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-20_1.PDB 2.96541 -7.19000 -1.38000 -1.35000 -9.47000 -0.50000 8.10000 -13.08000 1.34000 5.13000 4.46000 0.00000 0.00000 0.00000 0.06000 0.59000 0.00000 -0.29000 0.00000 -0.23000 0.00000 2.38000 66.00000 BUD14_1SEM-20_2.PDB 4.84362 -6.66000 -1.38000 -1.35000 -9.22000 -0.44000 8.14000 -12.73000 1.76000 4.76000 3.97000 0.00000 0.00000 0.00000 0.40000 0.62000 0.00000 -0.36000 0.00000 -0.23000 0.00000 2.38000 66.00000 BUD14_1SEM-20_3.PDB 5.11301 -5.81000 -1.39000 -1.35000 -9.18000 -1.11000 8.41000 -12.48000 2.60000 5.47000 4.17000 0.00000 0.00000 0.00000 0.16000 0.71000 0.00000 -0.37000 0.00000 -0.74000 0.00000 2.38000 66.00000 BUD14_1SEM-20_4.PDB 1.92099 -8.71000 -1.38000 -1.35000 -9.65000 -0.74000 8.29000 -13.32000 0.93000 5.39000 4.04000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.46000 0.00000 -0.49000 0.00000 2.38000 66.00000 BUD14_1SEM-20_5.PDB 4.47888 -6.13000 -1.36000 -1.33000 -9.22000 -0.53000 8.12000 -12.86000 2.32000 5.04000 3.83000 0.00000 0.00000 0.00000 0.32000 0.70000 0.00000 -0.20000 0.00000 -0.25000 0.00000 2.38000 66.00000 BUD14_1SEM-20_6.PDB 2.37241 -7.93000 -1.38000 -1.33000 -9.97000 -0.46000 8.25000 -14.03000 2.21000 5.24000 3.76000 0.00000 0.00000 0.00000 0.08000 0.64000 0.00000 -0.10000 0.00000 -0.19000 0.00000 2.38000 66.00000 BUD14_1SEM-20_7.PDB 3.25416 -7.47000 -1.38000 -1.36000 -9.25000 -0.45000 8.13000 -12.66000 1.28000 4.64000 3.90000 0.00000 0.00000 0.00000 0.15000 0.58000 0.00000 -0.23000 0.00000 -0.22000 0.00000 2.38000 66.00000 BUD14_1SEM-20_8.PDB 3.30134 -7.35000 -1.37000 -1.35000 -9.02000 -1.11000 8.13000 -12.46000 1.22000 5.47000 4.17000 0.00000 0.00000 0.00000 0.13000 0.59000 0.00000 -0.43000 0.00000 -0.71000 0.00000 2.38000 66.00000 BUD14_1SEM-20_9.PDB 3.21818 -7.58000 -1.38000 -1.35000 -9.18000 -0.51000 8.09000 -12.78000 1.09000 4.96000 3.89000 0.00000 0.00000 0.00000 0.11000 0.59000 0.00000 -0.31000 0.00000 -0.22000 0.00000 2.38000 66.00000 BUD14_1SEM-20_10.PDB 2.70668 -7.56000 -1.46000 -1.43000 -9.39000 -0.74000 8.08000 -13.04000 2.27000 5.30000 3.78000 0.00000 0.00000 0.00000 0.04000 0.44000 0.00000 -0.45000 0.00000 -0.52000 0.00000 2.38000 66.00000 BUD14_1SEM-20_11.PDB 2.26746 -8.45000 -2.24000 -2.21000 -9.82000 -0.49000 8.74000 -13.33000 0.92000 6.01000 4.40000 0.00000 0.00000 0.00000 0.01000 0.45000 0.00000 -0.18000 0.00000 -0.26000 0.00000 2.38000 66.00000 BUD14_1SEM-20_12.PDB 3.00030 -8.26000 -2.04000 -2.71000 -9.53000 -0.48000 9.30000 -12.91000 1.34000 5.61000 3.75000 0.00000 0.00000 0.00000 0.15000 0.70000 0.00000 -0.59000 0.00000 -0.15000 0.00000 2.38000 66.00000 BUD14_1SEM-20_13.PDB 4.32366 -5.86000 -1.37000 -2.04000 -9.30000 -0.48000 8.35000 -12.62000 2.10000 5.37000 4.58000 0.00000 0.00000 0.00000 0.08000 0.65000 0.00000 -0.26000 0.00000 -0.27000 0.00000 2.38000 66.00000 BUD14_1SEM-20_14.PDB 4.29659 -6.64000 -1.40000 -1.35000 -9.15000 -1.03000 8.34000 -12.64000 1.78000 5.56000 4.12000 0.00000 0.00000 0.00000 0.07000 0.72000 0.00000 -0.29000 0.00000 -0.64000 0.00000 2.38000 66.00000 BUD14_1SEM-20_15.PDB 2.72817 -7.29000 -1.38000 -2.03000 -9.37000 -0.39000 8.36000 -12.75000 1.21000 5.46000 3.98000 0.00000 0.00000 0.00000 0.14000 0.49000 0.00000 -0.29000 0.00000 -0.21000 0.00000 2.38000 66.00000 BUD14_1SEM-20_16.PDB 2.73349 -7.72000 -1.37000 -1.34000 -9.41000 -0.51000 8.31000 -13.13000 0.93000 5.09000 3.88000 0.00000 0.00000 0.00000 0.17000 0.49000 0.00000 -0.10000 0.00000 -0.23000 0.00000 2.38000 66.00000 BUD14_1SEM-20_17.PDB 2.33819 -8.03000 -1.38000 -1.35000 -9.43000 -0.37000 8.09000 -12.99000 1.01000 4.78000 3.89000 0.00000 0.00000 0.00000 0.02000 0.45000 0.00000 -0.17000 0.00000 -0.14000 0.00000 2.38000 66.00000 BUD14_1SEM-20_18.PDB 4.23291 -6.20000 -1.38000 -2.03000 -9.30000 -0.72000 8.33000 -12.76000 2.23000 5.71000 4.49000 0.00000 0.00000 0.00000 0.02000 0.67000 0.00000 -0.31000 0.00000 -0.47000 0.00000 2.38000 66.00000 BUD14_1SEM-20_19.PDB 2.22041 -7.93000 -2.24000 -2.21000 -9.94000 -0.41000 8.99000 -13.65000 1.25000 6.12000 4.44000 0.00000 0.00000 0.00000 0.01000 0.45000 0.00000 -0.17000 0.00000 -0.13000 0.00000 2.38000 66.00000 BUD14_1SEM-20_20.PDB 4.30806 -6.97000 -1.38000 -2.03000 -9.06000 -0.52000 8.28000 -12.43000 1.75000 5.13000 3.86000 0.00000 0.00000 0.00000 0.08000 0.64000 0.00000 -0.42000 0.00000 -0.23000 0.00000 2.38000 66.00000 BUD14_1SEM-20_21.PDB 4.62102 -6.29000 -1.37000 -2.02000 -9.63000 -0.52000 8.52000 -13.30000 2.24000 5.66000 4.37000 0.00000 0.00000 0.00000 0.33000 0.67000 0.00000 -0.35000 0.00000 -0.22000 0.00000 2.38000 66.00000 BUD14_1SEM-20_22.PDB 2.26596 -8.05000 -2.92000 -2.93000 -10.19000 -0.45000 10.09000 -13.55000 1.28000 6.48000 4.51000 0.00000 0.00000 0.00000 0.02000 0.45000 0.00000 -0.19000 0.00000 -0.21000 0.00000 2.38000 66.00000 BUD14_1SEM-20_23.PDB 4.18745 -6.48000 -1.37000 -2.04000 -9.24000 -0.48000 8.25000 -12.53000 1.86000 5.31000 4.28000 0.00000 0.00000 0.00000 0.09000 0.69000 0.00000 -0.38000 0.00000 -0.22000 0.00000 2.38000 66.00000 BUD14_1SEM-20_24.PDB 5.47218 -5.91000 -1.39000 -2.04000 -9.44000 -0.50000 8.49000 -13.04000 2.61000 5.62000 3.99000 0.00000 0.00000 0.00000 0.23000 0.72000 0.00000 -0.22000 0.00000 -0.21000 0.00000 2.38000 66.00000 BUD14_1SEM-20_25.PDB 2.47523 -7.38000 -1.37000 -1.35000 -9.57000 -0.43000 8.10000 -13.44000 2.06000 4.98000 3.86000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.09000 0.00000 -0.16000 0.00000 2.38000 66.00000 BUD14_1SEM-20_26.PDB 2.36848 -8.65000 -1.36000 -2.01000 -10.09000 -0.48000 8.55000 -14.07000 1.16000 5.71000 4.27000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.14000 0.00000 -0.21000 0.00000 2.38000 66.00000 BUD14_1SEM-20_27.PDB 2.18662 -8.79000 -1.37000 -2.04000 -10.08000 -0.46000 8.52000 -13.86000 1.05000 5.61000 4.27000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.24000 0.00000 -0.22000 0.00000 2.38000 66.00000 BUD14_1SEM-20_28.PDB 2.36559 -7.57000 -1.38000 -2.04000 -9.41000 -0.39000 8.33000 -12.83000 1.30000 5.19000 3.98000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -0.21000 0.00000 -0.15000 0.00000 2.38000 66.00000 BUD14_1SEM-20_29.PDB 2.65875 -8.16000 -1.38000 -1.36000 -9.41000 -0.44000 8.18000 -13.08000 0.90000 4.83000 3.83000 0.00000 0.00000 0.00000 0.06000 0.55000 0.00000 -0.15000 0.00000 -0.14000 0.00000 2.38000 66.00000 BUD14_1SEM-20_30.PDB 2.20357 -7.86000 -1.38000 -2.03000 -9.24000 -0.57000 8.17000 -12.62000 0.99000 5.45000 3.92000 0.00000 0.00000 0.00000 0.02000 0.47000 0.00000 -0.22000 0.00000 -0.35000 0.00000 2.38000 66.00000