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-17_1.PDB 2.98704 -10.70000 -2.84000 -2.82000 -10.26000 -0.35000 9.38000 -14.22000 1.80000 5.13000 4.29000 0.00000 0.00000 0.00000 0.04000 1.02000 0.00000 -0.69000 0.00000 -0.14000 0.00000 2.38000 66.00000 BUD14_1CKA-17_2.PDB 2.75870 -9.99000 -2.88000 -2.87000 -10.27000 -0.21000 9.69000 -14.05000 1.64000 5.49000 4.01000 0.00000 0.00000 0.00000 0.02000 0.63000 0.00000 -0.49000 0.00000 -0.07000 0.00000 2.38000 66.00000 BUD14_1CKA-17_3.PDB 3.26850 -11.36000 -2.87000 -2.91000 -10.70000 -0.26000 9.60000 -14.72000 1.44000 5.68000 4.05000 0.00000 0.00000 0.00000 0.08000 0.69000 0.00000 -0.62000 0.00000 -0.12000 0.00000 2.38000 66.00000 BUD14_1CKA-17_4.PDB 2.96635 -10.60000 -2.85000 -2.85000 -9.73000 -0.21000 9.02000 -13.26000 1.78000 4.82000 3.14000 0.00000 0.00000 0.00000 0.02000 0.48000 0.00000 -0.44000 0.00000 -0.04000 0.00000 2.38000 66.00000 BUD14_1CKA-17_5.PDB 2.88128 -10.93000 -2.96000 -2.95000 -9.56000 -0.35000 8.83000 -13.06000 1.43000 4.77000 3.60000 0.00000 0.00000 0.00000 0.04000 0.59000 0.00000 -0.58000 0.00000 -0.14000 0.00000 2.38000 66.00000 BUD14_1CKA-17_6.PDB 2.89136 -9.55000 -3.84000 -3.75000 -9.60000 -0.36000 9.37000 -12.92000 1.86000 5.61000 4.77000 0.00000 0.00000 0.00000 0.03000 0.88000 0.00000 -0.62000 0.00000 -0.11000 0.00000 2.38000 66.00000 BUD14_1CKA-17_7.PDB 2.93540 -9.94000 -3.81000 -3.74000 -9.51000 -0.31000 9.09000 -12.79000 1.51000 5.65000 4.71000 0.00000 0.00000 0.00000 0.03000 0.87000 0.00000 -0.66000 0.00000 -0.10000 0.00000 2.38000 66.00000 BUD14_1CKA-17_8.PDB 2.72149 -10.38000 -2.91000 -2.91000 -9.78000 -0.26000 9.29000 -13.31000 1.76000 4.93000 3.49000 0.00000 0.00000 0.00000 0.03000 0.70000 0.00000 -0.56000 0.00000 -0.15000 0.00000 2.38000 66.00000 BUD14_1CKA-17_9.PDB 2.83473 -10.00000 -3.71000 -3.70000 -9.88000 -0.42000 9.71000 -13.26000 1.59000 5.81000 4.70000 0.00000 0.00000 0.00000 0.03000 0.77000 0.00000 -0.66000 0.00000 -0.21000 0.00000 2.38000 66.00000 BUD14_1CKA-17_10.PDB 3.00766 -11.61000 -2.91000 -3.61000 -10.18000 -1.25000 9.77000 -13.80000 1.65000 5.94000 4.21000 0.00000 0.00000 0.00000 0.09000 1.02000 0.00000 -0.60000 0.00000 -0.93000 0.00000 2.38000 66.00000 BUD14_1CKA-17_11.PDB 3.03068 -11.77000 -2.88000 -3.49000 -10.43000 -1.07000 10.04000 -14.13000 1.74000 6.01000 3.86000 0.00000 0.00000 0.00000 0.02000 0.76000 0.00000 -0.61000 0.00000 -0.83000 0.00000 2.38000 66.00000 BUD14_1CKA-17_12.PDB 2.99989 -10.78000 -2.91000 -2.93000 -10.13000 -0.35000 9.03000 -14.08000 1.89000 5.20000 4.26000 0.00000 0.00000 0.00000 0.03000 1.07000 0.00000 -0.64000 0.00000 -0.15000 0.00000 2.38000 66.00000 BUD14_1CKA-17_13.PDB 3.89713 -11.19000 -2.92000 -2.95000 -10.12000 -0.22000 9.30000 -14.01000 1.32000 5.18000 3.84000 0.00000 0.00000 0.00000 0.04000 0.77000 0.00000 -0.58000 0.00000 -0.07000 0.00000 2.38000 66.00000 BUD14_1CKA-17_14.PDB 3.07107 -12.82000 -2.92000 -5.62000 -10.72000 -1.83000 11.05000 -14.29000 2.30000 6.59000 4.44000 0.00000 0.00000 0.00000 0.05000 1.11000 0.00000 -0.69000 0.00000 -1.18000 0.00000 2.38000 66.00000 BUD14_1CKA-17_15.PDB 3.69483 -12.05000 -2.93000 -2.91000 -10.27000 -0.44000 9.09000 -14.35000 0.87000 5.41000 4.39000 0.00000 0.00000 0.00000 0.02000 1.01000 0.00000 -0.66000 0.00000 -0.27000 0.00000 2.38000 66.00000 BUD14_1CKA-17_16.PDB 2.90057 -9.99000 -3.80000 -3.80000 -8.92000 -0.35000 9.09000 -11.78000 1.49000 4.92000 3.84000 0.00000 0.00000 0.00000 0.02000 0.65000 0.00000 -0.60000 0.00000 -0.10000 0.00000 2.38000 66.00000 BUD14_1CKA-17_17.PDB 2.94680 -7.27000 -2.79000 -2.78000 -8.57000 -0.30000 8.30000 -11.30000 1.48000 4.81000 4.29000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.19000 0.00000 -0.23000 0.00000 2.38000 66.00000 BUD14_1CKA-17_18.PDB 4.05422 -8.84000 -1.99000 -1.97000 -9.86000 -0.34000 8.53000 -13.47000 0.97000 5.63000 4.17000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.25000 0.00000 -0.27000 0.00000 2.38000 66.00000 BUD14_1CKA-17_19.PDB 2.99042 -9.03000 -2.86000 -2.85000 -9.17000 -0.33000 8.49000 -12.17000 1.38000 5.65000 3.52000 0.00000 0.00000 0.00000 0.04000 0.57000 0.00000 -0.47000 0.00000 -0.27000 0.00000 2.38000 66.00000 BUD14_1CKA-17_20.PDB 3.39826 -10.33000 -2.95000 -2.93000 -9.91000 -0.34000 9.33000 -13.67000 1.26000 5.01000 4.55000 0.00000 0.00000 0.00000 0.02000 0.82000 0.00000 -0.55000 0.00000 -0.15000 0.00000 2.38000 66.00000 BUD14_1CKA-17_21.PDB 3.01833 -12.18000 -2.88000 -3.55000 -9.81000 -1.12000 9.78000 -13.12000 1.59000 5.41000 2.90000 0.00000 0.00000 0.00000 0.02000 0.74000 0.00000 -0.57000 0.00000 -0.84000 0.00000 2.38000 66.00000 BUD14_1CKA-17_22.PDB 4.28666 -10.59000 -2.91000 -2.88000 -10.26000 -0.16000 9.53000 -13.99000 0.86000 5.90000 3.86000 0.00000 0.00000 0.00000 0.04000 0.58000 0.00000 -0.53000 0.00000 -0.05000 0.00000 2.38000 66.00000 BUD14_1CKA-17_23.PDB 2.74262 -10.05000 -2.99000 -2.95000 -9.88000 -0.31000 9.24000 -13.70000 1.61000 4.93000 4.64000 0.00000 0.00000 0.00000 0.03000 0.82000 0.00000 -0.52000 0.00000 -0.15000 0.00000 2.38000 66.00000 BUD14_1CKA-17_24.PDB 3.04686 -11.65000 -2.94000 -2.89000 -9.58000 -0.33000 8.59000 -13.35000 1.49000 4.63000 3.47000 0.00000 0.00000 0.00000 0.03000 0.90000 0.00000 -0.63000 0.00000 -0.14000 0.00000 2.38000 66.00000 BUD14_1CKA-17_25.PDB 3.46762 -12.51000 -2.88000 -3.67000 -9.80000 -1.02000 9.72000 -13.09000 1.20000 5.44000 3.01000 0.00000 0.00000 0.00000 0.05000 0.52000 0.00000 -0.66000 0.00000 -0.79000 0.00000 2.38000 66.00000 BUD14_1CKA-17_26.PDB 4.02567 -11.83000 -3.76000 -4.48000 -9.51000 -1.15000 9.91000 -12.48000 0.60000 6.24000 4.33000 0.00000 0.00000 0.00000 0.03000 1.00000 0.00000 -0.73000 0.00000 -0.85000 0.00000 2.38000 66.00000 BUD14_1CKA-17_27.PDB 2.66552 -9.69000 -2.91000 -2.92000 -10.37000 -0.39000 9.75000 -14.04000 1.57000 5.84000 4.61000 0.00000 0.00000 0.00000 0.03000 0.76000 0.00000 -0.68000 0.00000 -0.20000 0.00000 2.38000 66.00000 BUD14_1CKA-17_28.PDB 3.84938 -12.13000 -2.92000 -2.88000 -9.66000 -0.18000 9.03000 -13.39000 0.62000 4.87000 3.02000 0.00000 0.00000 0.00000 0.03000 0.66000 0.00000 -0.60000 0.00000 -0.07000 0.00000 2.38000 66.00000 BUD14_1CKA-17_29.PDB 3.07907 -11.34000 -3.86000 -6.36000 -9.97000 -1.61000 11.11000 -12.72000 2.27000 6.83000 4.57000 0.00000 0.00000 0.00000 0.04000 1.20000 0.00000 -0.67000 0.00000 -0.97000 0.00000 2.38000 66.00000 BUD14_1CKA-17_30.PDB 2.94384 -10.05000 -3.79000 -3.77000 -9.78000 -0.34000 9.71000 -13.14000 1.68000 5.73000 4.50000 0.00000 0.00000 0.00000 0.02000 1.12000 0.00000 -0.73000 0.00000 -0.14000 0.00000 2.38000 66.00000