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_1CKA-15_1.PDB 2.71840 -7.13000 -0.02000 -2.29000 -9.12000 -0.81000 9.02000 -12.49000 0.36000 6.02000 3.13000 0.00000 0.00000 0.00000 0.07000 0.85000 0.00000 -0.26000 0.00000 -0.76000 0.00000 2.38000 66.00000 BUD14_1CKA-15_2.PDB 2.57127 -7.19000 -0.02000 -1.55000 -9.24000 -1.39000 8.92000 -12.64000 0.35000 6.00000 3.13000 0.00000 0.00000 0.00000 0.03000 0.73000 0.00000 -0.22000 0.00000 -0.55000 0.00000 2.38000 66.00000 BUD14_1CKA-15_3.PDB 2.60633 -6.13000 -0.02000 -0.07000 -8.07000 -0.96000 8.12000 -11.28000 0.29000 4.47000 2.49000 0.00000 0.00000 0.00000 0.04000 0.76000 0.00000 -0.27000 0.00000 -0.87000 0.00000 2.38000 66.00000 BUD14_1CKA-15_4.PDB 2.75072 -7.07000 -0.02000 -2.22000 -9.27000 -0.88000 9.38000 -12.54000 0.36000 5.98000 3.18000 0.00000 0.00000 0.00000 0.06000 0.70000 0.00000 -0.26000 0.00000 -0.83000 0.00000 2.38000 66.00000 BUD14_1CKA-15_5.PDB 2.88201 -7.33000 -0.02000 -2.43000 -9.47000 -0.75000 9.16000 -12.89000 0.49000 6.21000 3.24000 0.00000 0.00000 0.00000 0.07000 0.75000 0.00000 -0.21000 0.00000 -0.73000 0.00000 2.38000 66.00000 BUD14_1CKA-15_6.PDB 2.78372 -7.09000 -0.02000 -1.81000 -9.15000 -0.66000 8.86000 -12.57000 0.32000 5.81000 3.07000 0.00000 0.00000 0.00000 0.04000 0.60000 0.00000 -0.32000 0.00000 -0.66000 0.00000 2.38000 66.00000 BUD14_1CKA-15_7.PDB 3.02494 -7.58000 -0.02000 -2.46000 -8.53000 -1.38000 7.98000 -11.90000 0.40000 5.97000 3.20000 0.00000 0.00000 0.00000 0.03000 0.56000 0.00000 -0.30000 0.00000 -0.58000 0.00000 2.38000 66.00000 BUD14_1CKA-15_8.PDB 2.68056 -6.24000 -0.02000 -1.70000 -9.16000 -0.73000 9.19000 -12.42000 0.67000 5.80000 3.06000 0.00000 0.00000 0.00000 0.04000 0.79000 0.00000 -0.26000 0.00000 -0.71000 0.00000 2.38000 66.00000 BUD14_1CKA-15_9.PDB 2.87940 -7.15000 -0.02000 -2.58000 -8.38000 -1.30000 7.98000 -11.66000 0.33000 6.25000 3.15000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -0.46000 0.00000 -0.52000 0.00000 2.38000 66.00000 BUD14_1CKA-15_10.PDB 3.06189 -7.92000 -0.02000 -2.41000 -9.34000 -0.69000 8.74000 -12.92000 0.37000 6.03000 3.16000 0.00000 0.00000 0.00000 0.05000 0.83000 0.00000 -0.16000 0.00000 -0.74000 0.00000 2.38000 66.00000 BUD14_1CKA-15_11.PDB 2.75987 -7.35000 -0.02000 -2.30000 -8.26000 -0.34000 7.73000 -11.80000 0.33000 5.15000 3.07000 0.00000 0.00000 0.00000 0.05000 0.56000 0.00000 -0.43000 0.00000 -0.54000 0.00000 2.38000 66.00000 BUD14_1CKA-15_12.PDB 2.81300 -7.31000 -0.02000 -1.72000 -9.20000 -1.92000 8.87000 -12.35000 0.25000 6.56000 3.09000 0.00000 0.00000 0.00000 0.04000 0.54000 0.00000 -0.22000 0.00000 -0.71000 0.00000 2.38000 66.00000 BUD14_1CKA-15_13.PDB 2.99697 -6.89000 -0.02000 -1.81000 -9.43000 -1.62000 9.77000 -12.50000 0.30000 6.26000 3.19000 0.00000 0.00000 0.00000 0.04000 0.65000 0.00000 -0.50000 0.00000 -0.57000 0.00000 2.38000 66.00000 BUD14_1CKA-15_14.PDB 3.73894 -7.84000 -0.02000 -1.36000 -8.77000 -1.11000 8.26000 -12.19000 0.42000 5.27000 2.60000 0.00000 0.00000 0.00000 0.08000 0.79000 0.00000 -0.22000 0.00000 -0.81000 0.00000 2.38000 66.00000 BUD14_1CKA-15_15.PDB 2.57064 -6.21000 -0.02000 -0.09000 -7.90000 -0.95000 7.85000 -11.20000 0.32000 4.34000 2.43000 0.00000 0.00000 0.00000 0.04000 0.80000 0.00000 -0.14000 0.00000 -0.88000 0.00000 2.38000 66.00000 BUD14_1CKA-15_16.PDB 2.76897 -7.86000 -0.02000 -2.27000 -8.87000 -1.20000 8.58000 -12.37000 0.31000 6.05000 2.89000 0.00000 0.00000 0.00000 0.05000 0.66000 0.00000 -0.20000 0.00000 -0.83000 0.00000 2.38000 66.00000 BUD14_1CKA-15_17.PDB 2.82546 -5.39000 -0.02000 -0.51000 -7.92000 -0.84000 8.23000 -10.71000 0.31000 4.52000 2.50000 0.00000 0.00000 0.00000 0.04000 0.73000 0.00000 -0.21000 0.00000 -0.78000 0.00000 2.38000 66.00000 BUD14_1CKA-15_18.PDB 2.80088 -6.02000 -0.02000 -2.22000 -9.14000 -0.75000 9.38000 -12.17000 0.43000 6.09000 3.21000 0.00000 0.00000 0.00000 0.03000 0.79000 0.00000 -0.16000 0.00000 -0.69000 0.00000 2.38000 66.00000 BUD14_1CKA-15_19.PDB 2.76803 -7.70000 -0.02000 -2.26000 -8.43000 -0.64000 7.75000 -12.05000 0.46000 5.41000 2.95000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -0.38000 0.00000 -0.58000 0.00000 2.38000 66.00000 BUD14_1CKA-15_20.PDB 2.50044 -6.99000 -0.02000 -1.69000 -9.14000 -0.70000 8.69000 -12.69000 0.46000 5.73000 3.19000 0.00000 0.00000 0.00000 0.05000 0.72000 0.00000 -0.16000 0.00000 -0.71000 0.00000 2.38000 66.00000 BUD14_1CKA-15_21.PDB 2.68900 -7.51000 -0.02000 -2.58000 -9.30000 -1.73000 9.62000 -12.73000 0.45000 6.45000 3.30000 0.00000 0.00000 0.00000 0.04000 0.79000 0.00000 -0.31000 0.00000 -0.71000 0.00000 2.38000 66.00000 BUD14_1CKA-15_22.PDB 2.75303 -7.18000 -0.02000 -2.24000 -8.82000 -1.61000 8.57000 -12.07000 0.39000 6.10000 3.27000 0.00000 0.00000 0.00000 0.03000 0.48000 0.00000 -0.18000 0.00000 -0.60000 0.00000 2.38000 66.00000 BUD14_1CKA-15_23.PDB 2.87128 -7.41000 -0.02000 -2.24000 -9.08000 -0.74000 8.74000 -12.61000 0.49000 5.88000 3.06000 0.00000 0.00000 0.00000 0.05000 0.80000 0.00000 -0.21000 0.00000 -0.74000 0.00000 2.38000 66.00000 BUD14_1CKA-15_24.PDB 2.76356 -5.42000 -0.02000 -1.92000 -9.16000 -0.64000 9.49000 -12.07000 0.34000 5.89000 3.46000 0.00000 0.00000 0.00000 0.03000 0.84000 0.00000 -0.18000 0.00000 -0.65000 0.00000 2.38000 66.00000 BUD14_1CKA-15_25.PDB 3.03652 -7.91000 -0.02000 -2.47000 -8.36000 -1.35000 7.57000 -11.83000 0.41000 5.75000 3.10000 0.00000 0.00000 0.00000 0.04000 0.57000 0.00000 -0.19000 0.00000 -0.56000 0.00000 2.38000 66.00000 BUD14_1CKA-15_26.PDB 2.67801 -6.57000 -0.02000 -2.27000 -8.73000 -0.78000 8.49000 -12.00000 0.50000 5.76000 3.34000 0.00000 0.00000 0.00000 0.04000 0.47000 0.00000 -0.24000 0.00000 -0.67000 0.00000 2.38000 66.00000 BUD14_1CKA-15_27.PDB 3.06862 -6.86000 -0.02000 -2.18000 -9.89000 -1.44000 10.23000 -12.94000 0.63000 6.51000 3.28000 0.00000 0.00000 0.00000 0.10000 0.79000 0.00000 -0.33000 0.00000 -0.83000 0.00000 2.38000 66.00000 BUD14_1CKA-15_28.PDB 2.65275 -4.73000 -0.02000 -2.01000 -7.38000 -1.18000 8.39000 -9.59000 0.14000 5.09000 2.81000 0.00000 0.00000 0.00000 0.03000 0.71000 0.00000 -0.25000 0.00000 -0.77000 0.00000 2.38000 66.00000 BUD14_1CKA-15_29.PDB 2.63337 -7.13000 -0.02000 -2.40000 -8.35000 -0.42000 7.95000 -11.84000 0.34000 5.36000 3.14000 0.00000 0.00000 0.00000 0.05000 0.58000 0.00000 -0.33000 0.00000 -0.61000 0.00000 2.38000 66.00000 BUD14_1CKA-15_30.PDB 2.59830 -4.72000 -0.02000 -2.17000 -6.47000 -0.67000 7.05000 -8.86000 0.09000 4.38000 2.89000 0.00000 0.00000 0.00000 0.01000 0.47000 0.00000 -0.36000 0.00000 -0.60000 0.00000 2.38000 66.00000