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-1_1.PDB 5.52269 -13.53000 -2.02000 -4.51000 -11.54000 -2.08000 9.87000 -15.88000 2.23000 8.34000 3.71000 0.00000 0.00000 0.00000 0.38000 0.50000 0.00000 -0.49000 0.00000 -1.53000 0.00000 2.38000 67.00000 BUD14_1SEM-1_2.PDB 5.01760 -14.38000 -2.07000 -3.63000 -12.18000 -2.86000 11.34000 -16.43000 1.94000 7.90000 3.71000 0.00000 0.00000 0.00000 0.41000 0.72000 0.00000 -0.94000 0.00000 -1.58000 0.00000 2.38000 67.00000 BUD14_1SEM-1_3.PDB 5.49725 -11.70000 -2.02000 -2.78000 -10.74000 -1.70000 9.30000 -14.83000 1.93000 7.32000 3.59000 0.00000 0.00000 0.00000 0.23000 0.50000 0.00000 -0.36000 0.00000 -1.65000 0.00000 2.38000 67.00000 BUD14_1SEM-1_4.PDB 5.24166 -10.73000 -2.02000 -1.91000 -10.67000 -1.30000 8.99000 -14.89000 2.02000 6.59000 3.71000 0.00000 0.00000 0.00000 0.21000 0.49000 0.00000 -0.33000 0.00000 -1.12000 0.00000 2.38000 67.00000 BUD14_1SEM-1_5.PDB 6.50954 -11.89000 -2.03000 -1.91000 -11.03000 -1.83000 8.77000 -15.17000 2.48000 5.72000 4.36000 0.00000 0.00000 0.00000 0.56000 0.64000 0.00000 -0.39000 0.00000 -1.43000 0.00000 2.38000 67.00000 BUD14_1SEM-1_6.PDB 4.98348 -13.15000 -2.05000 -3.63000 -11.61000 -2.37000 10.32000 -15.71000 1.93000 8.25000 3.81000 0.00000 0.00000 0.00000 0.44000 0.55000 0.00000 -1.10000 0.00000 -1.43000 0.00000 2.38000 67.00000 BUD14_1SEM-1_7.PDB 5.89477 -12.59000 -1.96000 -2.72000 -11.27000 -1.84000 9.26000 -15.69000 1.85000 7.17000 3.58000 0.00000 0.00000 0.00000 1.14000 0.54000 0.00000 -0.50000 0.00000 -1.62000 0.00000 2.38000 67.00000 BUD14_1SEM-1_8.PDB 7.29155 -12.62000 -1.94000 -2.73000 -11.32000 -1.74000 9.89000 -15.51000 0.89000 7.19000 3.51000 0.00000 0.00000 0.00000 1.12000 0.55000 0.00000 -0.53000 0.00000 -1.44000 0.00000 2.38000 67.00000 BUD14_1SEM-1_9.PDB 5.38792 -15.50000 -1.93000 -2.22000 -10.96000 -1.56000 8.11000 -15.39000 0.67000 5.87000 3.15000 0.00000 0.00000 0.00000 0.49000 0.65000 0.00000 -0.36000 0.00000 -1.37000 0.00000 2.38000 67.00000 BUD14_1SEM-1_10.PDB 5.00159 -13.96000 -2.03000 -1.90000 -10.80000 -1.60000 8.69000 -14.86000 1.86000 5.61000 2.85000 0.00000 0.00000 0.00000 0.29000 0.58000 0.00000 -0.70000 0.00000 -1.37000 0.00000 2.38000 67.00000 BUD14_1SEM-1_11.PDB 5.66235 -13.20000 -2.04000 -4.00000 -11.72000 -2.24000 9.80000 -15.84000 2.65000 7.33000 4.46000 0.00000 0.00000 0.00000 0.37000 0.65000 0.00000 -0.55000 0.00000 -1.43000 0.00000 2.38000 67.00000 BUD14_1SEM-1_12.PDB 5.10218 -12.48000 -1.40000 -3.75000 -10.86000 -2.18000 9.19000 -15.06000 2.19000 7.65000 3.09000 0.00000 0.00000 0.00000 0.55000 0.59000 0.00000 -0.35000 0.00000 -1.54000 0.00000 2.38000 67.00000 BUD14_1SEM-1_13.PDB 6.06430 -12.45000 -1.39000 -3.74000 -10.65000 -1.85000 9.17000 -14.69000 1.79000 7.24000 2.86000 0.00000 0.00000 0.00000 0.41000 0.48000 0.00000 -0.23000 0.00000 -1.36000 0.00000 2.38000 67.00000 BUD14_1SEM-1_14.PDB 5.10213 -14.33000 -2.07000 -2.36000 -11.15000 -1.72000 8.30000 -15.82000 1.77000 6.39000 3.60000 0.00000 0.00000 0.00000 0.37000 0.74000 0.00000 -0.29000 0.00000 -1.34000 0.00000 2.38000 67.00000 BUD14_1SEM-1_15.PDB 5.47394 -12.74000 -1.41000 -2.18000 -10.23000 -1.95000 8.12000 -14.42000 2.03000 6.32000 2.71000 0.00000 0.00000 0.00000 0.25000 0.48000 0.00000 -0.31000 0.00000 -1.66000 0.00000 2.38000 67.00000 BUD14_1SEM-1_16.PDB 5.40563 -11.97000 -2.02000 -1.90000 -11.11000 -1.43000 8.81000 -15.53000 2.00000 6.94000 3.70000 0.00000 0.00000 0.00000 0.32000 0.57000 0.00000 -0.43000 0.00000 -1.32000 0.00000 2.38000 67.00000 BUD14_1SEM-1_17.PDB 4.33188 -13.32000 -2.07000 -2.81000 -11.18000 -1.99000 9.42000 -15.70000 1.66000 7.38000 3.67000 0.00000 0.00000 0.00000 0.36000 0.66000 0.00000 -0.38000 0.00000 -1.70000 0.00000 2.38000 67.00000 BUD14_1SEM-1_18.PDB 4.80682 -11.91000 -1.34000 -2.05000 -10.31000 -1.66000 8.15000 -14.65000 2.44000 6.01000 2.69000 0.00000 0.00000 0.00000 0.37000 0.51000 0.00000 -0.21000 0.00000 -1.35000 0.00000 2.38000 67.00000 BUD14_1SEM-1_19.PDB 5.50541 -11.39000 -2.04000 -2.87000 -10.13000 -1.47000 9.18000 -13.65000 1.68000 6.11000 3.25000 0.00000 0.00000 0.00000 0.46000 0.53000 0.00000 -0.48000 0.00000 -1.42000 0.00000 2.38000 67.00000 BUD14_1SEM-1_20.PDB 5.90326 -11.52000 -1.39000 -2.26000 -10.49000 -2.02000 8.56000 -14.62000 2.24000 6.99000 3.11000 0.00000 0.00000 0.00000 0.48000 0.56000 0.00000 -0.66000 0.00000 -1.46000 0.00000 2.38000 67.00000 BUD14_1SEM-1_21.PDB 4.94257 -12.52000 -2.04000 -1.93000 -11.07000 -1.41000 8.41000 -15.80000 1.86000 7.23000 3.41000 0.00000 0.00000 0.00000 0.37000 0.68000 0.00000 -0.33000 0.00000 -1.21000 0.00000 2.38000 67.00000 BUD14_1SEM-1_22.PDB 5.05764 -11.20000 -2.02000 -3.49000 -10.76000 -1.60000 9.35000 -14.96000 2.22000 7.65000 3.70000 0.00000 0.00000 0.00000 0.34000 0.48000 0.00000 -0.33000 0.00000 -1.30000 0.00000 2.38000 67.00000 BUD14_1SEM-1_23.PDB 5.68722 -11.67000 -2.02000 -4.66000 -10.58000 -1.90000 9.96000 -14.12000 2.04000 7.37000 3.41000 0.00000 0.00000 0.00000 0.41000 0.44000 0.00000 -0.33000 0.00000 -1.24000 0.00000 2.38000 67.00000 BUD14_1SEM-1_24.PDB 5.29415 -12.30000 -1.40000 -2.17000 -10.08000 -1.72000 7.90000 -14.31000 1.82000 6.13000 2.97000 0.00000 0.00000 0.00000 0.36000 0.50000 0.00000 -0.27000 0.00000 -1.52000 0.00000 2.38000 67.00000 BUD14_1SEM-1_25.PDB 5.16564 -11.20000 -2.03000 -2.86000 -10.02000 -1.23000 8.97000 -13.59000 1.81000 5.76000 3.39000 0.00000 0.00000 0.00000 0.32000 0.54000 0.00000 -0.52000 0.00000 -1.20000 0.00000 2.38000 67.00000 BUD14_1SEM-1_26.PDB 5.00816 -12.16000 -2.02000 -3.85000 -10.51000 -1.65000 9.19000 -14.13000 2.11000 6.06000 4.29000 0.00000 0.00000 0.00000 0.32000 0.54000 0.00000 -0.64000 0.00000 -1.34000 0.00000 2.38000 67.00000 BUD14_1SEM-1_27.PDB 4.94240 -12.16000 -2.01000 -2.74000 -10.78000 -1.97000 9.31000 -15.05000 1.83000 6.91000 3.69000 0.00000 0.00000 0.00000 0.41000 0.44000 0.00000 -0.29000 0.00000 -1.46000 0.00000 2.38000 67.00000 BUD14_1SEM-1_28.PDB 5.00797 -12.11000 -2.03000 -4.19000 -10.87000 -1.92000 9.91000 -14.94000 2.09000 7.70000 3.57000 0.00000 0.00000 0.00000 0.40000 0.57000 0.00000 -0.50000 0.00000 -1.33000 0.00000 2.38000 67.00000 BUD14_1SEM-1_29.PDB 5.54282 -12.89000 -2.02000 -2.78000 -11.44000 -2.17000 9.77000 -15.72000 1.72000 7.54000 3.75000 0.00000 0.00000 0.00000 0.57000 0.51000 0.00000 -0.36000 0.00000 -1.76000 0.00000 2.38000 67.00000 BUD14_1SEM-1_30.PDB 5.18518 -12.84000 -2.01000 -2.78000 -11.22000 -2.00000 9.92000 -15.35000 1.77000 7.08000 3.33000 0.00000 0.00000 0.00000 0.38000 0.49000 0.00000 -0.43000 0.00000 -1.54000 0.00000 2.38000 67.00000