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-20_1.PDB 11.28000 -39.41000 -10.52000 -69.37000 -2.26000 81.65000 -90.97000 9.18000 36.01000 95.54000 0.00000 0.00000 0.00000 3.44000 18.23000 0.00000 -1.74000 0.00000 -0.25000 0.00000 0.00000 66.00000 BUD14_1CKA-20_2.PDB 11.65000 -39.39000 -10.51000 -69.32000 -2.31000 81.57000 -90.91000 8.87000 36.00000 96.25000 0.00000 0.00000 0.00000 3.43000 18.19000 0.00000 -1.79000 0.00000 -0.26000 0.00000 0.00000 66.00000 BUD14_1CKA-20_3.PDB 10.93000 -38.52000 -9.64000 -69.26000 -2.02000 80.84000 -91.23000 8.73000 35.06000 95.11000 0.00000 0.00000 0.00000 3.52000 18.15000 0.00000 -1.61000 0.00000 -0.03000 0.00000 0.00000 66.00000 BUD14_1CKA-20_4.PDB 12.55000 -39.37000 -10.49000 -69.23000 -1.92000 81.89000 -90.36000 8.98000 35.89000 95.70000 0.00000 0.00000 0.00000 3.47000 18.20000 0.00000 -1.77000 0.00000 -0.25000 0.00000 0.00000 66.00000 BUD14_1CKA-20_5.PDB 12.15000 -39.38000 -10.49000 -69.14000 -1.96000 81.78000 -90.25000 8.67000 35.84000 95.66000 0.00000 0.00000 0.00000 3.54000 18.23000 0.00000 -1.89000 0.00000 -0.25000 0.00000 0.00000 66.00000 BUD14_1CKA-20_6.PDB 11.26000 -39.32000 -10.43000 -70.61000 -2.51000 83.14000 -92.35000 8.72000 37.41000 96.04000 0.00000 0.00000 0.00000 3.67000 18.22000 0.00000 -1.91000 0.00000 -0.59000 0.00000 0.00000 66.00000 BUD14_1CKA-20_7.PDB 11.56000 -38.54000 -9.88000 -68.72000 -3.10000 81.31000 -90.49000 8.66000 35.89000 95.35000 0.00000 0.00000 0.00000 3.67000 18.02000 0.00000 -1.63000 0.00000 -0.96000 0.00000 0.00000 66.00000 BUD14_1CKA-20_8.PDB 12.25000 -39.40000 -10.50000 -69.34000 -1.98000 82.28000 -90.41000 8.98000 35.86000 95.25000 0.00000 0.00000 0.00000 3.52000 18.29000 0.00000 -1.77000 0.00000 -0.23000 0.00000 0.00000 66.00000 BUD14_1CKA-20_9.PDB 11.64000 -38.50000 -9.71000 -68.81000 -3.11000 81.58000 -90.56000 8.65000 35.85000 95.37000 0.00000 0.00000 0.00000 3.51000 18.06000 0.00000 -1.69000 0.00000 -0.95000 0.00000 0.00000 66.00000 BUD14_1CKA-20_10.PDB 10.41000 -38.53000 -10.30000 -68.82000 -3.19000 81.45000 -90.58000 8.73000 36.17000 94.66000 0.00000 0.00000 0.00000 3.51000 18.03000 0.00000 -1.72000 0.00000 -0.96000 0.00000 0.00000 66.00000 BUD14_1CKA-20_11.PDB 12.08000 -39.41000 -10.90000 -68.55000 -2.55000 81.72000 -89.62000 8.92000 36.06000 95.41000 0.00000 0.00000 0.00000 3.78000 18.10000 0.00000 -2.00000 0.00000 -0.77000 0.00000 0.00000 66.00000 BUD14_1CKA-20_12.PDB 13.38000 -39.40000 -10.50000 -69.15000 -1.76000 81.80000 -90.40000 9.34000 36.17000 95.68000 0.00000 0.00000 0.00000 3.55000 18.11000 0.00000 -1.70000 0.00000 -0.26000 0.00000 0.00000 66.00000 BUD14_1CKA-20_13.PDB 12.34000 -39.39000 -10.82000 -68.31000 -2.58000 81.78000 -89.23000 8.64000 35.87000 95.40000 0.00000 0.00000 0.00000 3.64000 17.97000 0.00000 -1.89000 0.00000 -0.75000 0.00000 0.00000 66.00000 BUD14_1CKA-20_14.PDB 11.84000 -40.21000 -11.33000 -69.11000 -2.23000 82.33000 -90.53000 8.84000 36.59000 96.04000 0.00000 0.00000 0.00000 3.61000 18.32000 0.00000 -1.99000 0.00000 -0.20000 0.00000 0.00000 66.00000 BUD14_1CKA-20_15.PDB 11.96000 -38.50000 -10.05000 -68.29000 -3.21000 81.35000 -89.70000 8.92000 35.41000 95.08000 0.00000 0.00000 0.00000 3.67000 18.07000 0.00000 -1.67000 0.00000 -1.05000 0.00000 0.00000 66.00000 BUD14_1CKA-20_16.PDB 12.15000 -38.48000 -9.61000 -69.31000 -2.53000 81.45000 -91.26000 8.86000 35.72000 95.97000 0.00000 0.00000 0.00000 3.48000 18.21000 0.00000 -1.61000 0.00000 -0.53000 0.00000 0.00000 66.00000 BUD14_1CKA-20_17.PDB 11.24000 -39.43000 -11.18000 -68.67000 -2.74000 81.94000 -89.67000 9.07000 36.27000 94.66000 0.00000 0.00000 0.00000 3.66000 18.15000 0.00000 -1.87000 0.00000 -0.79000 0.00000 0.00000 66.00000 BUD14_1CKA-20_18.PDB 12.47000 -38.50000 -9.62000 -68.91000 -2.64000 81.69000 -90.27000 8.77000 35.58000 95.29000 0.00000 0.00000 0.00000 3.51000 18.04000 0.00000 -1.85000 0.00000 -0.57000 0.00000 0.00000 66.00000 BUD14_1CKA-20_19.PDB 11.47000 -39.35000 -10.46000 -69.13000 -2.20000 81.53000 -90.57000 9.16000 35.80000 95.25000 0.00000 0.00000 0.00000 3.45000 18.16000 0.00000 -1.73000 0.00000 -0.26000 0.00000 0.00000 66.00000 BUD14_1CKA-20_20.PDB 11.00000 -39.21000 -13.65000 -68.94000 -2.56000 82.80000 -90.26000 8.69000 37.29000 95.52000 0.00000 0.00000 0.00000 3.52000 18.11000 0.00000 -1.62000 0.00000 -0.55000 0.00000 0.00000 66.00000 BUD14_1CKA-20_21.PDB 13.91000 -39.39000 -10.93000 -68.61000 -2.54000 81.88000 -89.52000 8.85000 36.09000 95.42000 0.00000 0.00000 0.00000 4.97000 18.17000 0.00000 -1.54000 0.00000 -0.79000 0.00000 0.00000 66.00000 BUD14_1CKA-20_22.PDB 11.35000 -38.54000 -9.64000 -69.31000 -2.59000 81.43000 -91.21000 8.67000 35.81000 95.47000 0.00000 0.00000 0.00000 3.53000 18.15000 0.00000 -1.61000 0.00000 -0.66000 0.00000 0.00000 66.00000 BUD14_1CKA-20_23.PDB 12.60000 -39.42000 -10.50000 -69.16000 -2.02000 81.83000 -90.35000 9.21000 35.86000 95.80000 0.00000 0.00000 0.00000 3.50000 18.22000 0.00000 -1.84000 0.00000 -0.31000 0.00000 0.00000 66.00000 BUD14_1CKA-20_24.PDB 9.87000 -40.14000 -14.60000 -68.67000 -2.73000 83.17000 -89.35000 8.37000 37.78000 94.98000 0.00000 0.00000 0.00000 3.58000 18.21000 0.00000 -1.93000 0.00000 -0.58000 0.00000 0.00000 66.00000 BUD14_1CKA-20_25.PDB 11.01000 -39.38000 -10.49000 -69.36000 -2.41000 81.74000 -90.93000 8.80000 36.11000 95.57000 0.00000 0.00000 0.00000 3.60000 18.24000 0.00000 -1.80000 0.00000 -0.44000 0.00000 0.00000 66.00000 BUD14_1CKA-20_26.PDB 11.78000 -38.44000 -9.57000 -69.05000 -2.34000 81.22000 -90.87000 8.52000 35.44000 95.44000 0.00000 0.00000 0.00000 3.47000 18.10000 0.00000 -1.60000 0.00000 -0.42000 0.00000 0.00000 66.00000 BUD14_1CKA-20_27.PDB 12.91000 -39.38000 -10.48000 -68.99000 -1.95000 81.60000 -90.17000 9.37000 35.75000 95.77000 0.00000 0.00000 0.00000 3.50000 18.17000 0.00000 -1.83000 0.00000 -0.28000 0.00000 0.00000 66.00000 BUD14_1CKA-20_28.PDB 11.62000 -39.08000 -10.20000 -69.26000 -2.42000 82.10000 -91.13000 8.72000 36.06000 95.36000 0.00000 0.00000 0.00000 3.52000 18.21000 0.00000 -1.61000 0.00000 -0.45000 0.00000 0.00000 66.00000 BUD14_1CKA-20_29.PDB 11.75000 -40.14000 -14.62000 -68.66000 -2.06000 83.16000 -89.18000 9.03000 37.36000 95.51000 0.00000 0.00000 0.00000 3.52000 18.20000 0.00000 -1.83000 0.00000 -0.35000 0.00000 0.00000 66.00000 BUD14_1CKA-20_30.PDB 12.31000 -38.44000 -9.56000 -69.19000 -2.34000 81.17000 -91.15000 8.93000 35.62000 95.89000 0.00000 0.00000 0.00000 3.52000 18.12000 0.00000 -1.61000 0.00000 -0.52000 0.00000 0.00000 66.00000