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_1SEM-9_1.PDB 2.92823 -8.02000 -0.54000 -0.43000 -8.36000 -0.16000 6.94000 -12.11000 0.04000 4.39000 2.89000 0.00000 0.00000 0.00000 0.13000 0.56000 0.00000 -0.69000 0.00000 -0.13000 0.00000 2.38000 65.00000 BUD14_1SEM-9_2.PDB 3.37534 -8.37000 -0.56000 -0.45000 -8.71000 -0.24000 6.86000 -12.79000 0.10000 4.49000 3.42000 0.00000 0.00000 0.00000 0.33000 0.35000 0.00000 -0.62000 0.00000 -0.20000 0.00000 2.38000 65.00000 BUD14_1SEM-9_3.PDB 2.87000 -7.36000 -0.38000 -0.28000 -8.40000 -0.22000 6.97000 -12.13000 0.16000 4.30000 3.31000 0.00000 0.00000 0.00000 0.15000 0.57000 0.00000 -0.63000 0.00000 -0.19000 0.00000 2.38000 65.00000 BUD14_1SEM-9_4.PDB 4.20343 -8.03000 -0.61000 -0.49000 -8.71000 -0.25000 6.89000 -12.68000 0.06000 4.45000 3.49000 0.00000 0.00000 0.00000 0.68000 0.47000 0.00000 -0.65000 0.00000 -0.21000 0.00000 2.38000 65.00000 BUD14_1SEM-9_5.PDB 3.96954 -9.00000 -1.35000 -1.19000 -10.02000 -0.26000 8.57000 -13.70000 0.22000 6.62000 3.14000 0.00000 0.00000 0.00000 0.10000 0.80000 0.00000 -0.73000 0.00000 -0.40000 0.00000 2.38000 65.00000 BUD14_1SEM-9_6.PDB 3.46243 -7.92000 -0.64000 -2.08000 -7.80000 -0.18000 6.85000 -11.19000 0.05000 4.63000 2.78000 0.00000 0.00000 0.00000 0.35000 0.51000 0.00000 -0.56000 0.00000 -0.13000 0.00000 2.38000 65.00000 BUD14_1SEM-9_7.PDB 4.52777 -9.42000 -1.16000 -1.05000 -9.68000 -0.25000 7.68000 -13.69000 0.28000 6.25000 3.18000 0.00000 0.00000 0.00000 0.10000 0.61000 0.00000 -0.72000 0.00000 -0.37000 0.00000 2.38000 65.00000 BUD14_1SEM-9_8.PDB 3.56419 -9.24000 -0.55000 -1.95000 -8.96000 -0.13000 7.19000 -13.07000 0.05000 5.09000 3.53000 0.00000 0.00000 0.00000 0.16000 0.55000 0.00000 -0.45000 0.00000 -0.14000 0.00000 2.38000 65.00000 BUD14_1SEM-9_9.PDB 3.61575 -8.90000 -1.24000 -1.13000 -9.02000 -0.32000 7.41000 -12.58000 0.09000 6.03000 2.90000 0.00000 0.00000 0.00000 0.13000 0.63000 0.00000 -0.77000 0.00000 -0.41000 0.00000 2.38000 65.00000 BUD14_1SEM-9_10.PDB 2.83484 -7.51000 -0.30000 -0.19000 -8.53000 -0.09000 6.98000 -12.39000 0.13000 4.33000 2.72000 0.00000 0.00000 0.00000 0.11000 0.76000 0.00000 -0.18000 0.00000 -0.10000 0.00000 2.38000 65.00000 BUD14_1SEM-9_11.PDB 4.32106 -9.41000 -1.19000 -1.06000 -9.72000 -0.28000 7.71000 -13.69000 0.07000 6.22000 3.10000 0.00000 0.00000 0.00000 0.16000 0.68000 0.00000 -0.37000 0.00000 -0.37000 0.00000 2.38000 65.00000 BUD14_1SEM-9_12.PDB 2.90324 -7.86000 -0.38000 -1.83000 -8.22000 -0.25000 7.13000 -11.79000 0.12000 4.71000 3.17000 0.00000 0.00000 0.00000 0.14000 0.53000 0.00000 -0.43000 0.00000 -0.24000 0.00000 2.38000 65.00000 BUD14_1SEM-9_13.PDB 3.54948 -8.80000 -0.67000 -1.94000 -8.51000 -0.18000 6.80000 -12.37000 0.07000 4.95000 3.47000 0.00000 0.00000 0.00000 0.18000 0.52000 0.00000 -0.41000 0.00000 -0.19000 0.00000 2.38000 65.00000 BUD14_1SEM-9_14.PDB 3.55659 -8.47000 -0.38000 -0.27000 -8.91000 -0.13000 6.50000 -13.31000 0.21000 4.33000 3.93000 0.00000 0.00000 0.00000 0.11000 0.48000 0.00000 -0.40000 0.00000 -0.15000 0.00000 2.38000 65.00000 BUD14_1SEM-9_15.PDB 2.59893 -7.88000 -0.55000 -0.41000 -8.44000 0.01000 7.14000 -11.69000 0.08000 3.87000 3.02000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -0.88000 0.00000 -0.08000 0.00000 2.38000 65.00000 BUD14_1SEM-9_16.PDB 3.76339 -9.22000 -1.80000 -3.20000 -9.13000 -0.31000 8.13000 -12.46000 0.11000 7.25000 3.22000 0.00000 0.00000 0.00000 0.12000 0.68000 0.00000 -0.77000 0.00000 -0.39000 0.00000 2.38000 65.00000 BUD14_1SEM-9_17.PDB 2.75619 -7.91000 -0.27000 -0.16000 -7.69000 -0.14000 5.90000 -11.40000 0.12000 3.94000 2.28000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -0.46000 0.00000 -0.12000 0.00000 2.38000 65.00000 BUD14_1SEM-9_18.PDB 3.29941 -8.71000 -0.55000 -0.43000 -8.52000 -0.07000 6.66000 -12.27000 0.09000 3.82000 3.32000 0.00000 0.00000 0.00000 0.03000 0.41000 0.00000 -0.65000 0.00000 -0.14000 0.00000 2.38000 65.00000 BUD14_1SEM-9_19.PDB 4.12355 -9.39000 -0.97000 -2.35000 -9.44000 -0.11000 7.68000 -13.34000 0.09000 6.35000 3.14000 0.00000 0.00000 0.00000 0.09000 0.53000 0.00000 -0.23000 0.00000 -0.29000 0.00000 2.38000 65.00000 BUD14_1SEM-9_20.PDB 2.94328 -8.14000 -0.28000 -1.89000 -8.40000 -0.19000 7.48000 -11.81000 0.06000 4.70000 2.69000 0.00000 0.00000 0.00000 0.11000 0.51000 0.00000 -0.44000 0.00000 -0.18000 0.00000 2.38000 65.00000 BUD14_1SEM-9_21.PDB 3.05212 -8.89000 -0.41000 -0.31000 -9.01000 -0.21000 6.76000 -13.37000 0.14000 4.53000 3.39000 0.00000 0.00000 0.00000 0.31000 0.67000 0.00000 -0.47000 0.00000 -0.22000 0.00000 2.38000 65.00000 BUD14_1SEM-9_22.PDB 3.85504 -8.70000 -1.29000 -1.19000 -8.47000 -0.23000 6.84000 -12.13000 0.13000 5.83000 2.58000 0.00000 0.00000 0.00000 0.12000 0.67000 0.00000 -0.53000 0.00000 -0.35000 0.00000 2.38000 65.00000 BUD14_1SEM-9_23.PDB 4.17761 -9.02000 -1.53000 -2.94000 -8.86000 -0.35000 7.76000 -12.14000 0.08000 6.75000 3.17000 0.00000 0.00000 0.00000 0.60000 0.60000 0.00000 -1.15000 0.00000 -0.40000 0.00000 2.38000 65.00000 BUD14_1SEM-9_24.PDB 2.55549 -7.11000 -0.58000 -0.47000 -7.76000 -0.16000 6.59000 -10.83000 0.14000 3.74000 3.06000 0.00000 0.00000 0.00000 0.04000 0.38000 0.00000 -0.70000 0.00000 -0.17000 0.00000 2.38000 65.00000 BUD14_1SEM-9_25.PDB 4.03939 -8.92000 -0.26000 -0.15000 -8.96000 -0.19000 7.04000 -13.09000 0.16000 4.42000 2.56000 0.00000 0.00000 0.00000 0.23000 0.64000 0.00000 -0.51000 0.00000 -0.17000 0.00000 2.38000 65.00000 BUD14_1SEM-9_26.PDB 4.61455 -9.97000 -1.25000 -1.14000 -9.27000 -0.38000 7.18000 -13.25000 0.21000 6.06000 3.03000 0.00000 0.00000 0.00000 0.11000 0.48000 0.00000 -0.81000 0.00000 -0.46000 0.00000 2.38000 65.00000 BUD14_1SEM-9_27.PDB 3.71088 -9.20000 -0.64000 -2.28000 -8.86000 -0.14000 7.45000 -12.65000 0.16000 5.05000 3.55000 0.00000 0.00000 0.00000 0.21000 0.57000 0.00000 -0.89000 0.00000 -0.16000 0.00000 2.38000 65.00000 BUD14_1SEM-9_28.PDB 4.25004 -10.01000 -1.30000 -2.69000 -9.37000 -0.36000 7.83000 -13.09000 0.11000 6.68000 3.10000 0.00000 0.00000 0.00000 0.12000 0.59000 0.00000 -0.58000 0.00000 -0.45000 0.00000 2.38000 65.00000 BUD14_1SEM-9_29.PDB 3.22840 -8.33000 -0.66000 -0.56000 -7.88000 -0.10000 6.11000 -11.34000 0.06000 3.71000 3.10000 0.00000 0.00000 0.00000 0.03000 0.38000 0.00000 -0.68000 0.00000 -0.14000 0.00000 2.38000 65.00000 BUD14_1SEM-9_30.PDB 2.89929 -7.86000 -0.29000 -1.72000 -7.82000 -0.16000 6.72000 -11.27000 0.20000 4.42000 2.42000 0.00000 0.00000 0.00000 0.10000 0.54000 0.00000 -0.34000 0.00000 -0.13000 0.00000 2.38000 65.00000