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-21_1.PDB 3.17843 -6.71000 -0.53000 -0.53000 -5.25000 -0.11000 3.37000 -7.78000 0.56000 2.09000 1.33000 0.00000 0.00000 0.00000 0.25000 0.14000 0.00000 -0.13000 0.00000 0.02000 0.00000 2.38000 67.00000 BUD14_1SEM-21_2.PDB 3.31884 -6.38000 -0.50000 -0.47000 -5.07000 -0.19000 3.33000 -7.53000 0.72000 1.93000 1.37000 0.00000 0.00000 0.00000 0.23000 0.22000 0.00000 -0.10000 0.00000 -0.10000 0.00000 2.38000 67.00000 BUD14_1SEM-21_3.PDB 2.67848 -6.42000 -0.49000 -0.50000 -5.15000 -0.08000 3.32000 -7.65000 0.36000 2.14000 1.48000 0.00000 0.00000 0.00000 0.22000 0.08000 0.00000 -0.13000 0.00000 0.07000 0.00000 2.38000 67.00000 BUD14_1SEM-21_4.PDB 2.66759 -6.06000 -0.57000 -0.54000 -4.84000 -0.10000 3.19000 -7.22000 0.44000 1.98000 1.42000 0.00000 0.00000 0.00000 0.21000 0.20000 0.00000 -0.08000 0.00000 0.05000 0.00000 2.38000 67.00000 BUD14_1SEM-21_5.PDB 2.70326 -6.36000 -0.59000 -0.56000 -5.22000 -0.02000 3.43000 -7.72000 0.40000 2.17000 1.41000 0.00000 0.00000 0.00000 0.21000 0.29000 0.00000 -0.03000 0.00000 0.16000 0.00000 2.38000 67.00000 BUD14_1SEM-21_6.PDB 2.43560 -5.62000 -0.56000 -0.51000 -4.72000 -0.01000 3.13000 -6.96000 0.49000 1.89000 1.31000 0.00000 0.00000 0.00000 0.21000 0.33000 0.00000 -0.08000 0.00000 0.18000 0.00000 2.38000 67.00000 BUD14_1SEM-21_7.PDB 3.80943 -4.19000 -0.59000 -0.47000 -4.53000 -0.14000 3.80000 -6.34000 0.44000 1.75000 1.66000 0.00000 0.00000 0.00000 0.35000 0.35000 0.00000 -0.06000 0.00000 -0.06000 0.00000 2.38000 67.00000 BUD14_1SEM-21_8.PDB 3.40442 -3.79000 -0.58000 -0.46000 -4.13000 -0.12000 3.55000 -5.79000 0.46000 1.51000 1.65000 0.00000 0.00000 0.00000 0.29000 0.35000 0.00000 -0.09000 0.00000 -0.05000 0.00000 2.38000 67.00000 BUD14_1SEM-21_9.PDB 3.42726 -4.13000 -0.55000 -0.48000 -4.56000 -0.06000 3.72000 -6.46000 0.40000 1.80000 1.75000 0.00000 0.00000 0.00000 0.32000 0.24000 0.00000 -0.06000 0.00000 0.05000 0.00000 2.38000 67.00000 BUD14_1SEM-21_10.PDB 3.26510 -3.91000 -0.57000 -0.46000 -4.55000 0.02000 3.71000 -6.43000 0.44000 1.76000 1.73000 0.00000 0.00000 0.00000 0.32000 0.34000 0.00000 -0.06000 0.00000 0.17000 0.00000 2.38000 67.00000 BUD14_1SEM-21_11.PDB 3.23815 -3.46000 -0.61000 -0.53000 -4.16000 -0.06000 3.57000 -5.80000 0.46000 1.59000 1.77000 0.00000 0.00000 0.00000 0.32000 0.43000 0.00000 -0.07000 0.00000 0.06000 0.00000 2.38000 67.00000 BUD14_1SEM-21_12.PDB 3.05777 -3.12000 -0.58000 -0.52000 -4.08000 0.01000 3.51000 -5.71000 0.45000 1.65000 1.73000 0.00000 0.00000 0.00000 0.29000 0.41000 0.00000 -0.06000 0.00000 0.17000 0.00000 2.38000 67.00000 BUD14_1SEM-21_13.PDB 3.39566 -8.11000 -0.57000 -0.52000 -6.26000 -0.13000 3.73000 -9.66000 0.48000 2.87000 1.68000 0.00000 0.00000 0.00000 0.28000 0.27000 0.00000 -0.02000 0.00000 0.01000 0.00000 2.38000 67.00000 BUD14_1SEM-21_14.PDB 2.09257 -8.22000 -0.60000 -0.52000 -5.86000 -0.13000 3.37000 -9.10000 0.52000 2.46000 1.48000 0.00000 0.00000 0.00000 0.27000 0.30000 0.00000 -0.09000 0.00000 -0.00000 0.00000 2.38000 67.00000 BUD14_1SEM-21_15.PDB 3.15223 -6.28000 -0.58000 -0.59000 -5.16000 -0.63000 4.05000 -7.17000 0.44000 2.25000 1.61000 0.00000 0.00000 0.00000 0.19000 0.28000 0.00000 -0.17000 0.00000 -0.50000 0.00000 2.38000 67.00000 BUD14_1SEM-21_16.PDB 3.34352 -6.41000 -0.52000 -0.54000 -5.23000 -0.20000 3.44000 -7.74000 0.39000 2.40000 1.56000 0.00000 0.00000 0.00000 0.24000 0.19000 0.00000 -0.12000 0.00000 -0.08000 0.00000 2.38000 67.00000 BUD14_1SEM-21_17.PDB 3.74805 -5.42000 -0.56000 -0.49000 -4.80000 -0.15000 3.51000 -6.98000 1.00000 1.95000 1.15000 0.00000 0.00000 0.00000 0.20000 0.50000 0.00000 -0.17000 0.00000 -0.06000 0.00000 2.38000 67.00000 BUD14_1SEM-21_18.PDB 2.85147 -5.69000 -0.61000 -0.50000 -4.88000 -0.58000 3.98000 -6.76000 0.46000 2.13000 1.63000 0.00000 0.00000 0.00000 0.20000 0.43000 0.00000 -0.26000 0.00000 -0.50000 0.00000 2.38000 67.00000 BUD14_1SEM-21_19.PDB 2.21101 -8.60000 -0.61000 -0.54000 -6.25000 -0.07000 3.52000 -9.72000 0.45000 2.74000 1.52000 0.00000 0.00000 0.00000 0.30000 0.24000 0.00000 -0.03000 0.00000 0.09000 0.00000 2.38000 67.00000 BUD14_1SEM-21_20.PDB 2.71636 -5.99000 -0.56000 -0.54000 -4.90000 -0.22000 3.24000 -7.26000 0.41000 2.14000 1.55000 0.00000 0.00000 0.00000 0.21000 0.30000 0.00000 0.05000 0.00000 -0.12000 0.00000 2.38000 67.00000 BUD14_1SEM-21_21.PDB 2.85690 -6.52000 -0.56000 -0.54000 -5.33000 -0.24000 3.48000 -7.88000 0.41000 2.49000 1.60000 0.00000 0.00000 0.00000 0.22000 0.26000 0.00000 -0.06000 0.00000 -0.11000 0.00000 2.38000 67.00000 BUD14_1SEM-21_22.PDB 2.74620 -7.01000 -0.46000 -0.46000 -5.37000 -0.11000 3.36000 -8.00000 0.50000 2.14000 1.30000 0.00000 0.00000 0.00000 0.23000 0.15000 0.00000 -0.15000 0.00000 0.00000 0.00000 2.38000 67.00000 BUD14_1SEM-21_23.PDB 2.98786 -6.09000 -0.60000 -1.10000 -4.98000 -0.84000 4.21000 -6.85000 0.43000 2.54000 1.57000 0.00000 0.00000 0.00000 0.26000 0.33000 0.00000 -0.23000 0.00000 -0.50000 0.00000 2.38000 67.00000 BUD14_1SEM-21_24.PDB 3.37823 -7.83000 -0.57000 -0.50000 -5.81000 -0.08000 3.38000 -9.03000 0.47000 2.51000 1.53000 0.00000 0.00000 0.00000 0.29000 0.30000 0.00000 -0.08000 0.00000 0.07000 0.00000 2.38000 67.00000 BUD14_1SEM-21_25.PDB 3.20297 -8.22000 -0.55000 -0.48000 -6.36000 0.01000 3.67000 -9.83000 0.50000 2.82000 1.56000 0.00000 0.00000 0.00000 0.31000 0.35000 0.00000 -0.05000 0.00000 0.19000 0.00000 2.38000 67.00000 BUD14_1SEM-21_26.PDB 2.67454 -5.93000 -0.55000 -0.51000 -4.95000 -0.18000 3.31000 -7.31000 0.47000 2.25000 1.47000 0.00000 0.00000 0.00000 0.22000 0.40000 0.00000 -0.08000 0.00000 -0.06000 0.00000 2.38000 67.00000 BUD14_1SEM-21_27.PDB 2.64139 -5.72000 -0.55000 -0.54000 -4.83000 -0.08000 3.24000 -7.07000 0.44000 1.88000 1.55000 0.00000 0.00000 0.00000 0.27000 0.25000 0.00000 -0.09000 0.00000 0.08000 0.00000 2.38000 67.00000 BUD14_1SEM-21_28.PDB 2.71691 -6.48000 -0.54000 -0.51000 -5.28000 -0.07000 3.37000 -7.86000 0.43000 2.17000 1.48000 0.00000 0.00000 0.00000 0.21000 0.24000 0.00000 0.04000 0.00000 0.08000 0.00000 2.38000 67.00000 BUD14_1SEM-21_29.PDB 2.44495 -5.96000 -0.59000 -0.48000 -5.03000 -0.07000 3.54000 -7.33000 0.70000 2.03000 1.16000 0.00000 0.00000 0.00000 0.17000 0.53000 0.00000 -0.13000 0.00000 0.07000 0.00000 2.38000 67.00000 BUD14_1SEM-21_30.PDB 2.92954 -5.18000 -0.62000 -0.53000 -4.73000 -0.51000 3.80000 -6.56000 0.55000 2.09000 1.55000 0.00000 0.00000 0.00000 0.21000 0.36000 0.00000 -0.08000 0.00000 -0.37000 0.00000 2.38000 67.00000