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-13_1.PDB 3.35278 -9.66000 -2.27000 -4.05000 -8.28000 -2.35000 8.88000 -10.04000 2.61000 5.70000 2.22000 0.00000 0.00000 0.00000 0.20000 0.65000 0.00000 -1.15000 0.00000 -1.13000 0.00000 2.38000 65.00000 BUD14_1CKA-13_2.PDB 3.50938 -7.05000 -2.40000 -5.18000 -7.35000 -1.19000 9.06000 -8.30000 2.50000 5.07000 2.29000 0.00000 0.00000 0.00000 0.23000 0.71000 0.00000 -0.72000 0.00000 -1.06000 0.00000 2.38000 65.00000 BUD14_1CKA-13_3.PDB 3.07207 -9.22000 -1.65000 -3.95000 -7.43000 -1.52000 7.14000 -9.31000 1.28000 5.18000 2.11000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.41000 0.00000 -0.77000 0.00000 2.38000 65.00000 BUD14_1CKA-13_4.PDB 3.07209 -7.75000 -1.68000 -3.22000 -6.37000 -1.94000 6.52000 -7.76000 1.47000 5.24000 1.94000 0.00000 0.00000 0.00000 0.05000 0.62000 0.00000 -0.87000 0.00000 -1.11000 0.00000 2.38000 65.00000 BUD14_1CKA-13_5.PDB 3.77431 -10.07000 -2.33000 -4.60000 -8.54000 -3.32000 9.41000 -10.20000 2.86000 6.48000 1.90000 0.00000 0.00000 0.00000 0.32000 0.64000 0.00000 -1.02000 0.00000 -1.03000 0.00000 2.38000 65.00000 BUD14_1CKA-13_6.PDB 3.39929 -8.27000 -2.24000 -3.95000 -8.35000 -1.28000 9.24000 -10.18000 2.66000 5.83000 2.20000 0.00000 0.00000 0.00000 0.22000 0.58000 0.00000 -1.34000 0.00000 -1.08000 0.00000 2.38000 65.00000 BUD14_1CKA-13_7.PDB 3.29883 -9.23000 -2.33000 -3.92000 -8.24000 -3.10000 8.91000 -9.93000 2.69000 6.45000 2.01000 0.00000 0.00000 0.00000 0.18000 0.61000 0.00000 -0.91000 0.00000 -1.04000 0.00000 2.38000 65.00000 BUD14_1CKA-13_8.PDB 3.47235 -7.47000 -2.46000 -4.80000 -7.46000 -2.07000 9.36000 -8.39000 2.44000 5.19000 2.32000 0.00000 0.00000 0.00000 0.18000 0.68000 0.00000 -0.74000 0.00000 -1.05000 0.00000 2.38000 65.00000 BUD14_1CKA-13_9.PDB 2.88996 -8.74000 -1.61000 -3.12000 -7.07000 -0.47000 5.93000 -9.29000 1.37000 4.99000 1.88000 0.00000 0.00000 0.00000 0.05000 0.52000 0.00000 -0.82000 0.00000 -0.59000 0.00000 2.38000 65.00000 BUD14_1CKA-13_10.PDB 3.18585 -8.83000 -1.66000 -3.81000 -7.41000 -1.25000 6.95000 -9.40000 1.23000 5.10000 2.07000 0.00000 0.00000 0.00000 0.11000 0.51000 0.00000 -0.27000 0.00000 -0.49000 0.00000 2.38000 65.00000 BUD14_1CKA-13_11.PDB 3.52790 -8.80000 -2.44000 -4.18000 -7.63000 -3.16000 8.86000 -8.75000 2.71000 5.88000 2.02000 0.00000 0.00000 0.00000 0.26000 0.58000 0.00000 -1.26000 0.00000 -1.10000 0.00000 2.38000 65.00000 BUD14_1CKA-13_12.PDB 3.55877 -7.15000 -2.47000 -4.09000 -7.22000 -2.15000 8.65000 -8.30000 2.63000 5.19000 2.25000 0.00000 0.00000 0.00000 0.19000 0.53000 0.00000 -0.77000 0.00000 -1.06000 0.00000 2.38000 65.00000 BUD14_1CKA-13_13.PDB 3.13243 -7.29000 -1.63000 -3.17000 -6.39000 -1.63000 6.39000 -7.86000 1.24000 4.82000 2.11000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -0.37000 0.00000 -0.88000 0.00000 2.38000 65.00000 BUD14_1CKA-13_14.PDB 3.49462 -11.05000 -1.68000 -3.21000 -8.01000 -1.99000 7.29000 -10.24000 1.38000 5.43000 2.22000 0.00000 0.00000 0.00000 0.08000 0.56000 0.00000 -1.20000 0.00000 -1.11000 0.00000 2.38000 65.00000 BUD14_1CKA-13_15.PDB 3.52461 -10.51000 -2.37000 -4.95000 -8.69000 -3.23000 9.43000 -10.46000 2.68000 6.54000 1.92000 0.00000 0.00000 0.00000 0.32000 0.54000 0.00000 -0.68000 0.00000 -1.02000 0.00000 2.38000 65.00000 BUD14_1CKA-13_16.PDB 2.92937 -7.81000 -1.62000 -3.16000 -6.46000 -1.90000 6.37000 -7.96000 1.32000 5.13000 1.98000 0.00000 0.00000 0.00000 0.05000 0.53000 0.00000 -0.64000 0.00000 -0.92000 0.00000 2.38000 65.00000 BUD14_1CKA-13_17.PDB 3.28807 -7.53000 -1.70000 -4.21000 -6.46000 -1.44000 6.99000 -7.72000 1.15000 4.78000 2.06000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.37000 0.00000 -0.72000 0.00000 2.38000 65.00000 BUD14_1CKA-13_18.PDB 3.25861 -10.47000 -2.48000 -4.08000 -8.47000 -2.98000 8.65000 -10.31000 2.73000 6.52000 1.85000 0.00000 0.00000 0.00000 0.27000 0.59000 0.00000 -1.13000 0.00000 -1.05000 0.00000 2.38000 65.00000 BUD14_1CKA-13_19.PDB 3.24685 -8.49000 -2.49000 -5.32000 -7.59000 -2.37000 9.18000 -8.65000 2.54000 5.94000 2.12000 0.00000 0.00000 0.00000 0.24000 0.61000 0.00000 -1.04000 0.00000 -1.06000 0.00000 2.38000 65.00000 BUD14_1CKA-13_20.PDB 2.87589 -9.80000 -1.64000 -3.17000 -7.26000 -1.51000 6.07000 -9.47000 1.48000 5.21000 1.87000 0.00000 0.00000 0.00000 0.07000 0.50000 0.00000 -0.84000 0.00000 -0.61000 0.00000 2.38000 65.00000 BUD14_1CKA-13_21.PDB 3.34208 -8.62000 -2.52000 -5.00000 -7.75000 -2.77000 9.41000 -8.83000 2.66000 5.74000 2.19000 0.00000 0.00000 0.00000 0.25000 0.62000 0.00000 -0.95000 0.00000 -1.03000 0.00000 2.38000 65.00000 BUD14_1CKA-13_22.PDB 3.24110 -9.74000 -1.63000 -4.24000 -7.83000 -0.57000 7.22000 -10.09000 1.34000 5.16000 2.07000 0.00000 0.00000 0.00000 0.15000 0.47000 0.00000 -0.70000 0.00000 -0.62000 0.00000 2.38000 65.00000 BUD14_1CKA-13_23.PDB 3.13495 -8.06000 -1.65000 -3.15000 -6.42000 -1.49000 6.27000 -7.94000 1.29000 4.50000 1.86000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.81000 0.00000 -0.55000 0.00000 2.38000 65.00000 BUD14_1CKA-13_24.PDB 2.98066 -7.03000 -0.79000 -2.29000 -6.47000 -1.42000 6.00000 -8.24000 1.57000 4.02000 1.86000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.76000 0.00000 -0.55000 0.00000 2.38000 65.00000 BUD14_1CKA-13_25.PDB 3.35039 -9.87000 -1.71000 -3.43000 -8.73000 -2.12000 8.10000 -11.03000 2.61000 6.56000 1.77000 0.00000 0.00000 0.00000 0.23000 0.62000 0.00000 -1.08000 0.00000 -1.04000 0.00000 2.38000 65.00000 BUD14_1CKA-13_26.PDB 3.27805 -10.73000 -2.46000 -6.88000 -8.66000 -2.55000 10.24000 -10.24000 2.60000 6.28000 2.20000 0.00000 0.00000 0.00000 0.21000 0.69000 0.00000 -0.37000 0.00000 -1.10000 0.00000 2.38000 65.00000 BUD14_1CKA-13_27.PDB 3.35713 -9.22000 -2.27000 -6.59000 -7.66000 -2.50000 9.74000 -8.61000 2.54000 5.53000 2.29000 0.00000 0.00000 0.00000 0.24000 0.69000 0.00000 -0.82000 0.00000 -1.11000 0.00000 2.38000 65.00000 BUD14_1CKA-13_28.PDB 3.31600 -8.44000 -1.77000 -4.22000 -8.37000 -2.10000 9.17000 -10.00000 2.42000 6.20000 1.91000 0.00000 0.00000 0.00000 0.23000 0.71000 0.00000 -0.89000 0.00000 -1.02000 0.00000 2.38000 65.00000 BUD14_1CKA-13_29.PDB 3.31337 -9.24000 -0.96000 -3.31000 -7.80000 -1.27000 6.45000 -10.22000 1.20000 5.46000 1.74000 0.00000 0.00000 0.00000 0.17000 0.52000 0.00000 -0.22000 0.00000 -0.47000 0.00000 2.38000 65.00000 BUD14_1CKA-13_30.PDB 3.06450 -10.21000 -1.55000 -6.13000 -7.68000 -1.03000 7.38000 -9.72000 1.47000 5.60000 2.62000 0.00000 0.00000 0.00000 0.09000 0.43000 0.00000 -0.45000 0.00000 -0.82000 0.00000 2.38000 65.00000