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-23_1.PDB 3.18487 -7.98000 -0.74000 -0.62000 -5.49000 -0.01000 3.12000 -8.48000 0.05000 2.35000 1.90000 0.00000 0.00000 0.00000 0.00000 0.44000 0.00000 -0.04000 0.00000 -0.03000 0.00000 2.38000 64.00000 BUD14_1CKB-23_2.PDB 3.35131 -8.64000 -0.71000 -1.66000 -6.08000 0.01000 3.84000 -9.16000 0.07000 2.96000 2.14000 0.00000 0.00000 0.00000 0.01000 0.64000 0.00000 -0.03000 0.00000 -0.03000 0.00000 2.38000 64.00000 BUD14_1CKB-23_3.PDB 3.23077 -7.94000 -0.73000 -0.71000 -5.78000 -0.06000 3.44000 -8.90000 0.09000 2.78000 1.97000 0.00000 0.00000 0.00000 0.02000 0.44000 0.00000 -0.03000 0.00000 -0.03000 0.00000 2.38000 64.00000 BUD14_1CKB-23_4.PDB 4.08817 -8.59000 -0.72000 -1.71000 -5.94000 -0.03000 3.75000 -8.91000 0.15000 2.84000 2.08000 0.00000 0.00000 0.00000 0.00000 0.61000 0.00000 -0.07000 0.00000 -0.02000 0.00000 2.38000 64.00000 BUD14_1CKB-23_5.PDB 2.53616 -7.65000 -0.71000 -0.59000 -5.61000 -0.03000 3.31000 -8.57000 0.13000 2.40000 2.10000 0.00000 0.00000 0.00000 0.02000 0.50000 0.00000 -0.07000 0.00000 -0.05000 0.00000 2.38000 64.00000 BUD14_1CKB-23_6.PDB 2.79271 -8.42000 -0.71000 -1.66000 -6.22000 -0.01000 4.01000 -9.29000 0.11000 3.00000 2.40000 0.00000 0.00000 0.00000 0.03000 0.67000 0.00000 -0.04000 0.00000 -0.04000 0.00000 2.38000 64.00000 BUD14_1CKB-23_7.PDB 3.58005 -7.52000 -0.71000 -0.59000 -6.02000 -0.04000 3.71000 -9.12000 0.10000 2.91000 2.34000 0.00000 0.00000 0.00000 0.01000 0.54000 0.00000 -0.08000 0.00000 -0.04000 0.00000 2.38000 64.00000 BUD14_1CKB-23_8.PDB 2.88339 -7.79000 -0.74000 -0.62000 -5.64000 -0.02000 3.24000 -8.72000 0.09000 2.50000 2.23000 0.00000 0.00000 0.00000 0.00000 0.43000 0.00000 -0.05000 0.00000 -0.07000 0.00000 2.38000 64.00000 BUD14_1CKB-23_9.PDB 3.31621 -8.47000 -0.71000 -1.66000 -6.27000 0.01000 4.02000 -9.33000 0.11000 3.16000 2.31000 0.00000 0.00000 0.00000 0.02000 0.66000 0.00000 -0.09000 0.00000 -0.03000 0.00000 2.38000 64.00000 BUD14_1CKB-23_10.PDB 2.53716 -8.24000 -0.73000 -1.68000 -6.04000 -0.03000 3.81000 -9.01000 0.44000 2.71000 2.37000 0.00000 0.00000 0.00000 0.01000 0.59000 0.00000 -0.03000 0.00000 -0.05000 0.00000 2.38000 64.00000 BUD14_1CKB-23_11.PDB 3.48522 -8.26000 -0.71000 -2.13000 -5.99000 0.06000 4.38000 -8.65000 0.09000 2.92000 1.95000 0.00000 0.00000 0.00000 0.03000 0.55000 0.00000 -0.28000 0.00000 0.06000 0.00000 2.38000 64.00000 BUD14_1CKB-23_12.PDB 2.97571 -8.34000 -0.71000 -0.59000 -6.21000 -0.24000 3.76000 -9.56000 0.19000 3.00000 2.35000 0.00000 0.00000 0.00000 0.04000 0.57000 0.00000 -0.04000 0.00000 -0.33000 0.00000 2.38000 64.00000 BUD14_1CKB-23_13.PDB 3.68910 -7.86000 -0.71000 -0.59000 -5.60000 -0.04000 3.21000 -8.65000 0.09000 2.55000 1.96000 0.00000 0.00000 0.00000 0.00000 0.47000 0.00000 -0.03000 0.00000 -0.05000 0.00000 2.38000 64.00000 BUD14_1CKB-23_14.PDB 3.65507 -8.64000 -0.71000 -1.66000 -6.17000 -0.12000 3.98000 -9.18000 0.06000 3.11000 2.32000 0.00000 0.00000 0.00000 0.02000 0.64000 0.00000 -0.08000 0.00000 -0.21000 0.00000 2.38000 64.00000 BUD14_1CKB-23_15.PDB 2.70269 -8.03000 -0.74000 -0.62000 -5.70000 -0.01000 3.20000 -8.91000 0.12000 2.50000 2.23000 0.00000 0.00000 0.00000 0.00000 0.38000 0.00000 -0.02000 0.00000 -0.08000 0.00000 2.38000 64.00000 BUD14_1CKB-23_16.PDB 3.54431 -8.34000 -0.71000 -1.72000 -5.77000 -0.01000 3.60000 -8.65000 0.21000 2.74000 2.02000 0.00000 0.00000 0.00000 0.01000 0.61000 0.00000 -0.03000 0.00000 -0.03000 0.00000 2.38000 64.00000 BUD14_1CKB-23_17.PDB 3.95891 -7.58000 -0.68000 -2.19000 -5.88000 0.12000 4.46000 -8.58000 0.13000 3.04000 2.09000 0.00000 0.00000 0.00000 0.01000 0.49000 0.00000 -0.18000 0.00000 0.09000 0.00000 2.38000 64.00000 BUD14_1CKB-23_18.PDB 3.38523 -7.58000 -0.71000 -0.59000 -5.76000 -0.02000 3.43000 -8.85000 0.14000 2.63000 2.23000 0.00000 0.00000 0.00000 0.02000 0.59000 0.00000 -0.06000 0.00000 -0.05000 0.00000 2.38000 64.00000 BUD14_1CKB-23_19.PDB 3.86336 -7.85000 -0.71000 -1.66000 -6.01000 0.00000 3.95000 -8.97000 0.15000 2.94000 2.60000 0.00000 0.00000 0.00000 0.02000 0.55000 0.00000 -0.12000 0.00000 -0.05000 0.00000 2.38000 64.00000 BUD14_1CKB-23_20.PDB 2.79393 -8.76000 -0.69000 -1.66000 -6.15000 -0.00000 3.74000 -9.34000 0.09000 3.01000 2.29000 0.00000 0.00000 0.00000 0.03000 0.68000 0.00000 -0.01000 0.00000 -0.08000 0.00000 2.38000 64.00000 BUD14_1CKB-23_21.PDB 2.72761 -8.14000 -0.75000 -2.28000 -5.92000 -0.01000 3.94000 -8.76000 0.12000 3.61000 1.96000 0.00000 0.00000 0.00000 0.00000 0.51000 0.00000 -0.02000 0.00000 -0.03000 0.00000 2.38000 64.00000 BUD14_1CKB-23_22.PDB 4.12265 -8.59000 -0.72000 -3.36000 -6.43000 0.03000 4.72000 -9.21000 0.22000 4.08000 2.21000 0.00000 0.00000 0.00000 0.02000 0.67000 0.00000 -0.08000 0.00000 -0.07000 0.00000 2.38000 64.00000 BUD14_1CKB-23_23.PDB 2.79101 -8.80000 -0.75000 -2.38000 -5.81000 -0.28000 3.72000 -8.86000 0.07000 3.63000 2.20000 0.00000 0.00000 0.00000 0.00000 0.45000 0.00000 -0.05000 0.00000 -0.29000 0.00000 2.38000 64.00000 BUD14_1CKB-23_24.PDB 2.68747 -7.95000 -0.73000 -0.61000 -5.78000 -0.01000 3.33000 -8.92000 0.11000 2.54000 2.23000 0.00000 0.00000 0.00000 0.02000 0.45000 0.00000 -0.06000 0.00000 -0.07000 0.00000 2.38000 64.00000 BUD14_1CKB-23_25.PDB 4.23497 -8.16000 -0.72000 -1.72000 -5.99000 -0.15000 3.89000 -8.94000 0.59000 2.80000 2.31000 0.00000 0.00000 0.00000 0.02000 0.61000 0.00000 -0.07000 0.00000 -0.20000 0.00000 2.38000 64.00000 BUD14_1CKB-23_26.PDB 3.75520 -8.42000 -0.71000 -1.67000 -6.26000 0.03000 4.08000 -9.27000 0.05000 3.16000 2.32000 0.00000 0.00000 0.00000 0.02000 0.65000 0.00000 -0.10000 0.00000 -0.07000 0.00000 2.38000 64.00000 BUD14_1CKB-23_27.PDB 2.30212 -8.57000 -0.73000 -2.37000 -5.88000 -0.14000 3.51000 -9.04000 0.22000 3.60000 2.33000 0.00000 0.00000 0.00000 0.01000 0.45000 0.00000 -0.03000 0.00000 -0.04000 0.00000 2.38000 64.00000 BUD14_1CKB-23_28.PDB 3.22056 -8.10000 -0.71000 -0.68000 -5.79000 0.02000 3.12000 -8.92000 0.06000 2.69000 2.22000 0.00000 0.00000 0.00000 0.00000 0.54000 0.00000 -0.04000 0.00000 -0.06000 0.00000 2.38000 64.00000 BUD14_1CKB-23_29.PDB 3.49095 -8.37000 -0.71000 -1.65000 -5.73000 -0.01000 3.46000 -8.63000 0.12000 2.62000 2.22000 0.00000 0.00000 0.00000 0.01000 0.58000 0.00000 -0.04000 0.00000 -0.04000 0.00000 2.38000 64.00000 BUD14_1CKB-23_30.PDB 3.44968 -8.29000 -0.71000 -2.18000 -5.98000 0.07000 4.27000 -8.68000 0.10000 2.98000 2.07000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.32000 0.00000 0.06000 0.00000 2.38000 64.00000