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-18_1.PDB 3.64434 -4.67000 -2.59000 -3.49000 -9.41000 -0.88000 9.17000 -12.59000 3.65000 6.32000 5.75000 0.00000 0.00000 0.00000 0.22000 0.84000 0.00000 -0.46000 0.00000 -0.37000 0.00000 2.38000 67.00000 BUD14_1SEM-18_2.PDB 4.66858 -4.72000 -3.30000 -3.42000 -9.79000 -1.30000 10.38000 -12.75000 3.83000 7.20000 5.72000 0.00000 0.00000 0.00000 0.08000 0.83000 0.00000 -0.67000 0.00000 -0.70000 0.00000 2.38000 67.00000 BUD14_1SEM-18_3.PDB 2.62409 -3.57000 -2.11000 -2.58000 -8.84000 -1.20000 9.49000 -11.38000 3.55000 5.34000 5.05000 0.00000 0.00000 0.00000 0.12000 0.69000 0.00000 -0.53000 0.00000 -0.47000 0.00000 2.38000 67.00000 BUD14_1SEM-18_4.PDB 3.51119 -4.63000 -2.65000 -3.41000 -8.86000 -1.30000 9.67000 -11.35000 3.60000 6.05000 4.87000 0.00000 0.00000 0.00000 0.10000 0.62000 0.00000 -0.85000 0.00000 -0.50000 0.00000 2.38000 67.00000 BUD14_1SEM-18_5.PDB 4.34985 -4.75000 -2.50000 -3.32000 -9.92000 -1.40000 10.04000 -12.97000 3.72000 6.75000 5.61000 0.00000 0.00000 0.00000 0.20000 0.84000 0.00000 -0.39000 0.00000 -0.57000 0.00000 2.38000 67.00000 BUD14_1SEM-18_6.PDB 3.61423 -4.19000 -1.72000 -2.56000 -9.24000 -0.93000 8.53000 -12.54000 3.48000 5.79000 5.62000 0.00000 0.00000 0.00000 0.17000 0.84000 0.00000 -0.35000 0.00000 -0.43000 0.00000 2.38000 67.00000 BUD14_1SEM-18_7.PDB 3.09622 -3.71000 -2.14000 -2.53000 -8.76000 -1.11000 9.16000 -11.36000 3.54000 5.25000 5.08000 0.00000 0.00000 0.00000 0.09000 0.76000 0.00000 -0.50000 0.00000 -0.45000 0.00000 2.38000 67.00000 BUD14_1SEM-18_8.PDB 5.00164 -4.67000 -3.38000 -5.20000 -9.46000 -1.45000 11.45000 -11.64000 3.66000 7.16000 5.32000 0.00000 0.00000 0.00000 0.12000 0.77000 0.00000 -0.67000 0.00000 -0.59000 0.00000 2.38000 67.00000 BUD14_1SEM-18_9.PDB 3.29268 -4.56000 -3.97000 -4.93000 -9.80000 -1.30000 12.22000 -12.20000 4.66000 6.67000 5.03000 0.00000 0.00000 0.00000 0.14000 0.83000 0.00000 -0.54000 0.00000 -0.56000 0.00000 2.38000 67.00000 BUD14_1SEM-18_10.PDB 4.34695 -4.65000 -2.61000 -3.49000 -9.22000 -1.61000 10.31000 -11.77000 3.52000 6.20000 5.08000 0.00000 0.00000 0.00000 0.12000 0.66000 0.00000 -0.46000 0.00000 -0.71000 0.00000 2.38000 67.00000 BUD14_1SEM-18_11.PDB 4.21518 -3.74000 -0.88000 -1.69000 -8.00000 -1.37000 8.12000 -10.77000 3.47000 4.27000 4.61000 0.00000 0.00000 0.00000 0.14000 0.70000 0.00000 -0.54000 0.00000 -1.10000 0.00000 2.38000 67.00000 BUD14_1SEM-18_12.PDB 5.57114 -5.28000 -3.50000 -4.33000 -9.42000 -1.90000 11.02000 -11.42000 3.52000 7.39000 5.49000 0.00000 0.00000 0.00000 0.10000 0.85000 0.00000 -0.91000 0.00000 -1.32000 0.00000 2.38000 67.00000 BUD14_1SEM-18_13.PDB 3.98856 -4.14000 -2.13000 -2.65000 -9.25000 -1.32000 9.26000 -12.08000 3.55000 6.25000 5.63000 0.00000 0.00000 0.00000 0.21000 0.82000 0.00000 -0.45000 0.00000 -1.15000 0.00000 2.38000 67.00000 BUD14_1SEM-18_14.PDB 5.03659 -4.25000 -2.58000 -3.49000 -8.58000 -1.56000 9.66000 -10.96000 3.62000 6.37000 5.10000 0.00000 0.00000 0.00000 0.08000 0.72000 0.00000 -0.65000 0.00000 -1.27000 0.00000 2.38000 67.00000 BUD14_1SEM-18_15.PDB 4.00210 -3.51000 -2.12000 -3.13000 -8.17000 -1.05000 8.76000 -10.49000 3.37000 5.51000 5.04000 0.00000 0.00000 0.00000 0.10000 0.69000 0.00000 -0.39000 0.00000 -0.93000 0.00000 2.38000 67.00000 BUD14_1SEM-18_16.PDB 4.85237 -5.62000 -3.46000 -4.41000 -9.31000 -1.04000 10.40000 -11.76000 2.75000 6.71000 5.61000 0.00000 0.00000 0.00000 0.11000 0.75000 0.00000 -0.66000 0.00000 -0.55000 0.00000 2.38000 67.00000 BUD14_1SEM-18_17.PDB 4.35664 -5.18000 -3.46000 -4.31000 -9.71000 -1.39000 10.64000 -12.53000 3.66000 7.48000 5.59000 0.00000 0.00000 0.00000 0.15000 0.76000 0.00000 -0.71000 0.00000 -0.59000 0.00000 2.38000 67.00000 BUD14_1SEM-18_18.PDB 4.91542 -5.60000 -3.37000 -4.21000 -9.32000 -1.90000 10.54000 -11.93000 3.72000 7.55000 5.49000 0.00000 0.00000 0.00000 0.11000 0.81000 0.00000 -0.74000 0.00000 -1.53000 0.00000 2.38000 67.00000 BUD14_1SEM-18_19.PDB 4.61733 -4.51000 -3.46000 -4.37000 -9.01000 -1.27000 10.27000 -11.19000 3.44000 7.06000 5.57000 0.00000 0.00000 0.00000 0.11000 0.87000 0.00000 -0.56000 0.00000 -1.09000 0.00000 2.38000 67.00000 BUD14_1SEM-18_20.PDB 3.58205 -4.21000 -2.63000 -3.07000 -7.87000 -0.95000 8.97000 -9.85000 2.79000 4.45000 5.23000 0.00000 0.00000 0.00000 0.16000 0.63000 0.00000 -0.87000 0.00000 -0.57000 0.00000 2.38000 67.00000 BUD14_1SEM-18_21.PDB 4.35340 -4.80000 -3.45000 -3.70000 -8.58000 -1.15000 10.19000 -10.54000 2.65000 5.70000 5.30000 0.00000 0.00000 0.00000 0.23000 0.62000 0.00000 -0.72000 0.00000 -0.74000 0.00000 2.38000 67.00000 BUD14_1SEM-18_22.PDB 3.53261 -3.99000 -3.35000 -5.52000 -9.30000 -1.48000 12.15000 -11.25000 3.60000 7.07000 5.07000 0.00000 0.00000 0.00000 0.17000 0.74000 0.00000 -0.53000 0.00000 -0.61000 0.00000 2.38000 67.00000 BUD14_1SEM-18_23.PDB 4.93219 -3.99000 -3.14000 -4.06000 -8.94000 -1.53000 10.96000 -10.92000 3.61000 6.35000 5.07000 0.00000 0.00000 0.00000 0.20000 0.67000 0.00000 -0.40000 0.00000 -1.19000 0.00000 2.38000 67.00000 BUD14_1SEM-18_24.PDB 4.02472 -3.67000 -2.13000 -2.62000 -9.47000 -1.14000 9.30000 -12.53000 3.86000 6.22000 5.63000 0.00000 0.00000 0.00000 0.17000 0.83000 0.00000 -0.38000 0.00000 -0.57000 0.00000 2.38000 67.00000 BUD14_1SEM-18_25.PDB 4.66176 -4.97000 -3.58000 -4.06000 -9.28000 -1.56000 11.21000 -11.28000 3.48000 6.33000 5.22000 0.00000 0.00000 0.00000 0.22000 0.78000 0.00000 -0.44000 0.00000 -1.23000 0.00000 2.38000 67.00000 BUD14_1SEM-18_26.PDB 4.44892 -3.51000 -2.55000 -2.96000 -8.16000 -0.93000 9.29000 -10.16000 2.64000 5.34000 5.15000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -0.69000 0.00000 -0.55000 0.00000 2.38000 67.00000 BUD14_1SEM-18_27.PDB 3.67735 -4.50000 -2.56000 -3.33000 -8.65000 -1.41000 9.56000 -11.13000 3.56000 5.73000 4.92000 0.00000 0.00000 0.00000 0.16000 0.68000 0.00000 -0.76000 0.00000 -0.57000 0.00000 2.38000 67.00000 BUD14_1SEM-18_28.PDB 4.91981 -5.45000 -3.01000 -3.84000 -8.96000 -0.96000 9.46000 -11.52000 2.71000 6.25000 5.77000 0.00000 0.00000 0.00000 0.08000 0.80000 0.00000 -0.91000 0.00000 -0.55000 0.00000 2.38000 67.00000 BUD14_1SEM-18_29.PDB 2.93888 -3.26000 -1.70000 -2.56000 -8.49000 -1.06000 8.66000 -11.23000 3.67000 5.04000 5.07000 0.00000 0.00000 0.00000 0.19000 0.80000 0.00000 -0.40000 0.00000 -0.45000 0.00000 2.38000 67.00000 BUD14_1SEM-18_30.PDB 3.96640 -4.99000 -2.59000 -3.44000 -9.52000 -1.22000 9.71000 -12.75000 3.54000 6.35000 6.01000 0.00000 0.00000 0.00000 0.14000 0.81000 0.00000 -0.69000 0.00000 -0.52000 0.00000 2.38000 67.00000