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_1CKB-21_1.PDB 6.36807 -6.66000 -0.77000 -1.04000 -7.33000 -2.09000 8.11000 -9.72000 1.76000 3.78000 1.52000 0.00000 0.00000 0.00000 0.54000 0.93000 0.00000 -0.37000 0.00000 -1.04000 0.00000 2.38000 67.00000 BUD14_1CKB-21_2.PDB 5.49624 -6.35000 -0.87000 -1.12000 -6.17000 -1.91000 7.93000 -8.00000 1.15000 3.19000 1.35000 0.00000 0.00000 0.00000 0.22000 1.04000 0.00000 -1.06000 0.00000 -1.06000 0.00000 2.38000 67.00000 BUD14_1CKB-21_3.PDB 4.26303 -9.24000 -0.85000 -1.89000 -6.87000 -2.78000 8.35000 -8.71000 0.77000 4.37000 1.06000 0.00000 0.00000 0.00000 0.17000 1.13000 0.00000 -1.17000 0.00000 -1.69000 0.00000 2.38000 67.00000 BUD14_1CKB-21_4.PDB 5.26129 -7.97000 -0.88000 -1.20000 -7.08000 -1.88000 8.02000 -9.27000 1.28000 3.39000 1.38000 0.00000 0.00000 0.00000 0.22000 1.17000 0.00000 -0.94000 0.00000 -1.01000 0.00000 2.38000 67.00000 BUD14_1CKB-21_5.PDB 4.19230 -9.10000 -0.90000 -2.18000 -6.55000 -2.43000 7.97000 -8.43000 0.99000 4.27000 0.92000 0.00000 0.00000 0.00000 0.10000 0.88000 0.00000 -1.33000 0.00000 -1.53000 0.00000 2.38000 67.00000 BUD14_1CKB-21_6.PDB 5.24032 -7.35000 -0.86000 -1.58000 -7.06000 -1.81000 8.21000 -9.19000 1.41000 3.61000 1.46000 0.00000 0.00000 0.00000 0.26000 1.20000 0.00000 -0.97000 0.00000 -0.84000 0.00000 2.38000 67.00000 BUD14_1CKB-21_7.PDB 5.74529 -8.30000 -0.83000 -1.61000 -6.84000 -2.78000 7.87000 -8.77000 1.69000 4.29000 0.96000 0.00000 0.00000 0.00000 0.15000 1.15000 0.00000 -0.76000 0.00000 -1.66000 0.00000 2.38000 67.00000 BUD14_1CKB-21_8.PDB 5.39604 -5.86000 -0.97000 -0.91000 -6.57000 -1.79000 7.99000 -8.46000 1.23000 3.55000 1.48000 0.00000 0.00000 0.00000 0.16000 1.01000 0.00000 -0.67000 0.00000 -0.91000 0.00000 2.38000 67.00000 BUD14_1CKB-21_9.PDB 5.02659 -6.47000 -0.86000 -1.46000 -6.12000 -1.67000 7.61000 -7.96000 1.28000 2.98000 1.45000 0.00000 0.00000 0.00000 0.25000 1.12000 0.00000 -1.14000 0.00000 -0.83000 0.00000 2.38000 67.00000 BUD14_1CKB-21_10.PDB 3.89679 -8.31000 -0.89000 -1.21000 -6.74000 -2.78000 8.33000 -8.67000 1.15000 4.25000 0.93000 0.00000 0.00000 0.00000 0.14000 0.91000 0.00000 -1.13000 0.00000 -1.68000 0.00000 2.38000 67.00000 BUD14_1CKB-21_11.PDB 5.55687 -5.67000 -1.17000 -1.51000 -5.65000 -1.50000 7.57000 -7.27000 1.26000 2.55000 1.49000 0.00000 0.00000 0.00000 0.34000 0.93000 0.00000 -1.12000 0.00000 -0.65000 0.00000 2.38000 67.00000 BUD14_1CKB-21_12.PDB 4.73291 -8.36000 -1.03000 -2.15000 -6.45000 -2.60000 8.10000 -8.15000 0.90000 4.23000 0.90000 0.00000 0.00000 0.00000 0.17000 1.09000 0.00000 -0.73000 0.00000 -1.55000 0.00000 2.38000 67.00000 BUD14_1CKB-21_13.PDB 5.42674 -6.42000 -1.22000 -1.57000 -5.12000 -1.80000 6.69000 -6.82000 1.50000 2.13000 1.53000 0.00000 0.00000 0.00000 0.17000 0.87000 0.00000 -0.95000 0.00000 -0.96000 0.00000 2.38000 67.00000 BUD14_1CKB-21_14.PDB 5.17210 -6.91000 -0.89000 -1.46000 -6.15000 -1.74000 7.32000 -8.10000 1.20000 2.89000 1.43000 0.00000 0.00000 0.00000 0.19000 1.12000 0.00000 -0.67000 0.00000 -0.93000 0.00000 2.38000 67.00000 BUD14_1CKB-21_15.PDB 4.67481 -5.82000 -0.92000 -0.85000 -6.82000 -1.86000 7.46000 -9.05000 2.20000 3.71000 1.34000 0.00000 0.00000 0.00000 0.16000 0.92000 0.00000 -0.18000 0.00000 -1.01000 0.00000 2.38000 67.00000 BUD14_1CKB-21_16.PDB 5.23667 -5.47000 -0.97000 -0.85000 -6.04000 -1.57000 7.78000 -7.78000 1.28000 2.92000 1.42000 0.00000 0.00000 0.00000 0.15000 1.15000 0.00000 -1.11000 0.00000 -0.71000 0.00000 2.38000 67.00000 BUD14_1CKB-21_17.PDB 5.24926 -5.85000 -1.16000 -1.44000 -5.71000 -1.48000 7.48000 -7.33000 1.23000 2.73000 1.54000 0.00000 0.00000 0.00000 0.16000 1.03000 0.00000 -1.19000 0.00000 -0.69000 0.00000 2.38000 67.00000 BUD14_1CKB-21_18.PDB 4.84383 -6.68000 -0.93000 -0.76000 -6.90000 -1.72000 8.26000 -8.94000 1.09000 3.52000 1.65000 0.00000 0.00000 0.00000 0.17000 1.04000 0.00000 -1.24000 0.00000 -0.87000 0.00000 2.38000 67.00000 BUD14_1CKB-21_19.PDB 3.65576 -8.51000 -0.88000 -1.91000 -6.98000 -2.76000 8.63000 -8.82000 0.85000 4.83000 1.10000 0.00000 0.00000 0.00000 0.14000 1.39000 0.00000 -1.04000 0.00000 -1.69000 0.00000 2.38000 67.00000 BUD14_1CKB-21_20.PDB 4.19275 -9.05000 -0.88000 -1.92000 -6.65000 -2.82000 8.31000 -8.37000 0.76000 4.24000 0.97000 0.00000 0.00000 0.00000 0.18000 1.18000 0.00000 -1.10000 0.00000 -1.76000 0.00000 2.38000 67.00000 BUD14_1CKB-21_21.PDB 4.06384 -8.20000 -0.84000 -1.49000 -6.70000 -2.55000 8.03000 -8.53000 0.63000 4.41000 1.26000 0.00000 0.00000 0.00000 0.14000 1.13000 0.00000 -1.03000 0.00000 -1.52000 0.00000 2.38000 67.00000 BUD14_1CKB-21_22.PDB 5.20381 -6.80000 -1.08000 -1.37000 -6.62000 -1.71000 7.99000 -8.59000 1.31000 3.29000 1.68000 0.00000 0.00000 0.00000 0.21000 1.10000 0.00000 -1.13000 0.00000 -0.78000 0.00000 2.38000 67.00000 BUD14_1CKB-21_23.PDB 5.34617 -6.32000 -0.97000 -0.88000 -7.08000 -1.63000 8.17000 -9.22000 1.36000 3.68000 1.46000 0.00000 0.00000 0.00000 0.41000 1.11000 0.00000 -0.91000 0.00000 -0.72000 0.00000 2.38000 67.00000 BUD14_1CKB-21_24.PDB 4.90850 -7.31000 -1.03000 -1.82000 -6.08000 -2.21000 7.59000 -7.78000 0.95000 4.16000 0.80000 0.00000 0.00000 0.00000 0.11000 0.64000 0.00000 -0.67000 0.00000 -1.32000 0.00000 2.38000 67.00000 BUD14_1CKB-21_25.PDB 4.93800 -6.51000 -1.00000 -0.80000 -6.87000 -1.78000 8.18000 -8.90000 1.51000 3.49000 1.77000 0.00000 0.00000 0.00000 0.15000 1.26000 0.00000 -1.40000 0.00000 -0.86000 0.00000 2.38000 67.00000 BUD14_1CKB-21_26.PDB 4.51859 -7.54000 -0.86000 -2.16000 -6.94000 -2.73000 8.66000 -8.75000 1.26000 4.94000 0.90000 0.00000 0.00000 0.00000 0.15000 1.16000 0.00000 -0.40000 0.00000 -1.62000 0.00000 2.38000 67.00000 BUD14_1CKB-21_27.PDB 4.48551 -8.77000 -0.90000 -2.28000 -6.88000 -2.66000 8.25000 -8.77000 1.47000 4.61000 0.98000 0.00000 0.00000 0.00000 0.11000 1.17000 0.00000 -1.11000 0.00000 -1.59000 0.00000 2.38000 67.00000 BUD14_1CKB-21_28.PDB 5.28399 -5.85000 -1.18000 -1.46000 -5.01000 -1.58000 6.56000 -6.65000 1.16000 2.04000 1.47000 0.00000 0.00000 0.00000 0.13000 0.82000 0.00000 -0.57000 0.00000 -0.76000 0.00000 2.38000 67.00000 BUD14_1CKB-21_29.PDB 4.54798 -5.47000 -0.86000 -0.68000 -7.12000 -1.78000 8.58000 -9.16000 1.15000 3.77000 2.04000 0.00000 0.00000 0.00000 0.20000 1.17000 0.00000 -0.87000 0.00000 -0.74000 0.00000 2.38000 67.00000 BUD14_1CKB-21_30.PDB 5.60684 -6.66000 -0.83000 -1.13000 -6.97000 -1.63000 7.95000 -9.09000 1.83000 3.14000 1.39000 0.00000 0.00000 0.00000 0.26000 1.30000 0.00000 -0.88000 0.00000 -0.70000 0.00000 2.38000 67.00000