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-23_1.PDB 2.62351 -7.85000 -0.71000 -0.59000 -5.78000 -0.34000 3.58000 -8.76000 0.08000 3.21000 2.17000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.18000 0.00000 -0.55000 0.00000 2.38000 64.00000 BUD14_1CKA-23_2.PDB 2.85741 -7.37000 -0.70000 -0.59000 -6.05000 -0.06000 3.79000 -8.96000 0.04000 3.20000 2.42000 0.00000 0.00000 0.00000 0.02000 0.61000 0.00000 -0.20000 0.00000 -0.27000 0.00000 2.38000 64.00000 BUD14_1CKA-23_3.PDB 2.71692 -7.32000 -0.71000 -0.59000 -5.90000 -0.08000 3.62000 -8.95000 0.09000 3.13000 2.47000 0.00000 0.00000 0.00000 0.04000 0.47000 0.00000 -0.22000 0.00000 -0.21000 0.00000 2.38000 64.00000 BUD14_1CKA-23_4.PDB 3.42263 -7.92000 -0.72000 -0.59000 -6.18000 -0.28000 3.83000 -9.24000 0.27000 3.09000 2.41000 0.00000 0.00000 0.00000 0.08000 0.59000 0.00000 -0.07000 0.00000 -0.54000 0.00000 2.38000 64.00000 BUD14_1CKA-23_5.PDB 2.54677 -7.82000 -0.73000 -0.59000 -5.81000 -0.21000 3.61000 -8.79000 0.09000 2.84000 2.38000 0.00000 0.00000 0.00000 0.03000 0.60000 0.00000 -0.23000 0.00000 -0.40000 0.00000 2.38000 64.00000 BUD14_1CKA-23_6.PDB 2.84048 -7.78000 -0.71000 -0.59000 -5.81000 -0.35000 3.55000 -8.80000 0.06000 3.24000 2.49000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.26000 0.00000 -0.58000 0.00000 2.38000 64.00000 BUD14_1CKA-23_7.PDB 2.89983 -7.87000 -0.69000 -0.59000 -6.05000 -0.38000 3.75000 -9.10000 0.10000 3.34000 2.53000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.13000 0.00000 -0.65000 0.00000 2.38000 64.00000 BUD14_1CKA-23_8.PDB 2.76325 -7.49000 -0.73000 -0.59000 -6.02000 -0.13000 3.90000 -8.96000 0.03000 3.01000 2.55000 0.00000 0.00000 0.00000 0.02000 0.65000 0.00000 -0.27000 0.00000 -0.32000 0.00000 2.38000 64.00000 BUD14_1CKA-23_9.PDB 2.38678 -7.54000 -0.71000 -0.59000 -5.73000 -0.15000 3.41000 -8.70000 0.04000 2.99000 2.43000 0.00000 0.00000 0.00000 0.02000 0.59000 0.00000 -0.22000 0.00000 -0.33000 0.00000 2.38000 64.00000 BUD14_1CKA-23_10.PDB 2.85793 -7.54000 -0.73000 -0.59000 -6.27000 -0.16000 3.92000 -9.35000 0.13000 3.50000 2.59000 0.00000 0.00000 0.00000 0.02000 0.74000 0.00000 -0.20000 0.00000 -0.40000 0.00000 2.38000 64.00000 BUD14_1CKA-23_11.PDB 3.67542 -7.92000 -0.71000 -0.59000 -6.18000 -0.28000 3.75000 -9.28000 0.09000 3.48000 2.51000 0.00000 0.00000 0.00000 0.03000 0.51000 0.00000 -0.23000 0.00000 -0.51000 0.00000 2.38000 64.00000 BUD14_1CKA-23_12.PDB 2.69513 -7.40000 -0.71000 -0.59000 -6.19000 -0.20000 3.78000 -9.31000 0.09000 3.47000 2.76000 0.00000 0.00000 0.00000 0.01000 0.69000 0.00000 -0.14000 0.00000 -0.37000 0.00000 2.38000 64.00000 BUD14_1CKA-23_13.PDB 2.88558 -7.34000 -0.73000 -0.59000 -6.21000 -0.07000 4.16000 -9.13000 0.10000 3.10000 2.43000 0.00000 0.00000 0.00000 0.04000 0.68000 0.00000 -0.20000 0.00000 -0.26000 0.00000 2.38000 64.00000 BUD14_1CKA-23_14.PDB 2.57839 -7.57000 -0.71000 -0.59000 -6.07000 -0.12000 3.63000 -9.22000 0.10000 3.19000 2.54000 0.00000 0.00000 0.00000 0.04000 0.51000 0.00000 -0.09000 0.00000 -0.27000 0.00000 2.38000 64.00000 BUD14_1CKA-23_15.PDB 2.60819 -7.82000 -0.72000 -0.59000 -5.91000 -0.12000 3.56000 -8.97000 0.13000 2.73000 2.43000 0.00000 0.00000 0.00000 0.03000 0.47000 0.00000 -0.08000 0.00000 -0.30000 0.00000 2.38000 64.00000 BUD14_1CKA-23_16.PDB 2.85234 -7.48000 -0.70000 -0.60000 -5.97000 -0.04000 3.75000 -8.88000 0.03000 3.14000 2.42000 0.00000 0.00000 0.00000 0.02000 0.66000 0.00000 -0.44000 0.00000 -0.22000 0.00000 2.38000 64.00000 BUD14_1CKA-23_17.PDB 2.64614 -8.14000 -0.71000 -0.59000 -5.94000 -0.36000 3.37000 -9.07000 0.12000 3.22000 2.51000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.10000 0.00000 -0.61000 0.00000 2.38000 64.00000 BUD14_1CKA-23_18.PDB 2.69481 -7.36000 -0.70000 -0.59000 -6.08000 -0.08000 3.74000 -9.11000 0.04000 3.13000 2.69000 0.00000 0.00000 0.00000 0.01000 0.61000 0.00000 -0.22000 0.00000 -0.19000 0.00000 2.38000 64.00000 BUD14_1CKA-23_19.PDB 2.64257 -7.65000 -0.72000 -0.59000 -5.85000 -0.22000 3.62000 -8.88000 0.08000 2.87000 2.53000 0.00000 0.00000 0.00000 0.02000 0.47000 0.00000 -0.10000 0.00000 -0.40000 0.00000 2.38000 64.00000 BUD14_1CKA-23_20.PDB 3.54854 -8.22000 -0.73000 -0.59000 -6.18000 -0.34000 3.54000 -9.41000 0.13000 3.20000 2.84000 0.00000 0.00000 0.00000 0.04000 0.55000 0.00000 -0.13000 0.00000 -0.60000 0.00000 2.38000 64.00000 BUD14_1CKA-23_21.PDB 2.97046 -7.85000 -0.70000 -0.59000 -5.73000 -0.31000 3.37000 -8.76000 0.12000 3.05000 2.42000 0.00000 0.00000 0.00000 0.04000 0.37000 0.00000 -0.20000 0.00000 -0.56000 0.00000 2.38000 64.00000 BUD14_1CKA-23_22.PDB 3.72447 -7.81000 -0.71000 -0.59000 -6.39000 -0.20000 3.97000 -9.61000 0.06000 3.52000 2.76000 0.00000 0.00000 0.00000 0.03000 0.63000 0.00000 -0.19000 0.00000 -0.45000 0.00000 2.38000 64.00000 BUD14_1CKA-23_23.PDB 2.72226 -6.95000 -0.71000 -0.60000 -5.57000 -0.16000 3.86000 -8.33000 0.02000 2.98000 2.11000 0.00000 0.00000 0.00000 0.01000 0.54000 0.00000 -0.19000 0.00000 -0.36000 0.00000 2.38000 64.00000 BUD14_1CKA-23_24.PDB 2.83292 -7.81000 -0.71000 -0.59000 -5.98000 -0.17000 3.74000 -8.97000 0.07000 3.30000 2.41000 0.00000 0.00000 0.00000 0.03000 0.60000 0.00000 -0.52000 0.00000 -0.41000 0.00000 2.38000 64.00000 BUD14_1CKA-23_25.PDB 2.93430 -8.19000 -0.71000 -0.59000 -6.35000 -0.30000 3.81000 -9.58000 0.13000 3.55000 2.85000 0.00000 0.00000 0.00000 0.03000 0.47000 0.00000 -0.48000 0.00000 -0.55000 0.00000 2.38000 64.00000 BUD14_1CKA-23_26.PDB 3.54662 -8.13000 -0.72000 -0.59000 -6.02000 -0.42000 3.50000 -9.25000 0.09000 3.13000 2.94000 0.00000 0.00000 0.00000 0.02000 0.45000 0.00000 -0.15000 0.00000 -0.66000 0.00000 2.38000 64.00000 BUD14_1CKA-23_27.PDB 2.84188 -7.60000 -0.73000 -0.60000 -6.10000 -0.14000 3.94000 -9.18000 0.09000 3.19000 2.45000 0.00000 0.00000 0.00000 0.03000 0.51000 0.00000 -0.20000 0.00000 -0.33000 0.00000 2.38000 64.00000 BUD14_1CKA-23_28.PDB 3.31653 -7.26000 -0.71000 -0.59000 -6.30000 -0.32000 3.85000 -9.45000 0.14000 3.58000 3.09000 0.00000 0.00000 0.00000 0.02000 0.66000 0.00000 -0.12000 0.00000 -0.47000 0.00000 2.38000 64.00000 BUD14_1CKA-23_29.PDB 2.82679 -8.14000 -0.72000 -0.59000 -5.98000 -0.13000 3.60000 -9.06000 0.09000 2.79000 2.40000 0.00000 0.00000 0.00000 0.03000 0.55000 0.00000 -0.22000 0.00000 -0.35000 0.00000 2.38000 64.00000 BUD14_1CKA-23_30.PDB 3.78982 -7.59000 -0.71000 -0.59000 -6.46000 -0.11000 3.82000 -9.67000 0.07000 3.59000 2.89000 0.00000 0.00000 0.00000 0.01000 0.67000 0.00000 -0.09000 0.00000 -0.33000 0.00000 2.38000 64.00000