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-12_1.PDB 4.21550 -7.23000 -1.06000 -2.57000 -4.54000 -3.27000 4.98000 -5.51000 0.04000 5.23000 1.62000 0.00000 0.00000 0.00000 0.08000 0.16000 0.00000 -0.69000 0.00000 -1.54000 0.00000 2.38000 65.00000 BUD14_1CKA-12_2.PDB 4.58674 -7.97000 -1.11000 -2.68000 -4.89000 -3.43000 5.41000 -5.88000 0.11000 5.40000 1.32000 0.00000 0.00000 0.00000 0.14000 0.15000 0.00000 -0.80000 0.00000 -1.55000 0.00000 2.38000 65.00000 BUD14_1CKA-12_3.PDB 3.57439 -7.29000 -1.05000 -2.57000 -5.24000 -3.21000 5.96000 -6.05000 0.15000 5.30000 1.33000 0.00000 0.00000 0.00000 0.07000 0.14000 0.00000 -0.56000 0.00000 -1.44000 0.00000 2.38000 65.00000 BUD14_1CKA-12_4.PDB 3.62900 -8.16000 -1.05000 -2.50000 -5.19000 -3.37000 5.55000 -6.09000 0.10000 5.34000 1.22000 0.00000 0.00000 0.00000 0.09000 0.24000 0.00000 -0.59000 0.00000 -1.65000 0.00000 2.38000 65.00000 BUD14_1CKA-12_5.PDB 3.83632 -7.51000 -1.00000 -2.57000 -4.83000 -3.41000 5.27000 -5.72000 0.17000 5.65000 1.32000 0.00000 0.00000 0.00000 0.05000 0.20000 0.00000 -0.72000 0.00000 -1.72000 0.00000 2.38000 65.00000 BUD14_1CKA-12_6.PDB 4.18255 -7.19000 -1.12000 -2.64000 -4.49000 -3.29000 5.09000 -5.36000 0.05000 5.20000 1.66000 0.00000 0.00000 0.00000 0.05000 0.13000 0.00000 -0.87000 0.00000 -1.47000 0.00000 2.38000 65.00000 BUD14_1CKA-12_7.PDB 3.79159 -6.06000 -1.07000 -2.72000 -4.76000 -3.28000 5.50000 -5.67000 0.10000 5.25000 2.28000 0.00000 0.00000 0.00000 0.02000 0.16000 0.00000 -0.17000 0.00000 -1.55000 0.00000 2.38000 65.00000 BUD14_1CKA-12_8.PDB 3.76228 -6.87000 -1.08000 -2.72000 -4.79000 -1.90000 5.56000 -5.56000 0.05000 4.95000 1.32000 0.00000 0.00000 0.00000 0.05000 0.22000 0.00000 -0.80000 0.00000 -1.94000 0.00000 2.38000 65.00000 BUD14_1CKA-12_9.PDB 3.50521 -6.96000 -1.05000 -2.57000 -5.23000 -3.24000 5.95000 -5.99000 0.10000 5.33000 1.25000 0.00000 0.00000 0.00000 0.06000 0.17000 0.00000 -0.15000 0.00000 -1.43000 0.00000 2.38000 65.00000 BUD14_1CKA-12_10.PDB 3.89447 -7.33000 -1.06000 -2.56000 -5.02000 -3.19000 5.59000 -5.84000 0.09000 5.25000 1.31000 0.00000 0.00000 0.00000 0.08000 0.21000 0.00000 -0.47000 0.00000 -1.50000 0.00000 2.38000 65.00000 BUD14_1CKA-12_11.PDB 3.95687 -6.35000 -1.09000 -2.71000 -5.18000 -3.02000 5.85000 -5.94000 0.20000 5.24000 1.64000 0.00000 0.00000 0.00000 0.05000 0.19000 0.00000 -0.05000 0.00000 -1.34000 0.00000 2.38000 65.00000 BUD14_1CKA-12_12.PDB 3.80637 -7.49000 -1.05000 -2.56000 -5.42000 -3.32000 6.13000 -6.22000 0.14000 5.39000 1.37000 0.00000 0.00000 0.00000 0.10000 0.17000 0.00000 -0.57000 0.00000 -1.49000 0.00000 2.38000 65.00000 BUD14_1CKA-12_13.PDB 3.53695 -6.92000 -0.92000 -2.47000 -4.76000 -3.42000 5.28000 -5.62000 0.65000 5.43000 1.37000 0.00000 0.00000 0.00000 0.04000 0.27000 0.00000 -0.81000 0.00000 -1.68000 0.00000 2.38000 65.00000 BUD14_1CKA-12_14.PDB 3.52669 -7.28000 -1.00000 -2.61000 -4.73000 -3.17000 5.22000 -5.60000 0.18000 5.39000 1.22000 0.00000 0.00000 0.00000 0.04000 0.20000 0.00000 -0.74000 0.00000 -1.45000 0.00000 2.38000 65.00000 BUD14_1CKA-12_15.PDB 3.73940 -6.99000 -1.04000 -2.64000 -4.41000 -3.28000 4.94000 -5.21000 0.05000 5.16000 1.69000 0.00000 0.00000 0.00000 0.02000 0.12000 0.00000 -0.77000 0.00000 -1.50000 0.00000 2.38000 65.00000 BUD14_1CKA-12_16.PDB 4.16611 -7.36000 -1.06000 -2.61000 -5.37000 -3.28000 5.84000 -6.24000 0.20000 5.50000 1.28000 0.00000 0.00000 0.00000 0.08000 0.19000 0.00000 -0.15000 0.00000 -1.56000 0.00000 2.38000 65.00000 BUD14_1CKA-12_17.PDB 3.75883 -8.13000 -1.07000 -2.71000 -5.14000 -3.52000 5.64000 -6.10000 0.07000 5.50000 1.02000 0.00000 0.00000 0.00000 0.05000 0.23000 0.00000 -0.30000 0.00000 -1.57000 0.00000 2.38000 65.00000 BUD14_1CKA-12_18.PDB 4.18659 -8.08000 -1.05000 -2.66000 -4.87000 -2.54000 5.31000 -5.77000 0.08000 4.86000 0.90000 0.00000 0.00000 0.00000 0.07000 0.24000 0.00000 -0.76000 0.00000 -1.65000 0.00000 2.38000 65.00000 BUD14_1CKA-12_19.PDB 3.52272 -7.45000 -1.06000 -2.63000 -5.15000 -3.21000 5.60000 -6.00000 0.10000 5.30000 1.16000 0.00000 0.00000 0.00000 0.09000 0.19000 0.00000 -0.10000 0.00000 -1.56000 0.00000 2.38000 65.00000 BUD14_1CKA-12_20.PDB 3.37520 -6.70000 -1.06000 -2.44000 -4.70000 -2.37000 5.06000 -5.66000 0.04000 4.97000 1.29000 0.00000 0.00000 0.00000 0.06000 0.19000 0.00000 -0.33000 0.00000 -1.55000 0.00000 2.38000 65.00000 BUD14_1CKA-12_21.PDB 3.85143 -6.93000 -1.04000 -2.56000 -4.38000 -2.46000 5.00000 -5.26000 0.03000 4.48000 1.52000 0.00000 0.00000 0.00000 0.02000 0.12000 0.00000 -0.59000 0.00000 -1.68000 0.00000 2.38000 65.00000 BUD14_1CKA-12_22.PDB 3.44197 -6.29000 -1.06000 -1.06000 -4.71000 -2.31000 4.74000 -5.85000 0.05000 4.44000 1.24000 0.00000 0.00000 0.00000 0.06000 0.10000 0.00000 -0.34000 0.00000 -1.48000 0.00000 2.38000 65.00000 BUD14_1CKA-12_23.PDB 3.57341 -7.18000 -1.04000 -2.58000 -5.33000 -3.37000 5.90000 -6.14000 0.24000 5.55000 1.29000 0.00000 0.00000 0.00000 0.07000 0.23000 0.00000 -0.13000 0.00000 -1.64000 0.00000 2.38000 65.00000 BUD14_1CKA-12_24.PDB 3.82604 -6.82000 -0.99000 -2.40000 -4.43000 -3.44000 4.99000 -5.33000 0.15000 5.28000 1.63000 0.00000 0.00000 0.00000 0.03000 0.14000 0.00000 -0.55000 0.00000 -1.75000 0.00000 2.38000 65.00000 BUD14_1CKA-12_25.PDB 3.55850 -7.31000 -0.80000 -2.91000 -5.06000 -3.11000 5.75000 -6.10000 0.08000 5.26000 1.35000 0.00000 0.00000 0.00000 0.09000 0.20000 0.00000 -0.51000 0.00000 -1.34000 0.00000 2.38000 65.00000 BUD14_1CKA-12_26.PDB 3.73462 -5.96000 -1.00000 -2.43000 -5.00000 -3.26000 5.56000 -5.90000 0.22000 5.19000 2.18000 0.00000 0.00000 0.00000 0.06000 0.19000 0.00000 -0.09000 0.00000 -1.50000 0.00000 2.38000 65.00000 BUD14_1CKA-12_27.PDB 3.58354 -7.38000 -1.03000 -2.56000 -4.67000 -3.10000 5.02000 -5.60000 0.02000 5.33000 1.28000 0.00000 0.00000 0.00000 0.05000 0.19000 0.00000 -0.76000 0.00000 -1.36000 0.00000 2.38000 65.00000 BUD14_1CKA-12_28.PDB 3.68834 -6.41000 -1.11000 -2.54000 -4.20000 -3.27000 4.69000 -5.01000 0.03000 5.16000 1.84000 0.00000 0.00000 0.00000 0.01000 0.10000 0.00000 -0.47000 0.00000 -1.53000 0.00000 2.38000 65.00000 BUD14_1CKA-12_29.PDB 3.73928 -6.88000 -1.07000 -2.53000 -4.91000 -1.57000 5.10000 -5.86000 0.04000 4.93000 1.34000 0.00000 0.00000 0.00000 0.05000 0.21000 0.00000 -0.67000 0.00000 -1.74000 0.00000 2.38000 65.00000 BUD14_1CKA-12_30.PDB 3.64690 -7.56000 -1.04000 -2.53000 -4.64000 -3.40000 5.13000 -5.50000 0.05000 5.50000 1.28000 0.00000 0.00000 0.00000 0.02000 0.18000 0.00000 -0.76000 0.00000 -1.67000 0.00000 2.38000 65.00000