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_1CKB-8_1.PDB 8.74000 -39.60000 -13.83000 -70.44000 -1.66000 82.52000 -91.83000 11.39000 38.95000 92.01000 0.00000 0.00000 0.00000 3.93000 19.10000 0.00000 -2.35000 0.00000 -0.33000 0.00000 0.00000 65.00000 BUD14_1CKB-8_2.PDB 7.78000 -40.34000 -12.17000 -70.39000 -1.69000 82.46000 -92.04000 10.11000 38.84000 91.75000 0.00000 0.00000 0.00000 3.96000 19.12000 0.00000 -2.41000 0.00000 -0.29000 0.00000 0.00000 65.00000 BUD14_1CKB-8_3.PDB 8.66000 -41.73000 -14.34000 -69.30000 -2.27000 83.13000 -90.29000 11.58000 39.01000 93.19000 0.00000 0.00000 0.00000 2.97000 19.17000 0.00000 -2.76000 0.00000 -0.52000 0.00000 0.00000 65.00000 BUD14_1CKB-8_4.PDB 7.10000 -40.44000 -13.82000 -70.15000 -1.85000 81.82000 -91.74000 11.50000 38.95000 93.14000 0.00000 0.00000 0.00000 3.13000 18.99000 0.00000 -2.99000 0.00000 -0.44000 0.00000 0.00000 65.00000 BUD14_1CKB-8_5.PDB 8.63000 -38.80000 -14.73000 -69.59000 -1.88000 81.47000 -90.91000 10.80000 38.84000 92.20000 0.00000 0.00000 0.00000 3.65000 18.66000 0.00000 -2.02000 0.00000 -0.39000 0.00000 0.00000 65.00000 BUD14_1CKB-8_6.PDB 7.29000 -41.67000 -13.19000 -71.27000 -2.04000 83.94000 -93.01000 10.32000 39.69000 93.73000 0.00000 0.00000 0.00000 3.88000 19.30000 0.00000 -2.67000 0.00000 -0.42000 0.00000 0.00000 65.00000 BUD14_1CKB-8_7.PDB 6.70000 -40.35000 -12.23000 -69.97000 -1.58000 81.85000 -91.39000 10.39000 38.69000 91.18000 0.00000 0.00000 0.00000 2.84000 19.03000 0.00000 -2.43000 0.00000 -0.27000 0.00000 0.00000 65.00000 BUD14_1CKB-8_8.PDB 7.72000 -40.34000 -12.20000 -70.98000 -2.62000 83.00000 -92.55000 11.10000 39.68000 91.52000 0.00000 0.00000 0.00000 4.55000 19.22000 0.00000 -2.79000 0.00000 -0.66000 0.00000 0.00000 65.00000 BUD14_1CKB-8_9.PDB 9.19000 -40.47000 -14.83000 -68.93000 -1.59000 81.07000 -90.31000 11.72000 38.60000 93.86000 0.00000 0.00000 0.00000 2.78000 18.96000 0.00000 -2.45000 0.00000 -0.26000 0.00000 0.00000 65.00000 BUD14_1CKB-8_10.PDB 7.19000 -39.62000 -13.06000 -68.55000 -1.92000 80.55000 -89.87000 9.21000 38.16000 92.60000 0.00000 0.00000 0.00000 2.88000 18.87000 0.00000 -2.79000 0.00000 -0.39000 0.00000 0.00000 65.00000 BUD14_1CKB-8_11.PDB 7.70000 -39.48000 -11.37000 -68.87000 -1.35000 80.57000 -90.36000 9.55000 37.14000 91.76000 0.00000 0.00000 0.00000 2.70000 18.95000 0.00000 -2.50000 0.00000 -0.09000 0.00000 0.00000 65.00000 BUD14_1CKB-8_12.PDB 8.15000 -40.46000 -12.35000 -68.71000 -1.29000 80.34000 -90.32000 9.83000 36.95000 93.91000 0.00000 0.00000 0.00000 2.69000 18.93000 0.00000 -2.45000 0.00000 -0.01000 0.00000 0.00000 65.00000 BUD14_1CKB-8_13.PDB 6.12000 -39.53000 -14.00000 -68.70000 -1.67000 80.76000 -90.28000 10.08000 38.36000 90.75000 0.00000 0.00000 0.00000 2.89000 19.02000 0.00000 -2.28000 0.00000 -0.28000 0.00000 0.00000 65.00000 BUD14_1CKB-8_14.PDB 7.58000 -40.47000 -14.49000 -68.81000 -1.59000 80.77000 -90.33000 10.83000 38.45000 93.21000 0.00000 0.00000 0.00000 2.92000 18.96000 0.00000 -2.60000 0.00000 -0.30000 0.00000 0.00000 65.00000 BUD14_1CKB-8_15.PDB 6.12000 -40.69000 -12.19000 -69.85000 -2.23000 82.38000 -91.32000 9.80000 39.00000 91.36000 0.00000 0.00000 0.00000 2.87000 19.16000 0.00000 -2.49000 0.00000 -0.53000 0.00000 0.00000 65.00000 BUD14_1CKB-8_16.PDB 8.04000 -40.70000 -12.25000 -68.11000 -2.07000 81.30000 -89.11000 10.39000 38.23000 90.56000 0.00000 0.00000 0.00000 2.76000 19.13000 0.00000 -2.49000 0.00000 -0.47000 0.00000 0.00000 65.00000 BUD14_1CKB-8_17.PDB 6.50000 -41.62000 -14.89000 -69.90000 -2.14000 83.03000 -91.28000 10.59000 39.54000 93.44000 0.00000 0.00000 0.00000 2.92000 19.14000 0.00000 -2.66000 0.00000 -0.51000 0.00000 0.00000 65.00000 BUD14_1CKB-8_18.PDB 7.74000 -39.45000 -13.80000 -69.09000 -1.67000 81.16000 -90.40000 10.11000 38.67000 91.77000 0.00000 0.00000 0.00000 3.10000 19.07000 0.00000 -2.36000 0.00000 -0.30000 0.00000 0.00000 65.00000 BUD14_1CKB-8_19.PDB 7.35000 -41.63000 -13.14000 -69.90000 -2.05000 82.87000 -91.38000 10.01000 39.19000 93.45000 0.00000 0.00000 0.00000 2.82000 19.13000 0.00000 -2.38000 0.00000 -0.52000 0.00000 0.00000 65.00000 BUD14_1CKB-8_20.PDB 8.51000 -41.35000 -13.22000 -69.85000 -2.46000 82.52000 -91.65000 11.15000 39.40000 94.12000 0.00000 0.00000 0.00000 3.21000 18.97000 0.00000 -2.72000 0.00000 -0.64000 0.00000 0.00000 65.00000 BUD14_1CKB-8_21.PDB 5.65000 -41.70000 -14.71000 -69.46000 -2.18000 82.39000 -90.80000 9.90000 39.33000 93.42000 0.00000 0.00000 0.00000 2.93000 19.08000 0.00000 -2.94000 0.00000 -0.53000 0.00000 0.00000 65.00000 BUD14_1CKB-8_22.PDB 6.66000 -39.51000 -13.98000 -68.26000 -1.69000 80.57000 -89.55000 10.24000 38.23000 90.50000 0.00000 0.00000 0.00000 2.77000 19.00000 0.00000 -2.34000 0.00000 -0.33000 0.00000 0.00000 65.00000 BUD14_1CKB-8_23.PDB 8.69000 -41.33000 -13.22000 -69.60000 -2.30000 81.17000 -91.44000 13.10000 39.30000 93.33000 0.00000 0.00000 0.00000 3.20000 19.00000 0.00000 -2.89000 0.00000 -0.64000 0.00000 0.00000 65.00000 BUD14_1CKB-8_24.PDB 8.45000 -40.36000 -12.23000 -69.18000 -1.73000 81.13000 -90.78000 12.09000 38.80000 90.70000 0.00000 0.00000 0.00000 3.15000 19.02000 0.00000 -2.78000 0.00000 -0.36000 0.00000 0.00000 65.00000 BUD14_1CKB-8_25.PDB 15.75000 -39.53000 -12.86000 -70.05000 -1.24000 82.71000 -91.45000 18.12000 37.72000 91.62000 0.00000 0.00000 0.00000 3.24000 19.16000 0.00000 -2.35000 0.00000 -0.19000 0.00000 0.00000 65.00000 BUD14_1CKB-8_26.PDB 14.44000 -39.59000 -12.71000 -71.03000 -1.22000 83.21000 -92.61000 18.37000 37.60000 91.23000 0.00000 0.00000 0.00000 3.84000 19.31000 0.00000 -2.44000 0.00000 -0.19000 0.00000 0.00000 65.00000 BUD14_1CKB-8_27.PDB 7.48000 -41.33000 -14.91000 -69.94000 -1.90000 82.58000 -91.22000 10.73000 39.38000 93.92000 0.00000 0.00000 0.00000 3.33000 19.06000 0.00000 -2.72000 0.00000 -0.43000 0.00000 0.00000 65.00000 BUD14_1CKB-8_28.PDB 8.06000 -40.67000 -13.88000 -70.18000 -1.95000 84.10000 -91.01000 10.88000 39.42000 91.45000 0.00000 0.00000 0.00000 2.91000 19.13000 0.00000 -2.48000 0.00000 -0.52000 0.00000 0.00000 65.00000 BUD14_1CKB-8_29.PDB 16.75000 -40.48000 -15.47000 -69.79000 -1.65000 82.15000 -90.79000 19.26000 39.52000 94.23000 0.00000 0.00000 0.00000 2.93000 19.26000 0.00000 -2.62000 0.00000 -0.52000 0.00000 0.00000 65.00000 BUD14_1CKB-8_30.PDB 7.08000 -39.57000 -14.00000 -68.58000 -1.43000 81.31000 -89.83000 9.52000 38.33000 91.25000 0.00000 0.00000 0.00000 2.71000 18.94000 0.00000 -2.31000 0.00000 -0.32000 0.00000 0.00000 65.00000