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-23_1.PDB 1.95642 -9.62000 -1.63000 -2.32000 -6.21000 -1.09000 4.62000 -8.82000 0.13000 4.89000 2.11000 0.00000 0.00000 0.00000 0.06000 0.42000 0.00000 -0.26000 0.00000 -1.12000 0.00000 2.38000 64.00000 BUD14_1SEM-23_2.PDB 1.61169 -9.76000 -1.54000 -2.31000 -6.43000 -1.07000 4.75000 -9.18000 0.08000 4.94000 2.37000 0.00000 0.00000 0.00000 0.08000 0.39000 0.00000 -0.36000 0.00000 -1.10000 0.00000 2.38000 64.00000 BUD14_1SEM-23_3.PDB 2.27277 -8.22000 -1.44000 -1.34000 -5.63000 -0.46000 3.64000 -8.36000 0.21000 3.86000 2.13000 0.00000 0.00000 0.00000 0.05000 0.32000 0.00000 -0.24000 0.00000 -0.65000 0.00000 2.38000 64.00000 BUD14_1SEM-23_4.PDB 2.20891 -9.02000 -0.67000 -0.74000 -5.91000 -1.01000 3.98000 -8.83000 0.07000 3.61000 1.98000 0.00000 0.00000 0.00000 0.03000 0.35000 0.00000 -0.36000 0.00000 -1.17000 0.00000 2.38000 64.00000 BUD14_1SEM-23_5.PDB 2.98320 -8.91000 -1.57000 -1.47000 -6.08000 -0.53000 3.91000 -8.89000 0.10000 4.15000 2.33000 0.00000 0.00000 0.00000 0.04000 0.44000 0.00000 -0.31000 0.00000 -0.60000 0.00000 2.38000 64.00000 BUD14_1SEM-23_6.PDB 1.71295 -8.44000 -1.53000 -2.26000 -6.15000 -1.10000 4.60000 -8.73000 0.78000 5.00000 2.25000 0.00000 0.00000 0.00000 0.06000 0.38000 0.00000 -0.25000 0.00000 -1.10000 0.00000 2.38000 64.00000 BUD14_1SEM-23_7.PDB 2.64033 -8.23000 -1.40000 -1.34000 -5.80000 -0.55000 3.80000 -8.59000 0.09000 4.18000 2.47000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.39000 0.00000 -0.73000 0.00000 2.38000 64.00000 BUD14_1SEM-23_8.PDB 2.06306 -9.61000 -1.49000 -2.09000 -6.33000 -0.93000 4.39000 -9.27000 0.08000 4.61000 2.91000 0.00000 0.00000 0.00000 0.08000 0.42000 0.00000 -0.50000 0.00000 -1.06000 0.00000 2.38000 64.00000 BUD14_1SEM-23_9.PDB 2.09245 -7.30000 -0.49000 -0.42000 -5.14000 -0.66000 3.39000 -7.86000 0.07000 3.12000 1.70000 0.00000 0.00000 0.00000 0.01000 0.36000 0.00000 -0.16000 0.00000 -0.85000 0.00000 2.38000 64.00000 BUD14_1SEM-23_10.PDB 2.31145 -9.65000 -1.48000 -1.40000 -6.51000 -0.42000 4.00000 -9.78000 0.24000 4.17000 2.31000 0.00000 0.00000 0.00000 0.11000 0.41000 0.00000 -0.35000 0.00000 -0.53000 0.00000 2.38000 64.00000 BUD14_1SEM-23_11.PDB 2.38496 -8.94000 -1.55000 -1.44000 -6.22000 -0.45000 3.99000 -9.16000 0.07000 4.19000 2.53000 0.00000 0.00000 0.00000 0.05000 0.41000 0.00000 -0.38000 0.00000 -0.56000 0.00000 2.38000 64.00000 BUD14_1SEM-23_12.PDB 2.20065 -9.19000 -1.46000 -2.08000 -6.36000 -1.26000 4.85000 -9.02000 0.11000 5.12000 2.45000 0.00000 0.00000 0.00000 0.17000 0.57000 0.00000 -0.40000 0.00000 -1.30000 0.00000 2.38000 64.00000 BUD14_1SEM-23_13.PDB 1.44648 -9.84000 -2.40000 -3.18000 -6.66000 -1.25000 5.38000 -9.34000 1.04000 5.67000 2.20000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.13000 0.00000 -1.23000 0.00000 2.38000 64.00000 BUD14_1SEM-23_14.PDB 2.88355 -8.70000 -1.49000 -1.42000 -6.25000 -0.57000 4.09000 -9.20000 0.10000 4.36000 2.70000 0.00000 0.00000 0.00000 0.02000 0.38000 0.00000 -0.31000 0.00000 -0.73000 0.00000 2.38000 64.00000 BUD14_1SEM-23_15.PDB 2.19222 -8.27000 -1.43000 -1.34000 -5.64000 -0.46000 3.55000 -8.39000 0.11000 4.00000 2.13000 0.00000 0.00000 0.00000 0.05000 0.42000 0.00000 -0.22000 0.00000 -0.63000 0.00000 2.38000 64.00000 BUD14_1SEM-23_16.PDB 1.92266 -9.26000 -1.55000 -2.18000 -6.13000 -1.38000 4.69000 -8.73000 0.15000 5.13000 2.57000 0.00000 0.00000 0.00000 0.07000 0.35000 0.00000 -0.54000 0.00000 -1.37000 0.00000 2.38000 64.00000 BUD14_1SEM-23_17.PDB 1.59229 -7.84000 -0.63000 -1.15000 -5.52000 -0.67000 3.46000 -8.48000 0.05000 3.91000 2.10000 0.00000 0.00000 0.00000 0.15000 0.40000 0.00000 -0.20000 0.00000 -0.86000 0.00000 2.38000 64.00000 BUD14_1SEM-23_18.PDB 2.16723 -9.32000 -1.51000 -1.42000 -6.22000 -0.39000 3.85000 -9.32000 0.07000 4.00000 2.36000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.30000 0.00000 -0.50000 0.00000 2.38000 64.00000 BUD14_1SEM-23_19.PDB 2.50259 -8.59000 -1.54000 -1.41000 -6.13000 -0.47000 3.94000 -9.04000 0.18000 4.22000 2.39000 0.00000 0.00000 0.00000 0.06000 0.32000 0.00000 -0.22000 0.00000 -0.56000 0.00000 2.38000 64.00000 BUD14_1SEM-23_20.PDB 1.94812 -9.13000 -1.44000 -2.24000 -6.32000 -1.27000 4.78000 -8.97000 0.09000 5.18000 2.61000 0.00000 0.00000 0.00000 0.14000 0.63000 0.00000 -0.36000 0.00000 -1.33000 0.00000 2.38000 64.00000 BUD14_1SEM-23_21.PDB 1.94404 -9.98000 -1.52000 -2.20000 -6.18000 -1.31000 4.64000 -8.83000 0.14000 4.81000 2.21000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.42000 0.00000 -1.37000 0.00000 2.38000 64.00000 BUD14_1SEM-23_22.PDB 2.38205 -8.98000 -1.52000 -1.43000 -6.04000 -0.54000 3.76000 -9.02000 0.20000 4.13000 2.45000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -0.37000 0.00000 -0.65000 0.00000 2.38000 64.00000 BUD14_1SEM-23_23.PDB 2.09658 -10.27000 -2.36000 -2.28000 -6.70000 -0.65000 4.83000 -9.62000 0.29000 4.73000 2.41000 0.00000 0.00000 0.00000 0.06000 0.52000 0.00000 -0.26000 0.00000 -0.72000 0.00000 2.38000 64.00000 BUD14_1SEM-23_24.PDB 2.14518 -8.23000 -1.49000 -1.43000 -5.59000 -0.64000 3.65000 -8.24000 0.07000 4.11000 2.48000 0.00000 0.00000 0.00000 0.02000 0.53000 0.00000 -0.34000 0.00000 -0.82000 0.00000 2.38000 64.00000 BUD14_1SEM-23_25.PDB 1.99756 -9.16000 -1.62000 -2.18000 -6.54000 -0.98000 5.04000 -9.32000 0.22000 4.95000 2.37000 0.00000 0.00000 0.00000 0.10000 0.42000 0.00000 -0.22000 0.00000 -0.99000 0.00000 2.38000 64.00000 BUD14_1SEM-23_26.PDB 2.01291 -9.15000 -2.37000 -3.02000 -6.43000 -1.08000 5.38000 -8.86000 1.01000 5.43000 2.07000 0.00000 0.00000 0.00000 0.15000 0.61000 0.00000 -0.34000 0.00000 -1.08000 0.00000 2.38000 64.00000 BUD14_1SEM-23_27.PDB 2.00747 -9.19000 -0.66000 -1.50000 -6.19000 -1.26000 4.41000 -9.13000 0.10000 4.31000 2.11000 0.00000 0.00000 0.00000 0.16000 0.46000 0.00000 -0.25000 0.00000 -1.27000 0.00000 2.38000 64.00000 BUD14_1SEM-23_28.PDB 2.06612 -7.31000 -0.50000 -0.44000 -5.34000 -0.62000 3.43000 -8.11000 0.07000 3.20000 1.81000 0.00000 0.00000 0.00000 0.08000 0.39000 0.00000 -0.08000 0.00000 -0.83000 0.00000 2.38000 64.00000 BUD14_1SEM-23_29.PDB 2.41427 -8.86000 -1.55000 -1.42000 -6.04000 -0.43000 3.81000 -8.93000 0.08000 4.02000 2.50000 0.00000 0.00000 0.00000 0.06000 0.46000 0.00000 -0.41000 0.00000 -0.56000 0.00000 2.38000 64.00000 BUD14_1SEM-23_30.PDB 3.32756 -8.66000 -1.49000 -1.43000 -6.36000 -0.39000 3.97000 -9.44000 0.14000 4.31000 2.70000 0.00000 0.00000 0.00000 0.13000 0.51000 0.00000 -0.30000 0.00000 -0.50000 0.00000 2.38000 64.00000