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-2_1.PDB 4.49560 0.44000 -1.66000 -1.50000 -8.28000 -1.28000 8.46000 -10.74000 8.74000 5.43000 3.11000 0.00000 0.00000 0.00000 0.04000 0.57000 0.00000 -0.55000 0.00000 -1.33000 0.00000 2.38000 67.00000 BUD14_1SEM-2_2.PDB 4.37703 -0.14000 -1.57000 -1.46000 -8.14000 -1.33000 8.32000 -10.58000 7.93000 5.51000 3.09000 0.00000 0.00000 0.00000 0.05000 0.52000 0.00000 -0.65000 0.00000 -1.30000 0.00000 2.38000 67.00000 BUD14_1SEM-2_3.PDB 4.91106 -1.52000 -1.08000 -0.95000 -7.96000 -1.53000 7.57000 -10.74000 7.63000 4.29000 3.10000 0.00000 0.00000 0.00000 0.16000 0.50000 0.00000 -0.41000 0.00000 -1.59000 0.00000 2.38000 67.00000 BUD14_1SEM-2_4.PDB 4.46204 -0.68000 -1.95000 -2.50000 -8.96000 -1.75000 9.42000 -11.43000 9.15000 6.29000 3.29000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.58000 0.00000 -1.68000 0.00000 2.38000 67.00000 BUD14_1SEM-2_5.PDB 4.61188 -0.69000 -1.92000 -1.87000 -8.90000 -1.75000 9.50000 -11.59000 8.93000 5.35000 3.28000 0.00000 0.00000 0.00000 0.06000 0.53000 0.00000 -0.43000 0.00000 -1.35000 0.00000 2.38000 67.00000 BUD14_1SEM-2_6.PDB 4.41030 -0.11000 -1.63000 -1.49000 -8.10000 -1.08000 8.30000 -10.54000 8.12000 5.17000 2.78000 0.00000 0.00000 0.00000 0.05000 0.56000 0.00000 -0.58000 0.00000 -1.11000 0.00000 2.38000 67.00000 BUD14_1SEM-2_7.PDB 4.66742 0.30000 -1.66000 -1.77000 -7.69000 -1.30000 7.91000 -10.19000 8.69000 5.93000 2.51000 0.00000 0.00000 0.00000 0.04000 0.55000 0.00000 -0.81000 0.00000 -1.35000 0.00000 2.38000 67.00000 BUD14_1SEM-2_8.PDB 4.75599 0.07000 -1.97000 -1.90000 -8.95000 -1.38000 9.25000 -11.74000 9.76000 5.28000 3.52000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -0.64000 0.00000 -1.22000 0.00000 2.38000 67.00000 BUD14_1SEM-2_9.PDB 4.16261 0.31000 -1.71000 -1.58000 -7.81000 -1.20000 8.13000 -10.16000 7.12000 5.89000 3.38000 0.00000 0.00000 0.00000 0.03000 0.58000 0.00000 -0.57000 0.00000 -1.23000 0.00000 2.38000 67.00000 BUD14_1SEM-2_10.PDB 4.61397 0.39000 -1.66000 -1.51000 -8.10000 -1.06000 8.16000 -10.56000 8.43000 5.25000 3.14000 0.00000 0.00000 0.00000 0.06000 0.58000 0.00000 -0.69000 0.00000 -1.06000 0.00000 2.38000 67.00000 BUD14_1SEM-2_11.PDB 4.43455 0.76000 -1.59000 -1.45000 -8.02000 -0.94000 8.06000 -10.50000 7.97000 5.27000 3.44000 0.00000 0.00000 0.00000 0.06000 0.52000 0.00000 -0.60000 0.00000 -0.94000 0.00000 2.38000 67.00000 BUD14_1SEM-2_12.PDB 3.69806 -0.34000 -1.98000 -1.86000 -8.02000 -1.09000 7.90000 -10.60000 8.33000 5.01000 3.47000 0.00000 0.00000 0.00000 0.03000 0.51000 0.00000 -0.36000 0.00000 -1.17000 0.00000 2.38000 67.00000 BUD14_1SEM-2_13.PDB 4.55685 -0.32000 -2.06000 -1.97000 -7.58000 -1.13000 7.72000 -10.00000 7.49000 5.54000 3.26000 0.00000 0.00000 0.00000 0.03000 0.52000 0.00000 -0.36000 0.00000 -1.26000 0.00000 2.38000 67.00000 BUD14_1SEM-2_14.PDB 4.65845 -0.53000 -2.05000 -1.96000 -7.67000 -1.14000 8.22000 -10.00000 7.26000 5.47000 2.93000 0.00000 0.00000 0.00000 0.02000 0.52000 0.00000 -0.46000 0.00000 -1.15000 0.00000 2.38000 67.00000 BUD14_1SEM-2_15.PDB 6.17517 -0.92000 -1.93000 -2.05000 -7.92000 -1.25000 8.28000 -10.51000 7.01000 6.09000 3.29000 0.00000 0.00000 0.00000 0.21000 0.57000 0.00000 -0.83000 0.00000 -1.30000 0.00000 2.38000 67.00000 BUD14_1SEM-2_16.PDB 4.60930 -0.05000 -1.96000 -1.86000 -8.40000 -1.34000 8.52000 -11.02000 8.54000 5.22000 3.89000 0.00000 0.00000 0.00000 0.05000 0.63000 0.00000 -0.43000 0.00000 -1.27000 0.00000 2.38000 67.00000 BUD14_1SEM-2_17.PDB 4.49920 0.23000 -1.65000 -1.53000 -7.73000 -1.10000 7.90000 -10.16000 7.52000 5.82000 2.97000 0.00000 0.00000 0.00000 0.03000 0.57000 0.00000 -0.73000 0.00000 -1.13000 0.00000 2.38000 67.00000 BUD14_1SEM-2_18.PDB 4.58183 -0.44000 -1.63000 -1.51000 -8.24000 -1.48000 8.40000 -10.67000 8.46000 5.35000 2.75000 0.00000 0.00000 0.00000 0.07000 0.56000 0.00000 -0.48000 0.00000 -1.45000 0.00000 2.38000 67.00000 BUD14_1SEM-2_19.PDB 4.86581 -0.36000 -2.04000 -1.98000 -8.17000 -1.38000 8.63000 -10.62000 7.98000 5.49000 3.40000 0.00000 0.00000 0.00000 0.03000 0.60000 0.00000 -0.44000 0.00000 -1.27000 0.00000 2.38000 67.00000 BUD14_1SEM-2_20.PDB 4.86311 0.77000 -1.59000 -1.45000 -8.21000 -1.42000 8.93000 -10.66000 8.46000 5.53000 3.45000 0.00000 0.00000 0.00000 0.05000 0.54000 0.00000 -0.91000 0.00000 -1.42000 0.00000 2.38000 67.00000 BUD14_1SEM-2_21.PDB 4.49097 -1.41000 -1.90000 -1.82000 -7.98000 -1.21000 7.92000 -10.51000 8.38000 5.04000 2.50000 0.00000 0.00000 0.00000 0.03000 0.57000 0.00000 -0.69000 0.00000 -1.17000 0.00000 2.38000 67.00000 BUD14_1SEM-2_22.PDB 5.16441 -0.78000 -1.97000 -1.85000 -8.74000 -1.33000 9.02000 -11.52000 8.36000 5.24000 3.49000 0.00000 0.00000 0.00000 0.19000 0.53000 0.00000 -0.62000 0.00000 -1.05000 0.00000 2.38000 67.00000 BUD14_1SEM-2_23.PDB 4.27595 -0.75000 -1.97000 -1.85000 -8.29000 -1.67000 9.00000 -10.83000 8.44000 5.59000 3.08000 0.00000 0.00000 0.00000 0.05000 0.65000 0.00000 -0.87000 0.00000 -1.44000 0.00000 2.38000 67.00000 BUD14_1SEM-2_24.PDB 4.42028 0.83000 -1.59000 -1.46000 -7.94000 -0.92000 7.94000 -10.41000 7.96000 5.18000 3.43000 0.00000 0.00000 0.00000 0.06000 0.53000 0.00000 -0.53000 0.00000 -0.90000 0.00000 2.38000 67.00000 BUD14_1SEM-2_25.PDB 4.12155 -0.41000 -1.97000 -1.84000 -8.43000 -0.99000 8.31000 -11.16000 7.33000 5.53000 4.05000 0.00000 0.00000 0.00000 0.18000 0.54000 0.00000 -0.40000 0.00000 -1.01000 0.00000 2.38000 67.00000 BUD14_1SEM-2_26.PDB 5.31939 -0.49000 -1.73000 -1.62000 -7.77000 -1.68000 8.82000 -10.09000 7.05000 6.01000 2.91000 0.00000 0.00000 0.00000 0.07000 0.57000 0.00000 -0.89000 0.00000 -1.57000 0.00000 2.38000 67.00000 BUD14_1SEM-2_27.PDB 4.23304 -0.14000 -2.04000 -1.95000 -7.51000 -1.02000 7.71000 -9.93000 7.69000 5.24000 3.18000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -0.40000 0.00000 -1.13000 0.00000 2.38000 67.00000 BUD14_1SEM-2_28.PDB 3.90214 0.46000 -0.84000 -0.75000 -7.43000 -1.24000 7.66000 -9.93000 7.07000 4.95000 2.78000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.62000 0.00000 -1.24000 0.00000 2.38000 67.00000 BUD14_1SEM-2_29.PDB 4.51700 -1.53000 -1.99000 -1.86000 -8.38000 -1.54000 8.54000 -10.78000 8.48000 5.27000 3.06000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -0.90000 0.00000 -1.48000 0.00000 2.38000 67.00000 BUD14_1SEM-2_30.PDB 5.24172 -1.22000 -2.05000 -1.97000 -8.14000 -1.21000 8.53000 -10.67000 6.53000 5.44000 3.77000 0.00000 0.00000 0.00000 0.18000 0.58000 0.00000 -0.44000 0.00000 -1.19000 0.00000 2.38000 67.00000