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-28_1.PDB 3.46600 -6.51000 -1.92000 -3.67000 -9.30000 0.12000 9.21000 -12.90000 0.76000 7.75000 4.27000 0.00000 0.00000 0.00000 0.14000 0.99000 0.00000 -0.62000 0.00000 -0.35000 0.00000 2.38000 67.00000 BUD14_1SEM-28_2.PDB 3.07123 -6.62000 -2.20000 -2.24000 -10.18000 0.45000 9.57000 -14.58000 0.69000 7.51000 4.96000 0.00000 0.00000 0.00000 0.09000 1.06000 0.00000 -0.67000 0.00000 -0.02000 0.00000 2.38000 67.00000 BUD14_1SEM-28_3.PDB 3.29165 -6.93000 -2.22000 -2.28000 -10.81000 0.46000 9.87000 -15.21000 0.77000 7.73000 5.46000 0.00000 0.00000 0.00000 0.10000 1.04000 0.00000 -0.78000 0.00000 -0.02000 0.00000 2.38000 67.00000 BUD14_1SEM-28_4.PDB 4.06876 -6.21000 -2.02000 -3.67000 -9.50000 0.56000 9.18000 -13.20000 1.18000 7.37000 4.05000 0.00000 0.00000 0.00000 0.16000 1.04000 0.00000 -0.48000 0.00000 0.15000 0.00000 2.38000 67.00000 BUD14_1SEM-28_5.PDB 3.81138 -6.76000 -2.10000 -2.11000 -10.06000 0.70000 9.04000 -14.49000 0.91000 6.80000 4.66000 0.00000 0.00000 0.00000 0.14000 1.08000 0.00000 -0.43000 0.00000 0.18000 0.00000 2.38000 67.00000 BUD14_1SEM-28_6.PDB 4.11059 -7.96000 -2.05000 -2.09000 -11.04000 0.62000 9.88000 -15.54000 1.12000 7.13000 4.37000 0.00000 0.00000 0.00000 0.09000 1.05000 0.00000 -0.55000 0.00000 0.11000 0.00000 2.38000 67.00000 BUD14_1SEM-28_7.PDB 3.41906 -6.97000 -1.06000 -2.85000 -9.05000 0.43000 8.49000 -13.13000 1.03000 6.65000 2.85000 0.00000 0.00000 0.00000 0.09000 1.07000 0.00000 -0.36000 0.00000 -0.06000 0.00000 2.38000 67.00000 BUD14_1SEM-28_8.PDB 3.65539 -7.45000 -0.99000 -1.00000 -9.56000 0.40000 8.11000 -14.41000 0.99000 6.07000 3.41000 0.00000 0.00000 0.00000 0.12000 1.03000 0.00000 -0.42000 0.00000 -0.17000 0.00000 2.38000 67.00000 BUD14_1SEM-28_9.PDB 3.62950 -7.30000 -2.03000 -3.78000 -9.85000 0.36000 9.56000 -13.52000 0.67000 7.69000 3.93000 0.00000 0.00000 0.00000 0.14000 0.89000 0.00000 -0.30000 0.00000 -0.16000 0.00000 2.38000 67.00000 BUD14_1SEM-28_10.PDB 3.97101 -6.80000 -1.90000 -3.63000 -9.83000 0.52000 9.95000 -13.45000 0.73000 7.28000 3.82000 0.00000 0.00000 0.00000 0.07000 0.90000 0.00000 -0.42000 0.00000 0.08000 0.00000 2.38000 67.00000 BUD14_1SEM-28_11.PDB 3.52464 -6.37000 -1.01000 -1.03000 -9.20000 0.63000 8.28000 -13.49000 0.92000 5.86000 2.86000 0.00000 0.00000 0.00000 0.08000 1.10000 0.00000 -0.46000 0.00000 0.20000 0.00000 2.38000 67.00000 BUD14_1SEM-28_12.PDB 3.55243 -7.96000 -2.08000 -2.11000 -10.41000 0.17000 9.34000 -14.90000 0.71000 7.40000 4.66000 0.00000 0.00000 0.00000 0.21000 0.74000 0.00000 -0.60000 0.00000 -0.35000 0.00000 2.38000 67.00000 BUD14_1SEM-28_13.PDB 3.98976 -6.91000 -1.00000 -2.59000 -9.27000 0.54000 8.31000 -13.47000 1.07000 6.60000 3.16000 0.00000 0.00000 0.00000 0.12000 1.04000 0.00000 -0.37000 0.00000 -0.02000 0.00000 2.38000 67.00000 BUD14_1SEM-28_14.PDB 3.32258 -7.34000 -2.29000 -2.33000 -10.30000 0.33000 9.56000 -14.78000 0.72000 7.58000 4.97000 0.00000 0.00000 0.00000 0.14000 1.05000 0.00000 -0.71000 0.00000 -0.24000 0.00000 2.38000 67.00000 BUD14_1SEM-28_15.PDB 3.46834 -8.27000 -2.22000 -2.27000 -11.03000 0.46000 9.88000 -15.50000 0.63000 7.57000 4.45000 0.00000 0.00000 0.00000 0.23000 0.83000 0.00000 -0.42000 0.00000 -0.06000 0.00000 2.38000 67.00000 BUD14_1SEM-28_16.PDB 4.35357 -7.39000 -0.97000 -0.95000 -9.40000 0.47000 7.79000 -14.28000 1.04000 6.10000 3.20000 0.00000 0.00000 0.00000 0.19000 1.05000 0.00000 -0.42000 0.00000 -0.14000 0.00000 2.38000 67.00000 BUD14_1SEM-28_17.PDB 3.39007 -7.52000 -2.05000 -2.11000 -10.77000 0.63000 9.90000 -15.05000 0.73000 7.03000 4.56000 0.00000 0.00000 0.00000 0.10000 1.03000 0.00000 -0.63000 0.00000 0.12000 0.00000 2.38000 67.00000 BUD14_1SEM-28_18.PDB 2.45069 -5.33000 -1.93000 -3.55000 -9.57000 0.43000 9.71000 -12.80000 1.15000 7.55000 4.25000 0.00000 0.00000 0.00000 0.09000 0.89000 0.00000 -0.64000 0.00000 -0.02000 0.00000 2.38000 67.00000 BUD14_1SEM-28_19.PDB 3.67793 -8.24000 -1.11000 -1.11000 -10.28000 0.74000 8.36000 -15.28000 1.36000 6.22000 2.97000 0.00000 0.00000 0.00000 0.11000 1.11000 0.00000 -0.44000 0.00000 0.24000 0.00000 2.38000 67.00000 BUD14_1SEM-28_20.PDB 4.47640 -7.17000 -2.12000 -3.88000 -10.11000 0.53000 9.65000 -13.97000 1.01000 7.75000 4.25000 0.00000 0.00000 0.00000 0.13000 1.00000 0.00000 -0.51000 0.00000 0.09000 0.00000 2.38000 67.00000 BUD14_1SEM-28_21.PDB 2.48551 -5.82000 -2.05000 -3.83000 -9.27000 0.43000 9.53000 -12.56000 0.74000 7.53000 4.05000 0.00000 0.00000 0.00000 0.15000 0.90000 0.00000 -0.55000 0.00000 0.02000 0.00000 2.38000 67.00000 BUD14_1SEM-28_22.PDB 2.94796 -5.87000 -1.34000 -1.42000 -9.24000 0.84000 8.39000 -13.12000 0.75000 5.36000 3.83000 0.00000 0.00000 0.00000 0.11000 0.67000 0.00000 -0.43000 0.00000 0.39000 0.00000 2.38000 67.00000 BUD14_1SEM-28_23.PDB 3.48933 -6.80000 -2.24000 -2.28000 -10.17000 0.47000 9.47000 -14.59000 0.91000 7.30000 4.90000 0.00000 0.00000 0.00000 0.12000 1.12000 0.00000 -0.68000 0.00000 -0.02000 0.00000 2.38000 67.00000 BUD14_1SEM-28_24.PDB 2.91127 -7.65000 -2.24000 -2.32000 -11.04000 0.45000 10.15000 -15.17000 0.88000 7.73000 4.56000 0.00000 0.00000 0.00000 0.04000 0.78000 0.00000 -0.60000 0.00000 -0.10000 0.00000 2.38000 67.00000 BUD14_1SEM-28_25.PDB 3.84783 -7.37000 -2.19000 -2.16000 -10.45000 0.56000 8.87000 -14.98000 1.47000 7.06000 4.87000 0.00000 0.00000 0.00000 0.16000 1.02000 0.00000 -0.63000 0.00000 0.03000 0.00000 2.38000 67.00000 BUD14_1SEM-28_26.PDB 2.98267 -7.25000 -2.31000 -2.33000 -10.11000 0.33000 9.36000 -14.33000 0.80000 7.34000 4.70000 0.00000 0.00000 0.00000 0.13000 0.90000 0.00000 -0.59000 0.00000 -0.23000 0.00000 2.38000 67.00000 BUD14_1SEM-28_27.PDB 2.82747 -5.84000 -2.07000 -3.88000 -9.46000 0.53000 9.59000 -12.69000 0.69000 7.65000 4.16000 0.00000 0.00000 0.00000 0.06000 0.78000 0.00000 -0.45000 0.00000 0.03000 0.00000 2.38000 67.00000 BUD14_1SEM-28_28.PDB 3.18389 -5.65000 -2.24000 -3.98000 -9.04000 0.68000 9.48000 -12.16000 0.55000 7.29000 4.10000 0.00000 0.00000 0.00000 0.06000 1.08000 0.00000 -0.57000 0.00000 0.18000 0.00000 2.38000 67.00000 BUD14_1SEM-28_29.PDB 3.81191 -5.99000 -2.33000 -4.02000 -9.54000 0.59000 9.51000 -13.09000 1.17000 7.63000 4.11000 0.00000 0.00000 0.00000 0.22000 1.04000 0.00000 -0.43000 0.00000 0.18000 0.00000 2.38000 67.00000 BUD14_1SEM-28_30.PDB 3.02595 -7.13000 -2.23000 -2.29000 -10.61000 0.31000 9.77000 -14.79000 0.51000 7.75000 5.29000 0.00000 0.00000 0.00000 0.19000 0.98000 0.00000 -0.78000 0.00000 -0.24000 0.00000 2.38000 67.00000