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-11_1.PDB 4.96387 -7.53000 -0.93000 -5.24000 -6.83000 -1.20000 7.04000 -8.06000 0.38000 6.04000 2.78000 0.00000 0.00000 0.00000 0.25000 0.70000 0.00000 -0.43000 0.00000 -1.32000 0.00000 2.38000 64.00000 BUD14_1CKB-11_2.PDB 4.48346 -5.37000 -1.84000 -3.44000 -6.68000 -2.10000 7.74000 -7.98000 1.53000 5.90000 2.41000 0.00000 0.00000 0.00000 0.29000 0.82000 0.00000 -0.33000 0.00000 -0.89000 0.00000 2.38000 64.00000 BUD14_1CKB-11_3.PDB 4.63148 -5.74000 -0.96000 -4.83000 -6.62000 -0.83000 7.37000 -8.37000 0.40000 6.43000 2.51000 0.00000 0.00000 0.00000 0.17000 0.80000 0.00000 -0.19000 0.00000 -0.83000 0.00000 2.38000 64.00000 BUD14_1CKB-11_4.PDB 4.08428 -6.56000 -0.97000 -2.50000 -6.55000 -0.96000 6.12000 -7.94000 0.16000 4.64000 2.21000 0.00000 0.00000 0.00000 0.37000 0.87000 0.00000 -0.15000 0.00000 -0.98000 0.00000 2.38000 64.00000 BUD14_1CKB-11_5.PDB 4.16738 -5.84000 -0.95000 -2.47000 -6.37000 -0.63000 5.60000 -8.41000 0.33000 5.48000 2.38000 0.00000 0.00000 0.00000 0.26000 0.92000 0.00000 -0.29000 0.00000 -0.75000 0.00000 2.38000 64.00000 BUD14_1CKB-11_6.PDB 6.57793 -3.91000 -1.81000 -3.51000 -6.44000 -0.85000 7.31000 -7.71000 2.07000 5.41000 2.27000 0.00000 0.00000 0.00000 0.37000 0.88000 0.00000 -0.40000 0.00000 -0.63000 0.00000 2.38000 64.00000 BUD14_1CKB-11_7.PDB 4.47791 -7.74000 -2.77000 -6.02000 -7.46000 -1.26000 9.14000 -8.82000 1.70000 6.14000 2.77000 0.00000 0.00000 0.00000 0.36000 0.94000 0.00000 -0.55000 0.00000 -0.96000 0.00000 2.38000 64.00000 BUD14_1CKB-11_8.PDB 3.83076 -5.14000 -0.97000 -3.35000 -6.52000 -0.65000 6.80000 -8.42000 0.48000 5.67000 2.31000 0.00000 0.00000 0.00000 0.31000 1.06000 0.00000 -0.21000 0.00000 -0.58000 0.00000 2.38000 64.00000 BUD14_1CKB-11_9.PDB 4.15838 -5.97000 -0.09000 -2.36000 -5.78000 -1.31000 5.43000 -7.20000 0.17000 3.79000 2.58000 0.00000 0.00000 0.00000 0.28000 0.70000 0.00000 -0.14000 0.00000 -1.34000 0.00000 2.38000 64.00000 BUD14_1CKB-11_10.PDB 3.71923 -8.61000 -2.45000 -4.05000 -7.15000 -1.13000 7.86000 -8.77000 0.22000 5.56000 2.52000 0.00000 0.00000 0.00000 0.28000 0.77000 0.00000 -0.22000 0.00000 -1.27000 0.00000 2.38000 64.00000 BUD14_1CKB-11_11.PDB 4.98116 -8.12000 -0.95000 -5.68000 -6.64000 -1.33000 7.44000 -7.84000 0.31000 5.46000 2.48000 0.00000 0.00000 0.00000 0.24000 0.70000 0.00000 -0.30000 0.00000 -1.30000 0.00000 2.38000 64.00000 BUD14_1CKB-11_12.PDB 4.24676 -7.49000 -0.96000 -1.85000 -6.96000 -1.33000 6.78000 -8.31000 0.44000 4.38000 2.25000 0.00000 0.00000 0.00000 0.24000 0.84000 0.00000 -0.75000 0.00000 -1.42000 0.00000 2.38000 64.00000 BUD14_1CKB-11_13.PDB 3.82195 -5.51000 -0.95000 -2.45000 -6.33000 -0.51000 5.44000 -8.41000 0.43000 5.46000 2.27000 0.00000 0.00000 0.00000 0.29000 0.91000 0.00000 -0.25000 0.00000 -0.51000 0.00000 2.38000 64.00000 BUD14_1CKB-11_14.PDB 4.19846 -6.26000 -0.97000 -3.30000 -6.40000 -0.85000 6.25000 -8.55000 0.54000 5.67000 2.22000 0.00000 0.00000 0.00000 0.29000 0.90000 0.00000 -0.33000 0.00000 -0.83000 0.00000 2.38000 64.00000 BUD14_1CKB-11_15.PDB 4.43101 -7.75000 -0.93000 -4.19000 -6.58000 -1.32000 6.60000 -7.97000 0.41000 4.94000 2.82000 0.00000 0.00000 0.00000 0.16000 0.68000 0.00000 -0.34000 0.00000 -1.35000 0.00000 2.38000 64.00000 BUD14_1CKB-11_16.PDB 4.37200 -6.67000 -1.85000 -4.39000 -7.19000 -2.22000 8.45000 -8.53000 1.47000 6.64000 2.53000 0.00000 0.00000 0.00000 0.31000 0.80000 0.00000 -0.84000 0.00000 -1.05000 0.00000 2.38000 64.00000 BUD14_1CKB-11_17.PDB 3.61618 -5.82000 -0.12000 -4.19000 -5.39000 -0.66000 4.75000 -7.29000 0.61000 5.31000 2.17000 0.00000 0.00000 0.00000 0.00000 0.62000 0.00000 -0.20000 0.00000 -0.81000 0.00000 2.38000 64.00000 BUD14_1CKB-11_18.PDB 4.15784 -5.55000 -0.97000 -3.39000 -6.51000 -0.80000 6.80000 -8.41000 0.38000 5.89000 2.40000 0.00000 0.00000 0.00000 0.23000 1.03000 0.00000 -0.33000 0.00000 -0.84000 0.00000 2.38000 64.00000 BUD14_1CKB-11_19.PDB 4.05611 -7.26000 -0.09000 -4.33000 -6.32000 -1.30000 6.30000 -7.90000 0.25000 4.83000 2.20000 0.00000 0.00000 0.00000 0.36000 0.71000 0.00000 -0.17000 0.00000 -1.11000 0.00000 2.38000 64.00000 BUD14_1CKB-11_20.PDB 3.99899 -6.42000 -0.94000 -3.39000 -6.51000 -0.86000 6.33000 -8.72000 0.52000 5.70000 2.21000 0.00000 0.00000 0.00000 0.29000 0.88000 0.00000 -0.23000 0.00000 -0.82000 0.00000 2.38000 64.00000 BUD14_1CKB-11_21.PDB 4.21376 -7.07000 -0.93000 -1.78000 -7.10000 -1.02000 6.59000 -9.15000 0.30000 5.31000 2.54000 0.00000 0.00000 0.00000 0.24000 0.96000 0.00000 -0.99000 0.00000 -1.06000 0.00000 2.38000 64.00000 BUD14_1CKB-11_22.PDB 4.56174 -7.02000 -0.94000 -4.94000 -6.66000 -0.94000 7.08000 -8.66000 0.79000 5.64000 2.43000 0.00000 0.00000 0.00000 0.17000 0.78000 0.00000 -0.15000 0.00000 -0.85000 0.00000 2.38000 64.00000 BUD14_1CKB-11_23.PDB 4.28682 -6.75000 -0.91000 -4.09000 -6.43000 -1.00000 6.29000 -7.82000 0.45000 5.33000 2.39000 0.00000 0.00000 0.00000 0.19000 0.61000 0.00000 -0.15000 0.00000 -1.00000 0.00000 2.38000 64.00000 BUD14_1CKB-11_24.PDB 4.09602 -5.79000 -0.09000 -2.46000 -6.04000 -1.09000 5.58000 -7.47000 0.11000 3.98000 2.43000 0.00000 0.00000 0.00000 0.40000 0.80000 0.00000 -0.12000 0.00000 -1.02000 0.00000 2.38000 64.00000 BUD14_1CKB-11_25.PDB 4.78036 -6.36000 -1.86000 -4.72000 -6.53000 -2.09000 7.55000 -8.02000 1.55000 5.94000 2.62000 0.00000 0.00000 0.00000 0.33000 0.70000 0.00000 -0.41000 0.00000 -0.72000 0.00000 2.38000 64.00000 BUD14_1CKB-11_26.PDB 4.04354 -7.70000 -0.95000 -4.33000 -6.76000 -1.11000 6.65000 -8.30000 0.15000 5.64000 2.26000 0.00000 0.00000 0.00000 0.36000 0.83000 0.00000 -0.26000 0.00000 -1.04000 0.00000 2.38000 64.00000 BUD14_1CKB-11_27.PDB 4.19017 -7.47000 -0.97000 -1.72000 -6.95000 -1.23000 6.55000 -8.40000 0.18000 4.07000 2.51000 0.00000 0.00000 0.00000 0.37000 0.90000 0.00000 -0.69000 0.00000 -1.17000 0.00000 2.38000 64.00000 BUD14_1CKB-11_28.PDB 3.70781 -6.21000 -0.97000 -2.46000 -5.61000 -0.55000 4.89000 -7.43000 0.11000 4.66000 2.02000 0.00000 0.00000 0.00000 0.01000 0.70000 0.00000 -0.18000 0.00000 -0.70000 0.00000 2.38000 64.00000 BUD14_1CKB-11_29.PDB 3.52517 -6.70000 -0.94000 -2.69000 -7.06000 -0.89000 7.22000 -9.20000 0.42000 5.48000 2.50000 0.00000 0.00000 0.00000 0.25000 0.95000 0.00000 -0.81000 0.00000 -0.97000 0.00000 2.38000 64.00000 BUD14_1CKB-11_30.PDB 4.16105 -6.83000 -0.94000 -6.01000 -6.66000 -0.83000 7.04000 -8.52000 0.56000 6.42000 3.20000 0.00000 0.00000 0.00000 0.17000 0.78000 0.00000 -0.46000 0.00000 -0.80000 0.00000 2.38000 64.00000