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-11_1.PDB 3.79310 -4.77000 -1.83000 -1.68000 -6.61000 -0.39000 5.69000 -8.92000 0.07000 5.76000 3.09000 0.00000 0.00000 0.00000 0.64000 1.22000 0.00000 -0.14000 0.00000 -0.46000 0.00000 2.38000 64.00000 BUD14_1CKA-11_2.PDB 2.70800 -4.02000 -1.79000 -1.73000 -5.64000 -0.09000 5.20000 -7.22000 0.15000 4.67000 2.85000 0.00000 0.00000 0.00000 0.01000 0.70000 0.00000 -0.24000 0.00000 -0.17000 0.00000 2.38000 64.00000 BUD14_1CKA-11_3.PDB 3.54095 -4.64000 -2.77000 -2.62000 -6.48000 -0.49000 6.89000 -8.28000 1.67000 4.79000 3.21000 0.00000 0.00000 0.00000 0.75000 1.07000 0.00000 -1.10000 0.00000 -0.20000 0.00000 2.38000 64.00000 BUD14_1CKA-11_4.PDB 4.56450 -5.11000 -1.83000 -1.67000 -6.80000 -0.23000 6.35000 -9.09000 0.12000 5.31000 3.22000 0.00000 0.00000 0.00000 0.67000 0.99000 0.00000 -0.72000 0.00000 -0.46000 0.00000 2.38000 64.00000 BUD14_1CKA-11_5.PDB 4.25906 -4.90000 -1.90000 -1.74000 -6.99000 -0.50000 6.10000 -9.44000 0.23000 6.35000 3.20000 0.00000 0.00000 0.00000 0.61000 1.13000 0.00000 -0.29000 0.00000 -0.52000 0.00000 2.38000 64.00000 BUD14_1CKA-11_6.PDB 3.63298 -3.63000 -2.84000 -2.76000 -6.25000 -0.49000 6.78000 -8.02000 2.45000 4.77000 3.07000 0.00000 0.00000 0.00000 0.74000 1.10000 0.00000 -0.86000 0.00000 -0.23000 0.00000 2.38000 64.00000 BUD14_1CKA-11_7.PDB 2.79505 -4.69000 -1.85000 -1.82000 -5.85000 -0.28000 5.46000 -7.43000 0.21000 5.02000 2.48000 0.00000 0.00000 0.00000 0.02000 0.99000 0.00000 -0.39000 0.00000 -0.26000 0.00000 2.38000 64.00000 BUD14_1CKA-11_8.PDB 2.57222 -4.94000 -1.56000 -1.44000 -5.61000 -0.16000 5.48000 -7.61000 0.14000 4.11000 2.27000 0.00000 0.00000 0.00000 0.00000 0.68000 0.00000 -0.40000 0.00000 -0.17000 0.00000 2.38000 64.00000 BUD14_1CKA-11_9.PDB 3.11666 -3.51000 -1.90000 -1.75000 -5.97000 -0.11000 5.49000 -7.83000 0.72000 4.80000 3.48000 0.00000 0.00000 0.00000 0.01000 0.96000 0.00000 -0.30000 0.00000 -0.16000 0.00000 2.38000 64.00000 BUD14_1CKA-11_10.PDB 2.62317 -4.76000 -1.78000 -1.72000 -5.65000 -0.28000 4.90000 -7.42000 0.14000 4.89000 2.79000 0.00000 0.00000 0.00000 0.01000 0.80000 0.00000 -0.36000 0.00000 -0.27000 0.00000 2.38000 64.00000 BUD14_1CKA-11_11.PDB 3.61738 -4.99000 -1.86000 -1.87000 -6.57000 -0.69000 6.52000 -8.99000 1.73000 4.22000 2.81000 0.00000 0.00000 0.00000 0.60000 0.99000 0.00000 -0.44000 0.00000 -0.45000 0.00000 2.38000 64.00000 BUD14_1CKA-11_12.PDB 2.76943 -6.16000 -0.97000 -0.84000 -5.94000 -0.60000 4.71000 -8.23000 0.20000 3.88000 2.58000 0.00000 0.00000 0.00000 0.01000 0.84000 0.00000 -0.27000 0.00000 -0.68000 0.00000 2.38000 64.00000 BUD14_1CKA-11_13.PDB 3.79591 -3.87000 -1.81000 -1.75000 -6.11000 -1.50000 7.31000 -7.20000 1.25000 4.40000 2.76000 0.00000 0.00000 0.00000 0.26000 0.91000 0.00000 -0.70000 0.00000 -0.79000 0.00000 2.38000 64.00000 BUD14_1CKA-11_14.PDB 3.69809 -6.31000 -0.98000 -0.84000 -6.58000 -0.48000 5.12000 -9.67000 0.09000 4.32000 2.63000 0.00000 0.00000 0.00000 0.70000 1.05000 0.00000 -0.10000 0.00000 -0.54000 0.00000 2.38000 64.00000 BUD14_1CKA-11_15.PDB 3.19573 -6.14000 -0.92000 -0.82000 -5.54000 -0.48000 4.21000 -8.04000 0.15000 3.86000 2.23000 0.00000 0.00000 0.00000 0.01000 0.73000 0.00000 -0.21000 0.00000 -0.58000 0.00000 2.38000 64.00000 BUD14_1CKA-11_16.PDB 3.83869 -3.81000 -1.83000 -1.75000 -5.74000 -0.37000 6.30000 -7.77000 1.80000 3.77000 2.39000 0.00000 0.00000 0.00000 0.55000 0.96000 0.00000 -0.95000 0.00000 -0.20000 0.00000 2.38000 64.00000 BUD14_1CKA-11_17.PDB 3.76159 -4.77000 -2.76000 -2.69000 -6.56000 -0.49000 6.70000 -8.72000 1.57000 5.02000 3.32000 0.00000 0.00000 0.00000 0.69000 1.04000 0.00000 -0.69000 0.00000 -0.18000 0.00000 2.38000 64.00000 BUD14_1CKA-11_18.PDB 4.47259 -5.31000 -0.99000 -0.87000 -6.89000 -0.36000 5.76000 -9.82000 0.21000 4.90000 2.77000 0.00000 0.00000 0.00000 0.65000 1.02000 0.00000 -0.24000 0.00000 -0.43000 0.00000 2.38000 64.00000 BUD14_1CKA-11_19.PDB 2.86422 -4.51000 -0.98000 -0.85000 -5.13000 -0.14000 4.44000 -6.95000 0.12000 3.41000 1.90000 0.00000 0.00000 0.00000 0.01000 0.85000 0.00000 -0.16000 0.00000 -0.18000 0.00000 2.38000 64.00000 BUD14_1CKA-11_20.PDB 4.00849 -4.17000 -2.74000 -2.71000 -6.46000 -0.45000 6.96000 -8.46000 2.07000 4.89000 3.25000 0.00000 0.00000 0.00000 0.61000 1.03000 0.00000 -0.93000 0.00000 -0.19000 0.00000 2.38000 64.00000 BUD14_1CKA-11_21.PDB 3.85367 -4.56000 -1.87000 -1.87000 -5.63000 -0.50000 6.41000 -7.60000 1.48000 3.74000 2.11000 0.00000 0.00000 0.00000 0.52000 0.83000 0.00000 -1.08000 0.00000 -0.26000 0.00000 2.38000 64.00000 BUD14_1CKA-11_22.PDB 2.86586 -4.72000 -1.83000 -1.69000 -6.03000 -0.17000 5.30000 -7.90000 0.34000 4.83000 2.79000 0.00000 0.00000 0.00000 0.02000 0.96000 0.00000 -0.22000 0.00000 -0.16000 0.00000 2.38000 64.00000 BUD14_1CKA-11_23.PDB 2.90619 -4.48000 -0.87000 -0.83000 -5.03000 -0.18000 4.19000 -7.00000 0.21000 3.53000 1.99000 0.00000 0.00000 0.00000 0.02000 0.65000 0.00000 -0.31000 0.00000 -0.20000 0.00000 2.38000 64.00000 BUD14_1CKA-11_24.PDB 3.28275 -4.53000 -0.91000 -0.81000 -5.88000 -0.15000 5.12000 -8.13000 0.21000 3.94000 2.53000 0.00000 0.00000 0.00000 0.01000 0.88000 0.00000 -0.27000 0.00000 -0.20000 0.00000 2.38000 64.00000 BUD14_1CKA-11_25.PDB 2.90267 -5.06000 -1.88000 -1.73000 -5.96000 -0.32000 5.23000 -7.90000 0.22000 5.08000 2.77000 0.00000 0.00000 0.00000 0.01000 0.93000 0.00000 -0.30000 0.00000 -0.30000 0.00000 2.38000 64.00000 BUD14_1CKA-11_26.PDB 3.66552 -5.33000 -1.00000 -0.87000 -6.84000 -0.67000 5.62000 -9.59000 0.22000 5.28000 2.58000 0.00000 0.00000 0.00000 0.79000 1.12000 0.00000 -0.19000 0.00000 -0.66000 0.00000 2.38000 64.00000 BUD14_1CKA-11_27.PDB 4.91747 -4.19000 -1.83000 -1.75000 -6.34000 -0.49000 6.56000 -8.63000 1.90000 4.11000 2.81000 0.00000 0.00000 0.00000 0.32000 0.92000 0.00000 -0.55000 0.00000 -0.31000 0.00000 2.38000 64.00000 BUD14_1CKA-11_28.PDB 4.08449 -3.82000 -0.95000 -1.05000 -6.37000 -1.06000 6.38000 -8.88000 2.49000 3.45000 2.71000 0.00000 0.00000 0.00000 0.36000 0.86000 0.00000 -0.41000 0.00000 -0.50000 0.00000 2.38000 64.00000 BUD14_1CKA-11_29.PDB 4.23819 -6.41000 -0.99000 -0.85000 -6.87000 -0.48000 5.61000 -9.85000 0.10000 4.55000 2.58000 0.00000 0.00000 0.00000 0.53000 1.01000 0.00000 -0.23000 0.00000 -0.51000 0.00000 2.38000 64.00000 BUD14_1CKA-11_30.PDB 2.84101 -5.99000 -0.96000 -0.93000 -6.11000 -0.51000 5.25000 -8.26000 0.14000 3.95000 2.15000 0.00000 0.00000 0.00000 0.01000 0.89000 0.00000 -0.22000 0.00000 -0.51000 0.00000 2.38000 64.00000