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-20_1.PDB 3.66180 -10.77000 -2.00000 -1.99000 -9.71000 -0.30000 7.79000 -13.85000 0.81000 5.13000 3.80000 0.00000 0.00000 0.00000 0.01000 0.69000 0.00000 -0.19000 0.00000 -0.25000 0.00000 2.38000 66.00000 BUD14_1CKA-20_2.PDB 3.38026 -10.09000 -2.00000 -1.99000 -9.78000 -0.31000 7.86000 -13.91000 0.84000 5.14000 4.56000 0.00000 0.00000 0.00000 0.01000 0.69000 0.00000 -0.24000 0.00000 -0.26000 0.00000 2.38000 66.00000 BUD14_1CKA-20_3.PDB 3.15757 -10.52000 -1.11000 -1.11000 -9.55000 -0.13000 6.83000 -14.17000 0.88000 4.21000 3.82000 0.00000 0.00000 0.00000 0.02000 0.57000 0.00000 -0.17000 0.00000 -0.03000 0.00000 2.38000 66.00000 BUD14_1CKA-20_4.PDB 3.48615 -10.32000 -2.02000 -1.99000 -10.03000 -0.28000 8.19000 -13.96000 0.90000 5.21000 4.14000 0.00000 0.00000 0.00000 0.01000 0.68000 0.00000 -0.25000 0.00000 -0.25000 0.00000 2.38000 66.00000 BUD14_1CKA-20_5.PDB 3.32725 -10.68000 -1.99000 -1.98000 -9.97000 -0.28000 7.97000 -13.97000 0.81000 5.23000 4.06000 0.00000 0.00000 0.00000 0.02000 0.67000 0.00000 -0.33000 0.00000 -0.25000 0.00000 2.38000 66.00000 BUD14_1CKA-20_6.PDB 3.52575 -11.21000 -1.93000 -1.92000 -10.41000 -0.72000 8.53000 -14.69000 0.70000 6.24000 3.96000 0.00000 0.00000 0.00000 0.01000 0.60000 0.00000 -0.37000 0.00000 -0.59000 0.00000 2.38000 66.00000 BUD14_1CKA-20_7.PDB 3.48054 -11.26000 -1.12000 -1.34000 -9.34000 -1.12000 7.28000 -13.82000 0.68000 5.28000 3.36000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.18000 0.00000 -0.96000 0.00000 2.38000 66.00000 BUD14_1CKA-20_8.PDB 3.45787 -10.37000 -2.02000 -1.99000 -10.34000 -0.26000 8.63000 -14.38000 0.96000 5.25000 4.24000 0.00000 0.00000 0.00000 0.01000 0.74000 0.00000 -0.22000 0.00000 -0.23000 0.00000 2.38000 66.00000 BUD14_1CKA-20_9.PDB 3.32253 -11.30000 -1.12000 -1.20000 -9.39000 -1.08000 7.41000 -13.82000 0.59000 5.12000 3.34000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.22000 0.00000 -0.95000 0.00000 2.38000 66.00000 BUD14_1CKA-20_10.PDB 3.33445 -11.55000 -1.12000 -1.77000 -9.39000 -1.15000 7.41000 -13.80000 0.68000 5.46000 3.28000 0.00000 0.00000 0.00000 0.02000 0.44000 0.00000 -0.21000 0.00000 -0.96000 0.00000 2.38000 66.00000 BUD14_1CKA-20_11.PDB 3.60901 -11.13000 -1.98000 -2.37000 -9.55000 -0.80000 7.99000 -13.42000 1.00000 5.46000 3.74000 0.00000 0.00000 0.00000 0.03000 0.62000 0.00000 -0.46000 0.00000 -0.77000 0.00000 2.38000 66.00000 BUD14_1CKA-20_12.PDB 3.26760 -9.97000 -2.02000 -2.00000 -10.06000 -0.28000 7.91000 -14.29000 1.55000 5.63000 4.05000 0.00000 0.00000 0.00000 0.01000 0.63000 0.00000 -0.20000 0.00000 -0.26000 0.00000 2.38000 66.00000 BUD14_1CKA-20_13.PDB 3.36492 -11.31000 -1.98000 -2.28000 -9.63000 -0.79000 8.06000 -13.53000 0.80000 5.46000 3.67000 0.00000 0.00000 0.00000 0.02000 0.58000 0.00000 -0.34000 0.00000 -0.75000 0.00000 2.38000 66.00000 BUD14_1CKA-20_14.PDB 3.06886 -10.89000 -2.00000 -1.99000 -9.72000 -0.25000 7.78000 -13.91000 0.92000 5.10000 3.76000 0.00000 0.00000 0.00000 0.03000 0.72000 0.00000 -0.40000 0.00000 -0.20000 0.00000 2.38000 66.00000 BUD14_1CKA-20_15.PDB 3.25638 -10.73000 -1.14000 -1.56000 -9.06000 -1.22000 7.46000 -13.17000 1.21000 4.77000 3.26000 0.00000 0.00000 0.00000 0.02000 0.47000 0.00000 -0.25000 0.00000 -1.05000 0.00000 2.38000 66.00000 BUD14_1CKA-20_16.PDB 3.20195 -10.49000 -1.08000 -1.08000 -10.00000 -0.67000 7.53000 -14.76000 0.98000 5.27000 3.98000 0.00000 0.00000 0.00000 0.02000 0.59000 0.00000 -0.15000 0.00000 -0.53000 0.00000 2.38000 66.00000 BUD14_1CKA-20_17.PDB 3.50230 -11.24000 -2.02000 -2.67000 -9.58000 -0.91000 8.07000 -13.34000 1.11000 5.61000 3.56000 0.00000 0.00000 0.00000 0.02000 0.59000 0.00000 -0.31000 0.00000 -0.79000 0.00000 2.38000 66.00000 BUD14_1CKA-20_18.PDB 3.34582 -10.59000 -1.12000 -1.12000 -9.28000 -0.65000 7.24000 -13.49000 0.70000 4.76000 3.34000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.38000 0.00000 -0.57000 0.00000 2.38000 66.00000 BUD14_1CKA-20_19.PDB 3.39761 -10.11000 -1.94000 -1.94000 -9.94000 -0.29000 8.01000 -14.08000 1.18000 5.30000 4.02000 0.00000 0.00000 0.00000 0.03000 0.68000 0.00000 -0.19000 0.00000 -0.26000 0.00000 2.38000 66.00000 BUD14_1CKA-20_20.PDB 3.18599 -11.15000 -1.12000 -1.12000 -9.52000 -0.64000 7.21000 -13.76000 0.80000 4.55000 3.15000 0.00000 0.00000 0.00000 0.01000 0.52000 0.00000 -0.16000 0.00000 -0.55000 0.00000 2.38000 66.00000 BUD14_1CKA-20_21.PDB 4.24615 -12.02000 -2.04000 -2.45000 -10.14000 -0.85000 8.24000 -14.32000 1.25000 5.56000 3.69000 0.00000 0.00000 0.00000 0.03000 0.63000 0.00000 -0.20000 0.00000 -0.79000 0.00000 2.38000 66.00000 BUD14_1CKA-20_22.PDB 3.20553 -10.74000 -1.12000 -1.12000 -9.75000 -0.77000 7.39000 -14.36000 0.81000 5.21000 3.76000 0.00000 0.00000 0.00000 0.02000 0.58000 0.00000 -0.17000 0.00000 -0.66000 0.00000 2.38000 66.00000 BUD14_1CKA-20_23.PDB 3.36836 -10.02000 -2.01000 -2.00000 -10.00000 -0.37000 8.22000 -13.92000 1.24000 5.32000 4.06000 0.00000 0.00000 0.00000 0.01000 0.67000 0.00000 -0.27000 0.00000 -0.31000 0.00000 2.38000 66.00000 BUD14_1CKA-20_24.PDB 3.27873 -11.16000 -2.01000 -2.00000 -9.32000 -0.66000 7.82000 -12.88000 0.60000 4.89000 3.33000 0.00000 0.00000 0.00000 0.02000 0.63000 0.00000 -0.38000 0.00000 -0.58000 0.00000 2.38000 66.00000 BUD14_1CKA-20_25.PDB 3.52306 -10.87000 -2.00000 -1.99000 -9.97000 -0.47000 8.12000 -14.11000 0.80000 5.42000 4.00000 0.00000 0.00000 0.00000 0.02000 0.69000 0.00000 -0.26000 0.00000 -0.44000 0.00000 2.38000 66.00000 BUD14_1CKA-20_26.PDB 3.18456 -10.74000 -1.11000 -1.11000 -9.65000 -0.54000 7.23000 -14.25000 0.65000 4.96000 3.64000 0.00000 0.00000 0.00000 0.01000 0.53000 0.00000 -0.15000 0.00000 -0.42000 0.00000 2.38000 66.00000 BUD14_1CKA-20_27.PDB 3.57732 -10.22000 -2.01000 -2.00000 -10.04000 -0.30000 8.09000 -14.06000 1.22000 5.36000 4.07000 0.00000 0.00000 0.00000 0.01000 0.69000 0.00000 -0.28000 0.00000 -0.28000 0.00000 2.38000 66.00000 BUD14_1CKA-20_28.PDB 3.22669 -10.95000 -1.13000 -1.13000 -9.79000 -0.56000 7.24000 -14.47000 0.82000 5.11000 3.54000 0.00000 0.00000 0.00000 0.02000 0.63000 0.00000 -0.15000 0.00000 -0.45000 0.00000 2.38000 66.00000 BUD14_1CKA-20_29.PDB 3.57723 -11.12000 -2.01000 -2.00000 -9.72000 -0.32000 7.88000 -13.35000 0.87000 4.75000 3.39000 0.00000 0.00000 0.00000 0.01000 0.66000 0.00000 -0.27000 0.00000 -0.35000 0.00000 2.38000 66.00000 BUD14_1CKA-20_30.PDB 3.38467 -10.39000 -1.06000 -1.06000 -9.84000 -0.61000 7.40000 -14.50000 0.87000 5.10000 3.97000 0.00000 0.00000 0.00000 0.02000 0.59000 0.00000 -0.16000 0.00000 -0.52000 0.00000 2.38000 66.00000