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-14_1.PDB 4.09430 -7.58000 -0.45000 -0.52000 -8.54000 -0.18000 7.42000 -12.52000 0.41000 4.25000 2.64000 0.00000 0.00000 0.00000 0.25000 0.64000 0.00000 -0.21000 0.00000 -0.11000 0.00000 2.38000 66.00000 BUD14_1CKA-14_2.PDB 3.11880 -6.07000 -0.41000 -0.44000 -7.91000 0.09000 7.11000 -11.77000 0.80000 3.65000 2.74000 0.00000 0.00000 0.00000 0.12000 0.62000 0.00000 -0.25000 0.00000 0.20000 0.00000 2.38000 66.00000 BUD14_1CKA-14_3.PDB 2.71894 -6.44000 -0.41000 -0.48000 -7.81000 -0.04000 7.38000 -11.43000 0.22000 3.61000 2.75000 0.00000 0.00000 0.00000 0.05000 0.82000 0.00000 -0.32000 0.00000 0.03000 0.00000 2.38000 66.00000 BUD14_1CKA-14_4.PDB 3.08965 -7.63000 -0.41000 -0.51000 -8.52000 0.04000 7.55000 -12.65000 0.43000 3.68000 2.81000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -0.27000 0.00000 0.18000 0.00000 2.38000 66.00000 BUD14_1CKA-14_5.PDB 2.89891 -6.86000 -0.43000 -1.83000 -7.94000 0.11000 7.44000 -11.83000 1.09000 3.68000 2.70000 0.00000 0.00000 0.00000 0.11000 0.88000 0.00000 -0.24000 0.00000 0.28000 0.00000 2.38000 66.00000 BUD14_1CKA-14_6.PDB 2.78498 -8.18000 -0.45000 -1.84000 -8.25000 -0.19000 7.81000 -12.00000 0.43000 3.94000 2.80000 0.00000 0.00000 0.00000 0.05000 0.88000 0.00000 -0.31000 0.00000 -0.16000 0.00000 2.38000 66.00000 BUD14_1CKA-14_7.PDB 3.75253 -8.71000 -0.45000 -1.87000 -9.00000 -0.04000 7.91000 -13.28000 1.23000 4.13000 2.85000 0.00000 0.00000 0.00000 0.07000 0.62000 0.00000 -0.29000 0.00000 0.03000 0.00000 2.38000 66.00000 BUD14_1CKA-14_8.PDB 3.48831 -8.17000 -0.44000 -0.55000 -8.84000 -0.01000 7.41000 -13.05000 0.46000 4.17000 2.81000 0.00000 0.00000 0.00000 0.10000 0.56000 0.00000 -0.31000 0.00000 0.07000 0.00000 2.38000 66.00000 BUD14_1CKA-14_9.PDB 2.69376 -7.16000 -0.45000 -0.52000 -7.93000 0.14000 6.62000 -11.88000 0.48000 3.53000 2.76000 0.00000 0.00000 0.00000 0.04000 0.85000 0.00000 -0.24000 0.00000 0.29000 0.00000 2.38000 66.00000 BUD14_1CKA-14_10.PDB 3.14523 -7.15000 -0.44000 -1.85000 -8.15000 0.10000 7.38000 -12.23000 1.29000 3.88000 2.72000 0.00000 0.00000 0.00000 0.15000 0.86000 0.00000 -0.26000 0.00000 0.26000 0.00000 2.38000 66.00000 BUD14_1CKA-14_11.PDB 3.23410 -6.10000 -1.31000 -1.36000 -7.70000 -0.07000 8.27000 -11.18000 0.13000 4.40000 2.93000 0.00000 0.00000 0.00000 0.07000 0.59000 0.00000 -0.27000 0.00000 -0.02000 0.00000 2.38000 66.00000 BUD14_1CKA-14_12.PDB 3.41121 -5.20000 -1.30000 -1.36000 -7.73000 0.13000 7.91000 -11.35000 0.96000 4.28000 3.24000 0.00000 0.00000 0.00000 0.12000 0.63000 0.00000 -0.35000 0.00000 0.23000 0.00000 2.38000 66.00000 BUD14_1CKA-14_13.PDB 2.69030 -6.70000 -0.44000 -0.52000 -7.96000 -0.13000 7.12000 -11.68000 0.49000 3.86000 2.81000 0.00000 0.00000 0.00000 0.04000 0.92000 0.00000 -0.26000 0.00000 -0.02000 0.00000 2.38000 66.00000 BUD14_1CKA-14_14.PDB 3.86489 -9.91000 -0.45000 -1.84000 -9.02000 -0.16000 8.11000 -13.22000 0.33000 3.89000 2.66000 0.00000 0.00000 0.00000 0.12000 0.65000 0.00000 -0.30000 0.00000 -0.04000 0.00000 2.38000 66.00000 BUD14_1CKA-14_15.PDB 3.25911 -7.34000 -0.42000 -0.54000 -8.34000 0.11000 7.29000 -12.46000 0.68000 3.61000 2.63000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.27000 0.00000 0.31000 0.00000 2.38000 66.00000 BUD14_1CKA-14_16.PDB 2.77103 -7.30000 -0.45000 -1.84000 -8.13000 0.10000 7.29000 -12.19000 1.31000 3.81000 2.74000 0.00000 0.00000 0.00000 0.05000 0.86000 0.00000 -0.25000 0.00000 0.26000 0.00000 2.38000 66.00000 BUD14_1CKA-14_17.PDB 3.45805 -8.65000 -0.45000 -1.88000 -8.62000 0.02000 7.71000 -12.59000 0.36000 3.93000 3.02000 0.00000 0.00000 0.00000 0.15000 0.59000 0.00000 -0.38000 0.00000 0.08000 0.00000 2.38000 66.00000 BUD14_1CKA-14_18.PDB 3.00063 -6.49000 -0.41000 -1.76000 -7.68000 0.18000 7.27000 -11.60000 0.90000 3.51000 2.99000 0.00000 0.00000 0.00000 0.11000 0.43000 0.00000 -0.25000 0.00000 0.26000 0.00000 2.38000 66.00000 BUD14_1CKA-14_19.PDB 3.02524 -8.13000 -0.43000 -1.84000 -8.07000 -0.12000 7.52000 -11.88000 0.32000 3.86000 2.80000 0.00000 0.00000 0.00000 0.09000 0.84000 0.00000 -0.29000 0.00000 -0.08000 0.00000 2.38000 66.00000 BUD14_1CKA-14_20.PDB 2.89878 -5.45000 -1.28000 -1.31000 -7.56000 -0.01000 8.13000 -10.97000 0.25000 4.36000 3.27000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -0.43000 0.00000 0.03000 0.00000 2.38000 66.00000 BUD14_1CKA-14_21.PDB 2.75214 -4.83000 -1.28000 -1.30000 -7.24000 0.22000 7.53000 -10.79000 0.93000 4.01000 3.10000 0.00000 0.00000 0.00000 0.06000 0.60000 0.00000 -0.37000 0.00000 0.31000 0.00000 2.38000 66.00000 BUD14_1CKA-14_22.PDB 4.11031 -8.74000 -0.44000 -1.85000 -9.15000 0.02000 7.95000 -13.56000 1.23000 4.31000 2.89000 0.00000 0.00000 0.00000 0.08000 0.55000 0.00000 -0.31000 0.00000 0.11000 0.00000 2.38000 66.00000 BUD14_1CKA-14_23.PDB 3.47201 -7.78000 -1.30000 -1.38000 -8.89000 -0.08000 8.58000 -12.95000 0.51000 4.80000 2.93000 0.00000 0.00000 0.00000 0.08000 0.64000 0.00000 -0.30000 0.00000 0.21000 0.00000 2.38000 66.00000 BUD14_1CKA-14_24.PDB 3.17774 -8.22000 -1.26000 -2.24000 -8.57000 -0.60000 8.68000 -12.62000 0.61000 5.67000 2.74000 0.00000 0.00000 0.00000 0.06000 0.53000 0.00000 -0.31000 0.00000 -0.39000 0.00000 2.38000 66.00000 BUD14_1CKA-14_25.PDB 3.21335 -7.27000 -0.45000 -1.40000 -8.32000 -0.47000 7.06000 -12.67000 1.59000 4.78000 2.83000 0.00000 0.00000 0.00000 0.18000 0.92000 0.00000 -0.19000 0.00000 -0.21000 0.00000 2.38000 66.00000 BUD14_1CKA-14_26.PDB 2.65101 -6.89000 -0.39000 -1.86000 -7.78000 -0.31000 7.96000 -11.36000 0.30000 4.14000 2.93000 0.00000 0.00000 0.00000 0.05000 0.51000 0.00000 -0.35000 0.00000 -0.24000 0.00000 2.38000 66.00000 BUD14_1CKA-14_27.PDB 3.23662 -8.09000 -0.46000 -2.32000 -8.13000 -0.13000 7.60000 -11.28000 0.21000 4.01000 2.73000 0.00000 0.00000 0.00000 0.09000 0.51000 0.00000 -0.34000 0.00000 -0.07000 0.00000 2.38000 66.00000 BUD14_1CKA-14_28.PDB 3.18964 -6.21000 -1.28000 -1.44000 -8.07000 -0.33000 7.63000 -11.66000 1.24000 4.91000 3.29000 0.00000 0.00000 0.00000 0.05000 0.76000 0.00000 -0.33000 0.00000 -0.24000 0.00000 2.38000 66.00000 BUD14_1CKA-14_29.PDB 2.79153 -7.44000 -0.44000 -1.83000 -8.13000 0.09000 7.42000 -12.05000 1.40000 3.46000 2.62000 0.00000 0.00000 0.00000 0.04000 0.88000 0.00000 -0.26000 0.00000 0.25000 0.00000 2.38000 66.00000 BUD14_1CKA-14_30.PDB 2.93958 -7.56000 -0.41000 -0.55000 -7.96000 0.14000 6.69000 -11.91000 0.30000 3.34000 2.79000 0.00000 0.00000 0.00000 0.06000 0.66000 0.00000 -0.30000 0.00000 0.25000 0.00000 2.38000 66.00000