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-7_1.PDB 2.87705 -5.19000 -0.07000 0.00000 -6.01000 -0.00000 4.16000 -9.14000 1.23000 2.74000 2.23000 0.00000 0.00000 0.00000 0.01000 0.29000 0.00000 -0.29000 0.00000 -0.06000 0.00000 2.38000 65.00000 BUD14_1CKA-7_2.PDB 3.28372 -5.69000 -0.08000 0.00000 -6.71000 0.37000 4.38000 -10.29000 1.19000 2.92000 2.38000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.25000 0.00000 0.40000 0.00000 2.38000 65.00000 BUD14_1CKA-7_3.PDB 2.90755 -5.24000 -0.07000 -0.00000 -6.19000 0.18000 4.25000 -9.45000 1.30000 2.61000 2.21000 0.00000 0.00000 0.00000 0.00000 0.36000 0.00000 -0.22000 0.00000 0.14000 0.00000 2.38000 65.00000 BUD14_1CKA-7_4.PDB 5.20754 -6.79000 -0.36000 -0.28000 -6.16000 0.30000 3.87000 -9.55000 0.17000 2.83000 2.33000 0.00000 0.00000 0.00000 0.02000 0.37000 0.00000 -0.24000 0.00000 0.27000 0.00000 2.38000 65.00000 BUD14_1CKA-7_5.PDB 2.99218 -6.70000 -0.90000 -0.81000 -6.20000 -0.35000 4.41000 -9.37000 1.22000 3.73000 2.30000 0.00000 0.00000 0.00000 0.01000 0.34000 0.00000 -0.30000 0.00000 -0.45000 0.00000 2.38000 65.00000 BUD14_1CKA-7_6.PDB 3.29260 -6.23000 -0.08000 0.00000 -7.38000 0.06000 5.17000 -11.08000 1.44000 3.52000 2.48000 0.00000 0.00000 0.00000 0.02000 0.48000 0.00000 -0.40000 0.00000 0.02000 0.00000 2.38000 65.00000 BUD14_1CKA-7_7.PDB 3.14362 -6.35000 -0.89000 -0.83000 -6.11000 -0.19000 4.31000 -9.22000 1.26000 3.50000 2.39000 0.00000 0.00000 0.00000 0.01000 0.38000 0.00000 -0.31000 0.00000 -0.28000 0.00000 2.38000 65.00000 BUD14_1CKA-7_8.PDB 2.90107 -5.46000 -0.07000 0.00000 -6.07000 -0.06000 4.10000 -9.27000 1.18000 2.83000 2.24000 0.00000 0.00000 0.00000 0.00000 0.26000 0.00000 -0.22000 0.00000 -0.11000 0.00000 2.38000 65.00000 BUD14_1CKA-7_9.PDB 3.14993 -5.97000 -0.08000 0.00000 -6.94000 0.34000 4.24000 -10.70000 1.25000 3.10000 2.66000 0.00000 0.00000 0.00000 0.02000 0.53000 0.00000 -0.22000 0.00000 0.36000 0.00000 2.38000 65.00000 BUD14_1CKA-7_10.PDB 3.23370 -7.21000 -0.98000 -0.86000 -7.16000 -0.09000 5.17000 -10.74000 1.19000 4.25000 2.33000 0.00000 0.00000 0.00000 0.02000 0.63000 0.00000 -0.18000 0.00000 -0.17000 0.00000 2.38000 65.00000 BUD14_1CKA-7_11.PDB 3.08624 -5.10000 -0.02000 0.00000 -6.40000 -0.06000 4.49000 -9.62000 0.95000 3.38000 2.19000 0.00000 0.00000 0.00000 0.04000 0.22000 0.00000 -0.22000 0.00000 0.17000 0.00000 2.38000 65.00000 BUD14_1CKA-7_12.PDB 3.22002 -5.16000 0.00000 -1.76000 -7.02000 -0.35000 5.98000 -10.10000 1.05000 5.17000 2.41000 0.00000 0.00000 0.00000 0.04000 0.12000 0.00000 -0.24000 0.00000 -0.35000 0.00000 2.38000 65.00000 BUD14_1CKA-7_13.PDB 3.30581 -1.14000 -0.03000 0.00000 -7.68000 0.16000 5.69000 -11.38000 5.50000 4.16000 2.34000 0.00000 0.00000 0.00000 0.13000 0.38000 0.00000 -0.41000 0.00000 0.38000 0.00000 2.38000 65.00000 BUD14_1CKA-7_14.PDB 3.25420 -5.47000 -0.04000 -1.69000 -7.33000 0.38000 5.51000 -10.88000 1.33000 4.82000 2.24000 0.00000 0.00000 0.00000 0.09000 0.39000 0.00000 -0.28000 0.00000 0.39000 0.00000 2.38000 65.00000 BUD14_1CKA-7_15.PDB 3.01337 -6.29000 -0.88000 -0.79000 -6.31000 -0.27000 4.58000 -9.45000 1.22000 3.72000 2.50000 0.00000 0.00000 0.00000 0.01000 0.34000 0.00000 -0.26000 0.00000 -0.37000 0.00000 2.38000 65.00000 BUD14_1CKA-7_16.PDB 3.60483 -5.04000 -0.05000 0.00000 -6.93000 -0.31000 4.85000 -10.44000 1.93000 3.85000 2.38000 0.00000 0.00000 0.00000 0.04000 0.25000 0.00000 -0.22000 0.00000 -0.15000 0.00000 2.38000 65.00000 BUD14_1CKA-7_17.PDB 3.14432 -4.69000 -0.10000 0.00000 -6.25000 0.33000 4.37000 -9.40000 1.04000 2.84000 2.51000 0.00000 0.00000 0.00000 0.01000 0.39000 0.00000 -0.29000 0.00000 0.26000 0.00000 2.38000 65.00000 BUD14_1CKA-7_18.PDB 3.30969 -4.98000 0.00000 -1.76000 -6.95000 -0.47000 6.03000 -9.94000 1.35000 5.10000 2.41000 0.00000 0.00000 0.00000 0.05000 0.12000 0.00000 -0.32000 0.00000 -0.47000 0.00000 2.38000 65.00000 BUD14_1CKA-7_19.PDB 4.24249 -8.00000 -1.12000 -1.00000 -6.65000 0.03000 4.40000 -10.14000 0.10000 3.94000 2.70000 0.00000 0.00000 0.00000 0.02000 0.65000 0.00000 -0.30000 0.00000 0.02000 0.00000 2.38000 65.00000 BUD14_1CKA-7_20.PDB 4.61533 -5.81000 -0.86000 -0.84000 -6.52000 -0.40000 4.91000 -9.62000 1.28000 4.27000 2.29000 0.00000 0.00000 0.00000 0.03000 0.22000 0.00000 -0.22000 0.00000 -0.14000 0.00000 2.38000 65.00000 BUD14_1CKA-7_21.PDB 3.20690 -6.62000 -0.89000 -2.55000 -7.52000 -0.88000 6.80000 -10.54000 1.14000 6.30000 2.60000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.28000 0.00000 -0.84000 0.00000 2.38000 65.00000 BUD14_1CKA-7_22.PDB 3.51782 -5.09000 -0.02000 0.00000 -6.93000 0.31000 4.61000 -10.46000 1.09000 3.53000 2.51000 0.00000 0.00000 0.00000 0.18000 0.21000 0.00000 -0.22000 0.00000 0.30000 0.00000 2.38000 65.00000 BUD14_1CKA-7_23.PDB 3.08096 -4.56000 -0.13000 0.00000 -6.82000 0.47000 4.83000 -10.24000 1.68000 3.15000 2.18000 0.00000 0.00000 0.00000 0.02000 0.49000 0.00000 -0.21000 0.00000 0.51000 0.00000 2.38000 65.00000 BUD14_1CKA-7_24.PDB 4.24586 -6.77000 -0.25000 -0.18000 -5.94000 0.07000 3.80000 -9.24000 0.12000 2.81000 2.22000 0.00000 0.00000 0.00000 0.01000 0.38000 0.00000 -0.21000 0.00000 0.02000 0.00000 2.38000 65.00000 BUD14_1CKA-7_25.PDB 4.10248 -6.03000 -0.03000 -1.60000 -7.49000 0.30000 5.54000 -11.19000 1.11000 4.83000 2.27000 0.00000 0.00000 0.00000 0.17000 0.41000 0.00000 -0.23000 0.00000 0.29000 0.00000 2.38000 65.00000 BUD14_1CKA-7_26.PDB 4.41425 -5.49000 -0.41000 -0.30000 -5.37000 0.18000 4.07000 -8.00000 0.15000 2.25000 2.01000 0.00000 0.00000 0.00000 0.00000 0.30000 0.00000 -0.19000 0.00000 0.11000 0.00000 2.38000 65.00000 BUD14_1CKA-7_27.PDB 4.03795 -6.63000 -0.86000 -0.83000 -7.51000 -0.02000 5.03000 -11.31000 1.59000 4.96000 2.48000 0.00000 0.00000 0.00000 0.13000 0.35000 0.00000 -0.32000 0.00000 0.02000 0.00000 2.38000 65.00000 BUD14_1CKA-7_28.PDB 3.28775 -6.34000 -0.85000 -2.33000 -7.16000 -0.00000 5.72000 -10.43000 1.15000 5.31000 2.47000 0.00000 0.00000 0.00000 0.05000 0.23000 0.00000 -0.24000 0.00000 -0.02000 0.00000 2.38000 65.00000 BUD14_1CKA-7_29.PDB 3.12853 -5.52000 -0.02000 0.00000 -6.63000 -0.21000 4.50000 -9.96000 1.03000 3.64000 2.31000 0.00000 0.00000 0.00000 0.04000 0.26000 0.00000 -0.22000 0.00000 0.00000 0.00000 2.38000 65.00000 BUD14_1CKA-7_30.PDB 3.21767 -6.30000 -0.80000 -0.78000 -6.91000 -0.35000 5.00000 -10.23000 1.09000 4.49000 2.58000 0.00000 0.00000 0.00000 0.05000 0.25000 0.00000 -0.26000 0.00000 -0.18000 0.00000 2.38000 65.00000