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-12_1.PDB 7.08000 -41.60000 -15.74000 -64.99000 -2.89000 80.02000 -83.43000 8.86000 37.76000 89.96000 0.00000 0.00000 0.00000 2.51000 20.80000 0.00000 -1.91000 0.00000 -1.45000 0.00000 0.00000 65.00000 BUD14_1CKB-12_2.PDB 7.20000 -40.68000 -14.91000 -64.61000 -3.44000 79.18000 -83.26000 8.90000 37.04000 90.15000 0.00000 0.00000 0.00000 2.42000 20.56000 0.00000 -2.17000 0.00000 -1.42000 0.00000 0.00000 65.00000 BUD14_1CKB-12_3.PDB 5.64000 -40.43000 -16.58000 -64.54000 -2.99000 78.58000 -83.22000 8.49000 37.74000 89.17000 0.00000 0.00000 0.00000 2.63000 20.45000 0.00000 -2.08000 0.00000 -1.13000 0.00000 0.00000 65.00000 BUD14_1CKB-12_4.PDB 6.53000 -42.33000 -17.32000 -64.87000 -3.52000 80.95000 -83.51000 8.85000 38.58000 90.93000 0.00000 0.00000 0.00000 2.50000 20.64000 0.00000 -2.28000 0.00000 -1.45000 0.00000 0.00000 65.00000 BUD14_1CKB-12_5.PDB 7.32000 -41.62000 -15.82000 -64.95000 -2.78000 80.03000 -83.39000 8.88000 37.72000 90.05000 0.00000 0.00000 0.00000 2.54000 20.83000 0.00000 -1.90000 0.00000 -1.44000 0.00000 0.00000 65.00000 BUD14_1CKB-12_6.PDB 6.51000 -40.43000 -14.63000 -64.24000 -2.95000 78.08000 -82.89000 8.70000 36.68000 89.63000 0.00000 0.00000 0.00000 2.11000 20.64000 0.00000 -2.19000 0.00000 -1.35000 0.00000 0.00000 65.00000 BUD14_1CKB-12_7.PDB 6.96000 -40.65000 -15.56000 -64.77000 -3.58000 79.39000 -83.40000 8.78000 37.51000 90.22000 0.00000 0.00000 0.00000 2.49000 20.60000 0.00000 -2.04000 0.00000 -1.44000 0.00000 0.00000 65.00000 BUD14_1CKB-12_8.PDB 7.09000 -41.50000 -15.59000 -65.15000 -3.05000 80.16000 -83.82000 8.94000 37.91000 90.26000 0.00000 0.00000 0.00000 2.47000 20.82000 0.00000 -2.07000 0.00000 -1.47000 0.00000 0.00000 65.00000 BUD14_1CKB-12_9.PDB 7.05000 -40.70000 -15.73000 -64.90000 -3.53000 79.42000 -83.76000 9.20000 37.79000 90.56000 0.00000 0.00000 0.00000 2.44000 20.59000 0.00000 -2.28000 0.00000 -1.45000 0.00000 0.00000 65.00000 BUD14_1CKB-12_10.PDB 7.06000 -41.68000 -15.77000 -65.03000 -2.78000 80.00000 -83.54000 9.00000 37.68000 90.04000 0.00000 0.00000 0.00000 2.48000 20.83000 0.00000 -1.90000 0.00000 -1.45000 0.00000 0.00000 65.00000 BUD14_1CKB-12_11.PDB 6.47000 -40.47000 -14.64000 -64.28000 -2.93000 78.16000 -83.00000 8.75000 36.71000 89.58000 0.00000 0.00000 0.00000 2.11000 20.62000 0.00000 -2.18000 0.00000 -1.35000 0.00000 0.00000 65.00000 BUD14_1CKB-12_12.PDB 5.47000 -41.64000 -17.66000 -65.16000 -3.42000 80.69000 -83.66000 9.18000 37.79000 90.58000 0.00000 0.00000 0.00000 2.46000 20.63000 0.00000 -2.18000 0.00000 -1.50000 0.00000 0.00000 65.00000 BUD14_1CKB-12_13.PDB 6.15000 -40.35000 -14.57000 -64.34000 -2.93000 78.46000 -82.90000 8.74000 36.64000 88.69000 0.00000 0.00000 0.00000 2.19000 20.65000 0.00000 -2.08000 0.00000 -1.40000 0.00000 0.00000 65.00000 BUD14_1CKB-12_14.PDB 6.20000 -40.58000 -16.37000 -65.52000 -2.91000 80.06000 -84.16000 8.52000 38.00000 90.08000 0.00000 0.00000 0.00000 2.56000 20.75000 0.00000 -2.00000 0.00000 -1.49000 0.00000 0.00000 65.00000 BUD14_1CKB-12_15.PDB 8.47000 -41.60000 -15.72000 -64.80000 -2.85000 80.47000 -82.82000 8.68000 37.63000 90.45000 0.00000 0.00000 0.00000 2.51000 20.84000 0.00000 -2.07000 0.00000 -1.42000 0.00000 0.00000 65.00000 BUD14_1CKB-12_16.PDB 5.41000 -39.66000 -15.68000 -65.01000 -3.03000 79.30000 -83.70000 9.20000 36.90000 88.70000 0.00000 0.00000 0.00000 2.12000 20.62000 0.00000 -2.28000 0.00000 -1.43000 0.00000 0.00000 65.00000 BUD14_1CKB-12_17.PDB 6.99000 -40.65000 -15.57000 -64.73000 -3.68000 79.28000 -83.53000 8.86000 37.63000 90.52000 0.00000 0.00000 0.00000 2.49000 20.58000 0.00000 -2.16000 0.00000 -1.46000 0.00000 0.00000 65.00000 BUD14_1CKB-12_18.PDB 6.38000 -40.47000 -14.71000 -64.31000 -2.93000 78.14000 -83.06000 8.76000 36.69000 89.65000 0.00000 0.00000 0.00000 2.19000 20.64000 0.00000 -2.18000 0.00000 -1.40000 0.00000 0.00000 65.00000 BUD14_1CKB-12_19.PDB 7.16000 -41.46000 -18.74000 -64.78000 -3.42000 80.88000 -82.88000 9.24000 37.70000 91.86000 0.00000 0.00000 0.00000 2.45000 20.67000 0.00000 -2.26000 0.00000 -1.42000 0.00000 0.00000 65.00000 BUD14_1CKB-12_20.PDB 7.25000 -43.11000 -19.00000 -65.25000 -3.03000 82.08000 -83.46000 9.11000 38.79000 92.31000 0.00000 0.00000 0.00000 2.55000 20.73000 0.00000 -2.38000 0.00000 -1.37000 0.00000 0.00000 65.00000 BUD14_1CKB-12_21.PDB 6.79000 -40.47000 -14.51000 -64.45000 -3.09000 78.16000 -83.39000 8.77000 36.88000 90.09000 0.00000 0.00000 0.00000 2.24000 20.64000 0.00000 -2.01000 0.00000 -1.43000 0.00000 0.00000 65.00000 BUD14_1CKB-12_22.PDB 7.89000 -41.68000 -18.13000 -65.42000 -2.86000 80.73000 -83.58000 9.51000 37.90000 92.34000 0.00000 0.00000 0.00000 2.76000 20.80000 0.00000 -2.21000 0.00000 -1.48000 0.00000 0.00000 65.00000 BUD14_1CKB-12_23.PDB 7.10000 -40.65000 -17.31000 -64.60000 -2.94000 79.62000 -82.82000 9.33000 36.60000 91.09000 0.00000 0.00000 0.00000 2.16000 20.67000 0.00000 -1.99000 0.00000 -1.39000 0.00000 0.00000 65.00000 BUD14_1CKB-12_24.PDB 6.66000 -41.45000 -18.71000 -64.72000 -3.36000 80.55000 -83.05000 9.15000 37.70000 91.76000 0.00000 0.00000 0.00000 2.54000 20.64000 0.00000 -2.35000 0.00000 -1.41000 0.00000 0.00000 65.00000 BUD14_1CKB-12_25.PDB 8.95000 -42.21000 -16.46000 -64.79000 -2.80000 81.00000 -83.15000 8.79000 37.98000 91.30000 0.00000 0.00000 0.00000 2.62000 20.79000 0.00000 -1.95000 0.00000 -1.37000 0.00000 0.00000 65.00000 BUD14_1CKB-12_26.PDB 7.45000 -41.75000 -18.38000 -64.87000 -3.38000 81.06000 -82.89000 9.27000 37.59000 91.68000 0.00000 0.00000 0.00000 2.57000 20.69000 0.00000 -2.03000 0.00000 -1.41000 0.00000 0.00000 65.00000 BUD14_1CKB-12_27.PDB 5.34000 -40.66000 -14.78000 -66.15000 -3.12000 79.50000 -85.44000 9.50000 37.94000 89.47000 0.00000 0.00000 0.00000 2.41000 20.83000 0.00000 -1.97000 0.00000 -1.35000 0.00000 0.00000 65.00000 BUD14_1CKB-12_28.PDB 7.72000 -41.46000 -18.07000 -65.18000 -2.94000 80.51000 -83.48000 9.43000 37.69000 92.14000 0.00000 0.00000 0.00000 2.56000 20.75000 0.00000 -2.03000 0.00000 -1.45000 0.00000 0.00000 65.00000 BUD14_1CKB-12_29.PDB 7.73000 -41.41000 -18.81000 -65.01000 -3.49000 81.36000 -83.32000 9.16000 38.04000 92.22000 0.00000 0.00000 0.00000 2.51000 20.65000 0.00000 -2.08000 0.00000 -1.43000 0.00000 0.00000 65.00000 BUD14_1CKB-12_30.PDB 8.75000 -40.66000 -15.71000 -64.57000 -3.52000 79.65000 -83.02000 9.26000 37.49000 90.62000 0.00000 0.00000 0.00000 2.61000 20.61000 0.00000 -2.00000 0.00000 -1.40000 0.00000 0.00000 65.00000