6.90000 37.85000 92.08000 0.00000 0.00000 0.00000 4.77000 18.97000 0.00000 -2.42000 0.00000 -1.54000 0.00000 0.00000 65.00000 BUD14_1CKA-12_2.PDB 8.82000 -38.63000 -14.69000 -64.74000 -5.07000 79.66000 -83.08000 7.32000 36.96000 90.68000 0.00000 0.00000 0.00000 4.54000 18.83000 0.00000 -2.56000 0.00000 -1.55000 0.00000 0.00000 65.00000 BUD14_1CKA-12_3.PDB 9.36000 -38.55000 -14.54000 -65.09000 -4.97000 80.24000 -83.22000 6.88000 36.89000 91.42000 0.00000 0.00000 0.00000 4.16000 18.80000 0.00000 -2.43000 0.00000 -1.44000 0.00000 0.00000 65.00000 BUD14_1CKA-12_4.PDB 8.96000 -39.41000 -15.34000 -65.51000 -4.86000 80.88000 -83.51000 6.78000 37.99000 91.65000 0.00000 0.00000 0.00000 4.29000 19.05000 0.00000 -2.34000 0.00000 -1.65000 0.00000 0.00000 65.00000 BUD14_1CKA-12_5.PDB 8.38000 -39.07000 -15.08000 -64.82000 -5.05000 79.67000 -82.97000 6.96000 37.95000 90.83000 0.00000 0.00000 0.00000 4.16000 18.92000 0.00000 -2.49000 0.00000 -1.72000 0.00000 0.00000 65.00000 BUD14_1CKA-12_6.PDB 9.80000 -39.45000 -15.41000 -64.72000 -5.05000 79.98000 -82.83000 7.26000 37.97000 91.87000 0.00000 0.00000 0.00000 4.24000 18.92000 0.00000 -2.59000 0.00000 -1.47000 0.00000 0.00000 65.00000 BUD14_1CKA-12_7.PDB 11.18000 -39.91000 -16.04000 -64.89000 -4.65000 80.76000 -82.58000 7.02000 37.94000 92.60000 0.00000 0.00000 0.00000 4.37000 18.87000 0.00000 -1.88000 0.00000 -1.55000 0.00000 0.00000 65.00000 BUD14_1CKA-12_8.PDB 9.83000 -38.56000 -14.69000 -64.52000 -3.55000 79.68000 -82.58000 6.79000 36.42000 91.34000 0.00000 0.00000 0.00000 4.20000 18.94000 0.00000 -2.77000 0.00000 -1.94000 0.00000 0.00000 65.00000 BUD14_1CKA-12_9.PDB 8.49000 -38.55000 -14.55000 -65.34000 -4.93000 80.52000 -83.47000 6.73000 36.93000 90.68000 0.00000 0.00000 0.00000 3.90000 18.89000 0.00000 -2.02000 0.00000 -1.43000 0.00000 0.00000 65.00000 BUD14_1CKA-12_10.PDB 10.12000 -38.55000 -14.54000 -64.92000 -4.49000 80.13000 -82.95000 6.71000 36.59000 91.33000 0.00000 0.00000 0.00000 4.70000 18.92000 0.00000 -2.37000 0.00000 -1.50000 0.00000 0.00000 65.00000 BUD14_1CKA-12_11.PDB 10.01000 -39.21000 -15.34000 -65.43000 -4.57000 81.17000 -83.11000 7.30000 37.31000 91.14000 0.00000 0.00000 0.00000 3.99000 18.95000 0.00000 -1.90000 0.00000 -1.34000 0.00000 0.00000 65.00000 BUD14_1CKA-12_12.PDB 9.36000 -38.54000 -14.57000 -65.41000 -5.07000 80.68000 -83.57000 7.04000 37.07000 91.52000 0.00000 0.00000 0.00000 4.16000 18.89000 0.00000 -2.45000 0.00000 -1.49000 0.00000 0.00000 65.00000 BUD14_1CKA-12_13.PDB 9.69000 -39.31000 -15.33000 -64.96000 -4.95000 80.14000 -82.97000 7.23000 38.07000 91.79000 0.00000 0.00000 0.00000 4.26000 19.05000 0.00000 -2.61000 0.00000 -1.68000 0.00000 0.00000 65.00000 BUD14_1CKA-12_14.PDB 8.58000 -39.09000 -15.21000 -64.56000 -4.71000 79.79000 -82.49000 6.90000 37.40000 90.56000 0.00000 0.00000 0.00000 3.93000 18.91000 0.00000 -2.48000 0.00000 -1.45000 0.00000 0.00000 65.00000 BUD14_1CKA-12_15.PDB 10.23000 -40.05000 -16.09000 -64.70000 -5.11000 80.93000 -82.43000 7.04000 38.39000 92.04000 0.00000 0.00000 0.00000 4.23000 18.89000 0.00000 -2.50000 0.00000 -1.50000 0.00000 0.00000 65.00000 BUD14_1CKA-12_16.PDB 9.07000 -39.02000 -15.04000 -65.37000 -4.92000 80.41000 -83.44000 7.40000 37.75000 90.85000 0.00000 0.00000 0.00000 4.06000 18.92000 0.00000 -2.06000 0.00000 -1.56000 0.00000 0.00000 65.00000 BUD14_1CKA-12_17.PDB 9.27000 -39.69000 -15.84000 -65.34000 -5.37000 81.62000 -83.41000 6.71000 38.53000 91.28000 0.00000 0.00000 0.00000 4.40000 19.00000 0.00000 -2.05000 0.00000 -1.57000 0.00000 0.00000 65.00000 BUD14_1CKA-12_18.PDB 9.27000 -39.63000 -15.73000 -65.22000 -4.43000 81.00000 -83.35000 6.84000 37.90000 91.32000 0.00000 0.00000 0.00000 4.71000 19.02000 0.00000 -2.49000 0.00000 -1.65000 0.00000 0.00000 65.00000 BUD14_1CKA-12_19.PDB 9.12000 -38.54000 -14.62000 -65.01000 -4.73000 79.79000 -83.23000 6.75000 36.88000 91.21000 0.00000 0.00000 0.00000 4.16000 18.93000 0.00000 -1.97000 0.00000 -1.56000 0.00000 0.00000 65.00000 BUD14_1CKA-12_20.PDB 10.16000 -38.60000 -14.42000 -64.82000 -3.80000 79.58000 -83.23000 6.54000 36.84000 91.44000 0.00000 0.00000 0.00000 4.22000 18.78000 0.00000 -2.04000 0.00000 -1.55000 0.00000 0.00000 65.00000 BUD14_1CKA-12_21.PDB 10.76000 -38.45000 -14.47000 -63.68000 -3.73000 78.71000 -81.68000 6.75000 35.54000 91.41000 0.00000 0.00000 0.00000 4.38000 18.78000 0.00000 -2.33000 0.00000 -1.68000 0.00000 0.00000 65.00000 BUD14_1CKA-12_22.PDB 9.37000 -38.54000 -13.03000 -64.57000 -4.05000 78.96000 -83.09000 6.71000 36.10000 90.63000 0.00000 0.00000 0.00000 3.80000 18.79000 0.00000 -2.08000 0.00000 -1.48000 0.00000 0.00000 65.00000 BUD14_1CKA-12_23.PDB 8.79000 -38.46000 -14.56000 -64.83000 -5.09000 79.81000 -82.89000 6.94000 37.08000 90.48000 0.00000 0.00000 0.00000 3.88000 18.88000 0.00000 -1.92000 0.00000 -1.64000 0.00000 0.00000 65.00000 BUD14_1CKA-12_24.PDB 10.01000 -39.36000 -15.25000 -64.56000 -4.90000 79.89000 -82.54000 6.86000 37.71000 91.80000 0.00000 0.00000 0.00000 4.42000 18.98000 0.00000 -2.32000 0.00000 -1.75000 0.00000 0.00000 65.00000 BUD14_1CKA-12_25.PDB 9.65000 -38.28000 -14.87000 -65.02000 -4.62000 80.15000 -83.43000 6.67000 36.94000 91.42000 0.00000 0.00000 0.00000 4.36000 18.87000 0.00000 -2.33000 0.00000 -1.34000 0.00000 0.00000 65.00000 BUD14_1CKA-12_26.PDB 11.00000 -39.79000 -15.73000 -65.16000 -4.78000 80.91000 -82.85000 6.91000 38.00000 92.32000 0.00000 0.00000 0.00000 4.50000 18.96000 0.00000 -1.85000 0.00000 -1.50000 0.00000 0.00000 65.00000 BUD14_1CKA-12_27.PDB 9.18000 -38.51000 -14.54000 -64.64000 -5.11000 79.29000 -83.03000 6.69000 37.31000 91.38000 0.00000 0.00000 0.00000 4.20000 18.87000 0.00000 -2.50000 0.00000 -1.36000 0.00000 0.00000 65.00000 BUD14_1CKA-12_28.PDB 10.05000 -39.33000 -15.24000 -64.30000 -4.75000 79.69000 -82.05000 6.72000 37.57000 91.34000 0.00000 0.00000 0.00000 4.13000 18.85000 0.00000 -2.20000 0.00000 -1.53000 0.00000 0.00000 65.00000 BUD14_1CKA-12_29.PDB 9.67000 -39.29000 -15.25000 -64.75000 -3.33000 79.99000 -83.05000 6.81000 37.32000 91.37000 0.00000 0.00000 0.00000 4.13000 18.90000 0.00000 -2.55000 0.00000 -1.74000 0.00000 0.00000 65.00000 BUD14_1CKA-12_30.PDB 8.21000 -38.55000 -14.52000 -64.33000 -4.92000 79.20000 -82.43000 6.74000 36.78000 90.43000 0.00000 0.00000 0.00000 3.98000 18.89000 0.00000 -2.50000 0.00000 -1.67000 0.00000 0.00000 65.00000