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-12_1.PDB 4.08735 -6.82000 -0.33000 -1.01000 -4.24000 -2.04000 4.35000 -5.17000 0.08000 2.62000 0.46000 0.00000 0.00000 0.00000 0.01000 0.51000 0.00000 -0.09000 0.00000 -1.45000 0.00000 2.38000 65.00000 BUD14_1CKB-12_2.PDB 4.35325 -6.25000 -0.35000 -1.11000 -4.54000 -1.99000 4.77000 -5.45000 0.08000 3.04000 0.94000 0.00000 0.00000 0.00000 0.01000 0.39000 0.00000 -0.22000 0.00000 -1.42000 0.00000 2.38000 65.00000 BUD14_1CKB-12_3.PDB 3.31067 -7.52000 -0.29000 -2.83000 -4.24000 -1.97000 4.04000 -5.44000 0.20000 3.33000 0.92000 0.00000 0.00000 0.00000 0.02000 0.24000 0.00000 -0.12000 0.00000 -1.13000 0.00000 2.38000 65.00000 BUD14_1CKB-12_4.PDB 4.35257 -6.52000 -2.04000 -2.73000 -4.72000 -2.05000 6.33000 -5.57000 0.10000 4.12000 1.81000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.32000 0.00000 -1.45000 0.00000 2.38000 65.00000 BUD14_1CKB-12_5.PDB 4.07516 -6.88000 -0.34000 -1.01000 -4.16000 -2.03000 4.28000 -5.08000 0.09000 2.56000 0.37000 0.00000 0.00000 0.00000 0.01000 0.51000 0.00000 -0.13000 0.00000 -1.44000 0.00000 2.38000 65.00000 BUD14_1CKB-12_6.PDB 3.85872 -6.01000 -0.31000 -1.03000 -4.18000 -1.95000 4.36000 -5.12000 0.07000 2.72000 1.07000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.31000 0.00000 -1.35000 0.00000 2.38000 65.00000 BUD14_1CKB-12_7.PDB 4.21665 -6.13000 -0.34000 -1.06000 -4.52000 -2.01000 4.69000 -5.43000 0.09000 3.03000 0.92000 0.00000 0.00000 0.00000 0.01000 0.40000 0.00000 -0.08000 0.00000 -1.44000 0.00000 2.38000 65.00000 BUD14_1CKB-12_8.PDB 4.13200 -7.12000 -0.34000 -0.96000 -4.28000 -2.05000 4.31000 -5.26000 0.08000 2.68000 0.42000 0.00000 0.00000 0.00000 0.01000 0.52000 0.00000 -0.25000 0.00000 -1.47000 0.00000 2.38000 65.00000 BUD14_1CKB-12_9.PDB 4.53195 -6.29000 -0.39000 -1.08000 -4.70000 -2.01000 4.86000 -5.63000 0.19000 3.17000 1.01000 0.00000 0.00000 0.00000 0.02000 0.42000 0.00000 -0.28000 0.00000 -1.45000 0.00000 2.38000 65.00000 BUD14_1CKB-12_10.PDB 4.07831 -6.79000 -0.39000 -1.02000 -4.17000 -2.02000 4.27000 -5.08000 0.10000 2.59000 0.46000 0.00000 0.00000 0.00000 0.01000 0.53000 0.00000 -0.09000 0.00000 -1.45000 0.00000 2.38000 65.00000 BUD14_1CKB-12_11.PDB 3.90309 -5.97000 -0.34000 -1.03000 -4.18000 -1.93000 4.38000 -5.12000 0.07000 2.73000 1.08000 0.00000 0.00000 0.00000 0.01000 0.42000 0.00000 -0.29000 0.00000 -1.35000 0.00000 2.38000 65.00000 BUD14_1CKB-12_12.PDB 4.44475 -7.94000 -0.32000 -2.88000 -4.74000 -2.08000 5.17000 -5.57000 0.18000 3.45000 0.58000 0.00000 0.00000 0.00000 0.01000 0.42000 0.00000 -0.22000 0.00000 -1.50000 0.00000 2.38000 65.00000 BUD14_1CKB-12_13.PDB 3.93348 -6.10000 -0.34000 -1.07000 -4.13000 -2.00000 4.28000 -5.08000 0.07000 2.73000 1.09000 0.00000 0.00000 0.00000 0.01000 0.42000 0.00000 -0.26000 0.00000 -1.40000 0.00000 2.38000 65.00000 BUD14_1CKB-12_14.PDB 3.20391 -7.45000 -0.34000 -2.65000 -4.75000 -2.05000 5.00000 -5.70000 0.22000 3.38000 1.11000 0.00000 0.00000 0.00000 0.02000 0.50000 0.00000 -0.21000 0.00000 -1.49000 0.00000 2.38000 65.00000 BUD14_1CKB-12_15.PDB 3.99873 -5.64000 -0.34000 -0.98000 -3.96000 -1.99000 4.52000 -4.62000 0.01000 2.44000 0.93000 0.00000 0.00000 0.00000 0.01000 0.54000 0.00000 -0.25000 0.00000 -1.42000 0.00000 2.38000 65.00000 BUD14_1CKB-12_16.PDB 3.97754 -7.48000 -0.33000 -2.88000 -4.81000 -2.01000 5.25000 -5.67000 0.45000 3.47000 0.93000 0.00000 0.00000 0.00000 0.02000 0.41000 0.00000 -0.46000 0.00000 -1.43000 0.00000 2.38000 65.00000 BUD14_1CKB-12_17.PDB 4.26090 -6.42000 -0.34000 -1.09000 -4.51000 -2.00000 4.60000 -5.47000 0.12000 3.04000 0.92000 0.00000 0.00000 0.00000 0.02000 0.38000 0.00000 -0.25000 0.00000 -1.46000 0.00000 2.38000 65.00000 BUD14_1CKB-12_18.PDB 3.93324 -6.10000 -0.34000 -1.09000 -4.20000 -1.99000 4.40000 -5.15000 0.07000 2.76000 1.07000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.26000 0.00000 -1.40000 0.00000 2.38000 65.00000 BUD14_1CKB-12_19.PDB 4.57138 -6.57000 -0.34000 -3.47000 -4.53000 -2.01000 5.62000 -5.04000 0.24000 3.30000 1.36000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.31000 0.00000 -1.42000 0.00000 2.38000 65.00000 BUD14_1CKB-12_20.PDB 4.32613 -6.53000 -2.01000 -4.44000 -4.61000 -1.97000 6.88000 -5.18000 0.14000 4.21000 2.23000 0.00000 0.00000 0.00000 0.01000 0.50000 0.00000 -0.42000 0.00000 -1.37000 0.00000 2.38000 65.00000 BUD14_1CKB-12_21.PDB 3.99773 -5.90000 -0.34000 -0.90000 -4.26000 -2.03000 4.38000 -5.25000 0.08000 2.78000 1.15000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.09000 0.00000 -1.43000 0.00000 2.38000 65.00000 BUD14_1CKB-12_22.PDB 4.67976 -7.32000 -0.34000 -3.59000 -4.73000 -2.01000 5.81000 -5.40000 0.26000 3.43000 0.91000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.18000 0.00000 -1.48000 0.00000 2.38000 65.00000 BUD14_1CKB-12_23.PDB 4.33835 -6.52000 -0.32000 -3.52000 -4.46000 -2.02000 5.46000 -5.03000 0.30000 3.24000 1.25000 0.00000 0.00000 0.00000 0.01000 0.47000 0.00000 -0.02000 0.00000 -1.39000 0.00000 2.38000 65.00000 BUD14_1CKB-12_24.PDB 4.57906 -6.68000 -0.33000 -3.51000 -4.48000 -1.94000 5.49000 -5.04000 0.23000 3.28000 1.31000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.30000 0.00000 -1.41000 0.00000 2.38000 65.00000 BUD14_1CKB-12_25.PDB 4.12970 -5.14000 -0.33000 -1.09000 -3.91000 -1.77000 4.19000 -4.67000 0.09000 2.37000 1.40000 0.00000 0.00000 0.00000 0.02000 0.50000 0.00000 -0.06000 0.00000 -1.37000 0.00000 2.38000 65.00000 BUD14_1CKB-12_26.PDB 4.59380 -6.80000 -0.34000 -3.50000 -4.43000 -1.90000 5.45000 -4.98000 0.26000 3.16000 0.95000 0.00000 0.00000 0.00000 0.01000 0.49000 0.00000 -0.08000 0.00000 -1.41000 0.00000 2.38000 65.00000 BUD14_1CKB-12_27.PDB 4.04480 -8.08000 -0.40000 -1.17000 -5.25000 -2.00000 4.49000 -6.83000 0.27000 3.40000 0.94000 0.00000 0.00000 0.00000 0.00000 0.51000 0.00000 -0.16000 0.00000 -1.35000 0.00000 2.38000 65.00000 BUD14_1CKB-12_28.PDB 4.42015 -6.57000 -0.32000 -3.48000 -4.55000 -2.04000 5.66000 -5.11000 0.29000 3.17000 1.33000 0.00000 0.00000 0.00000 0.01000 0.52000 0.00000 -0.08000 0.00000 -1.45000 0.00000 2.38000 65.00000 BUD14_1CKB-12_29.PDB 4.56417 -6.45000 -0.33000 -3.55000 -4.53000 -2.00000 5.67000 -5.03000 0.23000 3.32000 1.32000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.13000 0.00000 -1.43000 0.00000 2.38000 65.00000 BUD14_1CKB-12_30.PDB 4.88244 -4.89000 -0.39000 -1.16000 -4.18000 -1.92000 4.85000 -4.80000 0.04000 2.83000 1.33000 0.00000 0.00000 0.00000 0.01000 0.42000 0.00000 -0.09000 0.00000 -1.40000 0.00000 2.38000 65.00000