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-11_1.PDB 3.15671 -5.10000 -0.99000 -0.90000 -7.61000 -0.63000 5.42000 -10.66000 2.14000 4.82000 3.89000 0.00000 0.00000 0.00000 0.14000 0.91000 0.00000 -0.44000 0.00000 -0.28000 0.00000 2.38000 64.00000 BUD14_1SEM-11_2.PDB 2.26207 -5.10000 -0.77000 -0.66000 -7.79000 -0.51000 5.78000 -10.89000 2.47000 4.07000 3.84000 0.00000 0.00000 0.00000 0.23000 1.01000 0.00000 -0.64000 0.00000 -0.24000 0.00000 2.38000 64.00000 BUD14_1SEM-11_3.PDB 3.02263 -6.27000 -0.93000 -0.81000 -7.71000 -0.45000 6.20000 -10.60000 1.22000 4.01000 3.37000 0.00000 0.00000 0.00000 0.19000 0.80000 0.00000 -0.45000 0.00000 -0.31000 0.00000 2.38000 64.00000 BUD14_1SEM-11_4.PDB 3.34146 -5.84000 -0.57000 -0.45000 -7.66000 -0.65000 5.38000 -10.94000 1.33000 4.59000 3.39000 0.00000 0.00000 0.00000 0.30000 0.89000 0.00000 -0.20000 0.00000 -0.37000 0.00000 2.38000 64.00000 BUD14_1SEM-11_5.PDB 2.50680 -5.02000 -0.12000 0.00000 -7.05000 -0.23000 4.48000 -10.31000 1.68000 3.59000 3.27000 0.00000 0.00000 0.00000 0.10000 0.74000 0.00000 -0.13000 0.00000 -0.32000 0.00000 2.38000 64.00000 BUD14_1SEM-11_6.PDB 2.73466 -6.51000 -1.62000 -1.54000 -8.73000 -0.50000 7.01000 -11.72000 1.46000 5.63000 4.25000 0.00000 0.00000 0.00000 0.16000 0.84000 0.00000 -0.56000 0.00000 -0.34000 0.00000 2.38000 64.00000 BUD14_1SEM-11_7.PDB 2.40174 -4.77000 -1.00000 -2.16000 -7.88000 -0.39000 5.93000 -10.85000 2.61000 5.95000 3.38000 0.00000 0.00000 0.00000 0.34000 0.98000 0.00000 -0.35000 0.00000 -0.34000 0.00000 2.38000 64.00000 BUD14_1SEM-11_8.PDB 4.36200 -4.11000 -0.97000 -2.29000 -7.97000 -0.26000 6.00000 -10.99000 2.72000 5.53000 3.82000 0.00000 0.00000 0.00000 0.66000 1.07000 0.00000 -0.16000 0.00000 -0.22000 0.00000 2.38000 64.00000 BUD14_1SEM-11_9.PDB 3.09343 -5.20000 -0.93000 -2.33000 -7.74000 -0.35000 6.80000 -10.28000 1.92000 4.74000 3.55000 0.00000 0.00000 0.00000 0.23000 0.58000 0.00000 -0.32000 0.00000 -0.49000 0.00000 2.38000 64.00000 BUD14_1SEM-11_10.PDB 2.47142 -4.93000 -0.99000 -2.63000 -7.36000 -0.29000 5.83000 -10.16000 1.95000 5.60000 3.34000 0.00000 0.00000 0.00000 0.30000 0.76000 0.00000 -0.25000 0.00000 -0.27000 0.00000 2.38000 64.00000 BUD14_1SEM-11_11.PDB 3.39775 -5.05000 -0.12000 0.00000 -6.48000 -0.17000 3.71000 -9.68000 1.39000 3.37000 3.11000 0.00000 0.00000 0.00000 0.30000 1.04000 0.00000 -0.35000 0.00000 -0.14000 0.00000 2.38000 64.00000 BUD14_1SEM-11_12.PDB 3.47758 -4.50000 -0.98000 -2.66000 -7.67000 -0.41000 6.05000 -10.47000 2.67000 5.53000 3.61000 0.00000 0.00000 0.00000 0.56000 0.99000 0.00000 -0.32000 0.00000 -0.41000 0.00000 2.38000 64.00000 BUD14_1SEM-11_13.PDB 3.47833 -4.37000 -0.11000 -1.06000 -7.24000 -0.14000 5.08000 -10.43000 1.80000 4.02000 3.53000 0.00000 0.00000 0.00000 0.37000 0.74000 0.00000 -0.09000 0.00000 -0.09000 0.00000 2.38000 64.00000 BUD14_1SEM-11_14.PDB 2.68596 -7.37000 -0.11000 0.00000 -7.77000 -0.32000 4.41000 -11.74000 1.56000 4.00000 3.13000 0.00000 0.00000 0.00000 0.17000 0.92000 0.00000 -0.40000 0.00000 -0.28000 0.00000 2.38000 64.00000 BUD14_1SEM-11_15.PDB 3.03631 -2.91000 -0.14000 0.00000 -7.47000 -0.42000 5.69000 -10.29000 2.78000 3.64000 3.54000 0.00000 0.00000 0.00000 0.23000 0.73000 0.00000 -0.15000 0.00000 -0.31000 0.00000 2.38000 64.00000 BUD14_1SEM-11_16.PDB 2.41509 -7.71000 -0.99000 -0.91000 -8.78000 -0.67000 5.85000 -12.57000 1.24000 5.71000 3.84000 0.00000 0.00000 0.00000 0.14000 0.91000 0.00000 -0.16000 0.00000 -0.42000 0.00000 2.38000 64.00000 BUD14_1SEM-11_17.PDB 2.59611 -4.08000 -1.01000 -0.87000 -6.90000 -0.53000 5.26000 -9.46000 1.86000 4.39000 3.15000 0.00000 0.00000 0.00000 0.29000 1.11000 0.00000 -0.08000 0.00000 -0.18000 0.00000 2.38000 64.00000 BUD14_1SEM-11_18.PDB 2.50056 -4.79000 -0.12000 0.00000 -5.98000 -0.06000 3.69000 -8.88000 1.25000 2.92000 2.36000 0.00000 0.00000 0.00000 0.25000 0.93000 0.00000 -0.14000 0.00000 -0.09000 0.00000 2.38000 64.00000 BUD14_1SEM-11_19.PDB 2.34733 -6.25000 -0.11000 0.00000 -6.76000 -0.42000 4.24000 -10.06000 0.82000 3.74000 2.73000 0.00000 0.00000 0.00000 0.18000 0.91000 0.00000 -0.13000 0.00000 -0.47000 0.00000 2.38000 64.00000 BUD14_1SEM-11_20.PDB 1.68534 -6.27000 -0.98000 -0.88000 -7.75000 -0.68000 5.56000 -11.03000 1.51000 5.21000 3.52000 0.00000 0.00000 0.00000 0.14000 0.92000 0.00000 -0.45000 0.00000 -0.43000 0.00000 2.38000 64.00000 BUD14_1SEM-11_21.PDB 2.41148 -3.92000 -0.11000 0.00000 -6.59000 -0.38000 4.56000 -9.47000 2.17000 3.24000 2.69000 0.00000 0.00000 0.00000 0.29000 1.06000 0.00000 -0.12000 0.00000 -0.21000 0.00000 2.38000 64.00000 BUD14_1SEM-11_22.PDB 1.89326 -6.47000 -1.73000 -1.64000 -8.39000 -1.26000 7.53000 -11.70000 2.27000 5.83000 3.36000 0.00000 0.00000 0.00000 0.26000 1.19000 0.00000 -0.47000 0.00000 -0.53000 0.00000 2.38000 64.00000 BUD14_1SEM-11_23.PDB 1.83500 -5.44000 -0.97000 -0.89000 -7.57000 -0.30000 4.68000 -11.02000 1.49000 5.31000 4.03000 0.00000 0.00000 0.00000 0.28000 0.92000 0.00000 -0.21000 0.00000 -0.27000 0.00000 2.38000 64.00000 BUD14_1SEM-11_24.PDB 3.47310 -4.89000 -0.82000 -2.44000 -7.24000 -0.21000 6.08000 -9.82000 2.06000 4.64000 3.50000 0.00000 0.00000 0.00000 0.35000 0.72000 0.00000 -0.69000 0.00000 -0.30000 0.00000 2.38000 64.00000 BUD14_1SEM-11_25.PDB 3.14582 -7.64000 -0.10000 0.00000 -7.76000 -0.22000 4.47000 -11.55000 0.79000 3.84000 3.14000 0.00000 0.00000 0.00000 0.18000 0.95000 0.00000 -0.13000 0.00000 -0.31000 0.00000 2.38000 64.00000 BUD14_1SEM-11_26.PDB 2.09132 -2.40000 -1.00000 -0.86000 -6.73000 -0.69000 5.61000 -9.17000 4.32000 4.41000 2.61000 0.00000 0.00000 0.00000 0.18000 1.07000 0.00000 -0.55000 0.00000 -0.52000 0.00000 2.38000 64.00000 BUD14_1SEM-11_27.PDB 2.26303 -6.84000 -0.99000 -0.88000 -8.39000 -0.66000 5.83000 -11.98000 1.34000 5.59000 3.73000 0.00000 0.00000 0.00000 0.14000 0.96000 0.00000 -0.08000 0.00000 -0.48000 0.00000 2.38000 64.00000 BUD14_1SEM-11_28.PDB 2.37246 -7.33000 -0.98000 -0.85000 -8.38000 -0.96000 6.08000 -11.91000 1.23000 6.02000 3.38000 0.00000 0.00000 0.00000 0.12000 0.92000 0.00000 -0.28000 0.00000 -0.80000 0.00000 2.38000 64.00000 BUD14_1SEM-11_29.PDB 2.88034 -3.47000 -0.91000 -0.77000 -6.77000 -0.39000 5.81000 -9.10000 2.62000 3.60000 2.95000 0.00000 0.00000 0.00000 0.22000 0.70000 0.00000 -0.40000 0.00000 -0.34000 0.00000 2.38000 64.00000 BUD14_1SEM-11_30.PDB 2.99938 -5.98000 -1.00000 -0.85000 -7.26000 -0.67000 5.12000 -10.18000 1.64000 4.75000 3.03000 0.00000 0.00000 0.00000 0.16000 0.89000 0.00000 -0.16000 0.00000 -0.55000 0.00000 2.38000 64.00000