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-25_1.PDB 5.39881 -6.59000 -0.98000 -0.94000 -9.46000 -1.49000 8.06000 -13.08000 3.98000 5.84000 3.15000 0.00000 0.00000 0.00000 0.20000 1.01000 0.00000 -0.70000 0.00000 -1.17000 0.00000 2.38000 66.00000 BUD14_1CKA-25_2.PDB 3.51587 -7.41000 -0.96000 -1.16000 -9.99000 -1.03000 7.92000 -13.91000 4.65000 5.66000 2.78000 0.00000 0.00000 0.00000 0.13000 0.78000 0.00000 -0.57000 0.00000 -0.93000 0.00000 2.38000 66.00000 BUD14_1CKA-25_3.PDB 3.15775 -9.79000 -0.93000 -1.23000 -10.43000 -1.12000 8.26000 -14.77000 2.97000 5.92000 2.84000 0.00000 0.00000 0.00000 0.22000 0.67000 0.00000 -0.55000 0.00000 -0.98000 0.00000 2.38000 66.00000 BUD14_1CKA-25_4.PDB 2.97286 -9.39000 -1.00000 -1.25000 -9.83000 -1.14000 7.95000 -13.99000 2.88000 5.82000 2.69000 0.00000 0.00000 0.00000 0.15000 0.82000 0.00000 -0.63000 0.00000 -1.04000 0.00000 2.38000 66.00000 BUD14_1CKA-25_5.PDB 3.21585 -8.68000 -0.95000 -1.24000 -9.91000 -1.15000 7.52000 -14.15000 4.46000 5.72000 2.54000 0.00000 0.00000 0.00000 0.13000 0.81000 0.00000 -0.62000 0.00000 -1.02000 0.00000 2.38000 66.00000 BUD14_1CKA-25_6.PDB 3.61073 -9.59000 -1.01000 -1.44000 -10.04000 -1.37000 7.12000 -14.34000 4.68000 5.85000 2.36000 0.00000 0.00000 0.00000 0.15000 0.74000 0.00000 -0.46000 0.00000 -1.10000 0.00000 2.38000 66.00000 BUD14_1CKA-25_7.PDB 3.00663 -7.52000 -0.98000 -0.92000 -9.39000 -1.36000 7.96000 -12.95000 2.84000 6.11000 2.89000 0.00000 0.00000 0.00000 0.12000 0.73000 0.00000 -0.67000 0.00000 -1.16000 0.00000 2.38000 66.00000 BUD14_1CKA-25_8.PDB 3.60821 -6.59000 -0.96000 -0.90000 -9.77000 -0.46000 7.28000 -13.72000 4.50000 5.79000 2.84000 0.00000 0.00000 0.00000 0.11000 0.87000 0.00000 -0.66000 0.00000 -0.63000 0.00000 2.38000 66.00000 BUD14_1CKA-25_9.PDB 4.88328 -7.85000 -0.98000 -1.33000 -9.89000 -1.16000 7.97000 -13.69000 3.49000 6.49000 2.84000 0.00000 0.00000 0.00000 0.13000 0.76000 0.00000 -0.64000 0.00000 -1.08000 0.00000 2.38000 66.00000 BUD14_1CKA-25_10.PDB 3.06197 -9.02000 -0.98000 -1.25000 -9.88000 -1.22000 7.71000 -13.89000 3.15000 6.12000 2.74000 0.00000 0.00000 0.00000 0.16000 0.88000 0.00000 -0.67000 0.00000 -1.01000 0.00000 2.38000 66.00000 BUD14_1CKA-25_11.PDB 4.81190 -7.87000 -0.98000 -0.93000 -8.82000 -1.55000 7.68000 -12.01000 2.94000 5.50000 2.36000 0.00000 0.00000 0.00000 0.05000 0.72000 0.00000 -0.71000 0.00000 -1.40000 0.00000 2.38000 66.00000 BUD14_1CKA-25_12.PDB 3.81391 -7.34000 -0.85000 -1.50000 -9.62000 -0.84000 7.54000 -13.63000 4.32000 5.75000 2.71000 0.00000 0.00000 0.00000 0.21000 0.60000 0.00000 -0.64000 0.00000 -0.78000 0.00000 2.38000 66.00000 BUD14_1CKA-25_13.PDB 3.70874 -6.08000 -0.95000 -0.88000 -10.12000 -0.50000 7.56000 -14.36000 5.64000 5.66000 2.83000 0.00000 0.00000 0.00000 0.22000 1.08000 0.00000 -0.70000 0.00000 -0.49000 0.00000 2.38000 66.00000 BUD14_1CKA-25_14.PDB 4.82157 -4.28000 -0.98000 -0.93000 -8.50000 -1.27000 7.57000 -11.76000 5.12000 5.22000 2.94000 0.00000 0.00000 0.00000 0.15000 0.89000 0.00000 -0.83000 0.00000 -1.00000 0.00000 2.38000 66.00000 BUD14_1CKA-25_15.PDB 3.59203 -7.70000 -0.91000 -1.12000 -10.27000 -1.16000 7.94000 -14.44000 4.85000 6.09000 2.82000 0.00000 0.00000 0.00000 0.17000 0.89000 0.00000 -0.64000 0.00000 -1.02000 0.00000 2.38000 66.00000 BUD14_1CKA-25_16.PDB 3.95592 -6.00000 -0.96000 -0.88000 -9.89000 -0.41000 7.27000 -14.22000 5.56000 5.74000 2.58000 0.00000 0.00000 0.00000 0.31000 0.79000 0.00000 -0.53000 0.00000 -0.56000 0.00000 2.38000 66.00000 BUD14_1CKA-25_17.PDB 3.20823 -7.77000 -1.00000 -0.92000 -9.11000 -1.37000 8.09000 -12.34000 2.72000 5.57000 2.44000 0.00000 0.00000 0.00000 0.04000 0.78000 0.00000 -0.62000 0.00000 -1.28000 0.00000 2.38000 66.00000 BUD14_1CKA-25_18.PDB 3.60301 -6.30000 -0.95000 -0.88000 -8.97000 -1.78000 8.14000 -12.14000 4.13000 5.73000 2.69000 0.00000 0.00000 0.00000 0.06000 0.73000 0.00000 -0.81000 0.00000 -1.51000 0.00000 2.38000 66.00000 BUD14_1CKA-25_19.PDB 3.49889 -7.45000 -0.95000 -0.88000 -9.64000 -1.04000 7.37000 -13.57000 4.52000 5.49000 2.69000 0.00000 0.00000 0.00000 0.16000 0.81000 0.00000 -0.56000 0.00000 -1.05000 0.00000 2.38000 66.00000 BUD14_1CKA-25_20.PDB 3.85331 -7.46000 -0.95000 -1.19000 -10.06000 -1.14000 8.22000 -14.12000 4.62000 6.35000 2.72000 0.00000 0.00000 0.00000 0.14000 0.81000 0.00000 -0.98000 0.00000 -1.06000 0.00000 2.38000 66.00000 BUD14_1CKA-25_21.PDB 4.58466 -8.01000 -0.97000 -1.31000 -8.67000 -1.12000 7.01000 -12.27000 2.88000 5.33000 2.80000 0.00000 0.00000 0.00000 0.12000 0.61000 0.00000 -0.75000 0.00000 -1.06000 0.00000 2.38000 66.00000 BUD14_1CKA-25_22.PDB 3.47325 -8.02000 -0.95000 -0.88000 -9.92000 -1.16000 7.53000 -14.14000 4.84000 5.67000 2.54000 0.00000 0.00000 0.00000 0.14000 0.76000 0.00000 -0.64000 0.00000 -1.03000 0.00000 2.38000 66.00000 BUD14_1CKA-25_23.PDB 3.09922 -8.26000 -0.98000 -1.32000 -8.90000 -1.56000 7.85000 -12.27000 2.86000 5.76000 2.28000 0.00000 0.00000 0.00000 0.07000 0.70000 0.00000 -0.71000 0.00000 -1.35000 0.00000 2.38000 66.00000 BUD14_1CKA-25_24.PDB 4.66252 -9.12000 -0.98000 -1.55000 -9.53000 -1.49000 7.72000 -13.28000 2.84000 6.18000 2.78000 0.00000 0.00000 0.00000 0.05000 0.83000 0.00000 -0.71000 0.00000 -1.16000 0.00000 2.38000 66.00000 BUD14_1CKA-25_25.PDB 5.13683 -6.39000 -0.99000 -0.96000 -8.20000 -0.94000 6.71000 -11.52000 3.59000 4.75000 2.59000 0.00000 0.00000 0.00000 0.13000 0.69000 0.00000 -0.69000 0.00000 -0.88000 0.00000 2.38000 66.00000 BUD14_1CKA-25_26.PDB 3.38106 -8.78000 -0.98000 -1.35000 -9.37000 -1.35000 7.53000 -13.11000 2.70000 5.86000 2.97000 0.00000 0.00000 0.00000 0.14000 0.80000 0.00000 -0.61000 0.00000 -1.21000 0.00000 2.38000 66.00000 BUD14_1CKA-25_27.PDB 4.75596 -6.28000 -0.98000 -1.22000 -8.78000 -1.17000 7.54000 -12.08000 4.01000 5.20000 2.71000 0.00000 0.00000 0.00000 0.13000 0.85000 0.00000 -0.63000 0.00000 -1.01000 0.00000 2.38000 66.00000 BUD14_1CKA-25_28.PDB 3.59871 -7.64000 -0.91000 -0.85000 -9.47000 -0.48000 6.73000 -13.76000 4.43000 5.17000 2.44000 0.00000 0.00000 0.00000 0.16000 0.73000 0.00000 -0.53000 0.00000 -0.57000 0.00000 2.38000 66.00000 BUD14_1CKA-25_29.PDB 5.02794 -9.20000 -0.98000 -0.95000 -9.48000 -1.02000 7.26000 -13.51000 3.07000 5.45000 2.38000 0.00000 0.00000 0.00000 0.15000 0.79000 0.00000 -0.63000 0.00000 -0.95000 0.00000 2.38000 66.00000 BUD14_1CKA-25_30.PDB 3.67861 -7.75000 -0.95000 -0.88000 -9.87000 -1.11000 7.57000 -13.89000 4.52000 5.59000 2.81000 0.00000 0.00000 0.00000 0.16000 0.76000 0.00000 -0.60000 0.00000 -1.09000 0.00000 2.38000 66.00000