name Intraclash total energy Backbone Hbond 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-28_1.PDB 6.77510 -9.52000 -2.59000 -4.98000 -9.71000 -1.28000 10.67000 -12.21000 1.59000 7.20000 3.26000 0.00000 0.00000 0.00000 0.23000 0.61000 0.00000 -0.84000 0.00000 -0.86000 0.00000 2.38000 67.00000 BUD14_1CKB-28_2.PDB 6.90461 -12.98000 -1.84000 -6.97000 -10.39000 -1.50000 10.74000 -13.44000 1.36000 8.10000 2.95000 0.00000 0.00000 0.00000 0.30000 0.83000 0.00000 -1.05000 0.00000 -1.23000 0.00000 2.38000 67.00000 BUD14_1CKB-28_3.PDB 5.96040 -11.03000 -1.72000 -5.67000 -10.22000 -1.27000 10.65000 -13.14000 1.41000 7.15000 3.38000 0.00000 0.00000 0.00000 0.16000 0.91000 0.00000 -0.81000 0.00000 -0.96000 0.00000 2.38000 67.00000 BUD14_1CKB-28_4.PDB 4.67962 -11.45000 -1.71000 -7.20000 -10.32000 -1.28000 10.45000 -12.88000 2.13000 8.06000 2.89000 0.00000 0.00000 0.00000 0.13000 1.06000 0.00000 -0.75000 0.00000 -0.96000 0.00000 2.38000 67.00000 BUD14_1CKB-28_5.PDB 5.68913 -13.60000 -1.74000 -7.51000 -10.34000 -1.33000 10.92000 -13.12000 1.40000 7.27000 2.76000 0.00000 0.00000 0.00000 0.15000 0.95000 0.00000 -1.02000 0.00000 -1.05000 0.00000 2.38000 67.00000 BUD14_1CKB-28_6.PDB 4.60248 -13.95000 -1.77000 -9.40000 -10.45000 -1.47000 11.57000 -12.97000 1.80000 7.98000 2.66000 0.00000 0.00000 0.00000 0.20000 1.05000 0.00000 -1.02000 0.00000 -1.09000 0.00000 2.38000 67.00000 BUD14_1CKB-28_7.PDB 5.83247 -12.28000 -2.53000 -5.88000 -9.61000 -3.12000 11.39000 -11.78000 1.55000 7.00000 3.44000 0.00000 0.00000 0.00000 0.05000 0.85000 0.00000 -1.23000 0.00000 -1.59000 0.00000 2.38000 67.00000 BUD14_1CKB-28_8.PDB 4.74875 -11.81000 -1.75000 -7.36000 -10.13000 -1.40000 10.82000 -13.04000 2.76000 7.25000 2.91000 0.00000 0.00000 0.00000 0.14000 0.86000 0.00000 -0.96000 0.00000 -1.06000 0.00000 2.38000 67.00000 BUD14_1CKB-28_9.PDB 7.37656 -12.74000 -1.78000 -8.31000 -9.55000 -1.81000 11.77000 -11.36000 0.89000 7.37000 1.98000 0.00000 0.00000 0.00000 0.15000 1.12000 0.00000 -0.93000 0.00000 -1.16000 0.00000 2.38000 67.00000 BUD14_1CKB-28_10.PDB 4.67116 -12.20000 -2.55000 -8.04000 -9.83000 -2.76000 12.10000 -11.76000 2.10000 8.28000 3.03000 0.00000 0.00000 0.00000 0.04000 0.75000 0.00000 -1.44000 0.00000 -1.37000 0.00000 2.38000 67.00000 BUD14_1CKB-28_11.PDB 6.18955 -11.05000 -2.42000 -5.08000 -10.06000 -1.75000 11.60000 -12.52000 0.65000 7.23000 3.36000 0.00000 0.00000 0.00000 0.20000 0.64000 0.00000 -0.98000 0.00000 -1.27000 0.00000 2.38000 67.00000 BUD14_1CKB-28_12.PDB 5.16641 -10.83000 -2.51000 -7.86000 -10.63000 -1.41000 13.18000 -13.03000 1.25000 8.02000 3.29000 0.00000 0.00000 0.00000 0.22000 0.98000 0.00000 -0.47000 0.00000 -0.89000 0.00000 2.38000 67.00000 BUD14_1CKB-28_13.PDB 5.15630 -9.18000 -2.55000 -6.75000 -10.76000 -1.72000 12.73000 -12.71000 2.92000 7.94000 3.31000 0.00000 0.00000 0.00000 0.26000 0.97000 0.00000 -0.82000 0.00000 -1.03000 0.00000 2.38000 67.00000 BUD14_1CKB-28_14.PDB 4.38190 -11.99000 -2.62000 -7.61000 -9.78000 -2.58000 12.01000 -11.75000 1.76000 7.66000 3.30000 0.00000 0.00000 0.00000 0.12000 0.83000 0.00000 -1.22000 0.00000 -1.27000 0.00000 2.38000 67.00000 BUD14_1CKB-28_15.PDB 6.10294 -10.89000 -1.77000 -7.29000 -9.44000 -1.25000 10.79000 -11.70000 0.97000 8.36000 2.50000 0.00000 0.00000 0.00000 0.10000 0.75000 0.00000 -1.01000 0.00000 -1.15000 0.00000 2.38000 67.00000 BUD14_1CKB-28_16.PDB 4.61419 -8.89000 -1.76000 -7.96000 -10.43000 -1.18000 12.03000 -13.08000 2.34000 8.95000 3.39000 0.00000 0.00000 0.00000 0.11000 0.89000 0.00000 -0.37000 0.00000 -0.94000 0.00000 2.38000 67.00000 BUD14_1CKB-28_17.PDB 6.19058 -11.69000 -1.74000 -8.82000 -9.76000 -1.19000 11.26000 -11.61000 1.06000 8.29000 2.40000 0.00000 0.00000 0.00000 0.18000 0.91000 0.00000 -0.84000 0.00000 -0.91000 0.00000 2.38000 67.00000 BUD14_1CKB-28_18.PDB 5.73205 -9.61000 -2.54000 -5.07000 -9.73000 -1.31000 11.03000 -11.90000 1.78000 7.13000 2.60000 0.00000 0.00000 0.00000 0.30000 1.10000 0.00000 -1.06000 0.00000 -0.85000 0.00000 2.38000 67.00000 BUD14_1CKB-28_19.PDB 3.90565 -10.15000 -1.79000 -6.01000 -9.81000 -1.47000 10.25000 -12.36000 0.96000 8.60000 3.20000 0.00000 0.00000 0.00000 0.04000 0.86000 0.00000 -0.66000 0.00000 -1.09000 0.00000 2.38000 67.00000 BUD14_1CKB-28_20.PDB 5.52669 -9.98000 -2.58000 -6.33000 -9.71000 -2.82000 12.37000 -11.77000 1.30000 7.96000 3.44000 0.00000 0.00000 0.00000 0.11000 0.90000 0.00000 -0.70000 0.00000 -1.26000 0.00000 2.38000 67.00000 BUD14_1CKB-28_21.PDB 5.89576 -9.80000 -2.68000 -5.14000 -9.34000 -1.99000 10.51000 -11.60000 2.40000 6.83000 3.08000 0.00000 0.00000 0.00000 0.10000 0.90000 0.00000 -0.58000 0.00000 -1.38000 0.00000 2.38000 67.00000 BUD14_1CKB-28_22.PDB 4.91276 -9.38000 -2.46000 -3.42000 -10.98000 -2.86000 12.50000 -13.32000 2.31000 7.52000 3.05000 0.00000 0.00000 0.00000 0.12000 1.05000 0.00000 -0.47000 0.00000 -1.37000 0.00000 2.38000 67.00000 BUD14_1CKB-28_23.PDB 5.58914 -11.88000 -2.56000 -6.67000 -10.05000 -1.73000 12.38000 -12.21000 0.91000 7.34000 2.59000 0.00000 0.00000 0.00000 0.17000 0.74000 0.00000 -0.87000 0.00000 -1.16000 0.00000 2.38000 67.00000 BUD14_1CKB-28_24.PDB 4.81413 -11.32000 -1.61000 -6.92000 -9.70000 -1.31000 10.58000 -12.29000 2.95000 6.87000 2.07000 0.00000 0.00000 0.00000 0.16000 0.94000 0.00000 -1.17000 0.00000 -0.93000 0.00000 2.38000 67.00000 BUD14_1CKB-28_25.PDB 6.21637 -11.58000 -0.88000 -6.38000 -9.06000 -1.26000 9.59000 -11.75000 0.86000 7.08000 1.75000 0.00000 0.00000 0.00000 0.08000 0.58000 0.00000 -0.50000 0.00000 -1.12000 0.00000 2.38000 67.00000 BUD14_1CKB-28_26.PDB 4.84880 -10.09000 -2.51000 -8.42000 -10.42000 -1.69000 12.37000 -12.29000 2.87000 8.39000 3.20000 0.00000 0.00000 0.00000 0.24000 0.99000 0.00000 -0.80000 0.00000 -1.02000 0.00000 2.38000 67.00000 BUD14_1CKB-28_27.PDB 5.56432 -10.14000 -2.43000 -3.37000 -9.94000 -1.56000 11.46000 -12.27000 1.08000 6.27000 2.37000 0.00000 0.00000 0.00000 0.19000 0.81000 0.00000 -0.99000 0.00000 -0.95000 0.00000 2.38000 67.00000 BUD14_1CKB-28_28.PDB 6.05783 -12.18000 -1.68000 -6.61000 -9.88000 -0.58000 10.57000 -12.93000 1.30000 6.37000 2.63000 0.00000 0.00000 0.00000 0.20000 0.89000 0.00000 -0.98000 0.00000 -0.60000 0.00000 2.38000 67.00000 BUD14_1CKB-28_29.PDB 6.39886 -10.82000 -1.80000 -8.32000 -10.03000 -1.21000 11.73000 -12.16000 0.81000 9.20000 2.90000 0.00000 0.00000 0.00000 0.10000 1.01000 0.00000 -1.02000 0.00000 -1.01000 0.00000 2.38000 67.00000 BUD14_1CKB-28_30.PDB 4.05529 -10.32000 -2.85000 -5.41000 -10.05000 -2.37000 11.90000 -11.99000 1.98000 7.53000 3.33000 0.00000 0.00000 0.00000 0.09000 1.18000 0.00000 -0.92000 0.00000 -1.57000 0.00000 2.38000 67.00000