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-8_1.PDB 2.48400 -6.82000 -0.22000 -2.47000 -8.40000 -0.54000 6.63000 -11.88000 1.76000 5.70000 3.07000 0.00000 0.00000 0.00000 0.20000 0.74000 0.00000 -0.26000 0.00000 -0.42000 0.00000 2.38000 65.00000 BUD14_1SEM-8_2.PDB 3.06790 -7.16000 -0.13000 -2.49000 -8.69000 -0.69000 6.77000 -12.30000 2.50000 5.81000 2.40000 0.00000 0.00000 0.00000 0.33000 0.74000 0.00000 -0.14000 0.00000 -0.52000 0.00000 2.38000 65.00000 BUD14_1SEM-8_3.PDB 2.34893 -6.23000 -0.15000 -2.01000 -7.63000 -0.69000 6.59000 -10.75000 1.63000 5.10000 2.20000 0.00000 0.00000 0.00000 0.22000 0.63000 0.00000 -0.20000 0.00000 -0.53000 0.00000 2.38000 65.00000 BUD14_1SEM-8_4.PDB 3.82712 -6.26000 -1.07000 -0.93000 -8.98000 -0.83000 7.84000 -12.08000 1.68000 5.94000 3.32000 0.00000 0.00000 0.00000 0.35000 0.73000 0.00000 -0.93000 0.00000 -0.58000 0.00000 2.38000 65.00000 BUD14_1SEM-8_5.PDB 3.21906 -7.64000 -0.17000 -2.39000 -8.41000 -0.66000 6.64000 -11.90000 1.72000 5.63000 2.28000 0.00000 0.00000 0.00000 0.19000 0.70000 0.00000 -0.13000 0.00000 -0.45000 0.00000 2.38000 65.00000 BUD14_1SEM-8_6.PDB 2.62900 -4.15000 -0.18000 -0.09000 -7.43000 -0.29000 6.21000 -10.40000 1.31000 4.04000 2.78000 0.00000 0.00000 0.00000 0.31000 0.52000 0.00000 -0.16000 0.00000 -0.27000 0.00000 2.38000 65.00000 BUD14_1SEM-8_7.PDB 2.80578 -7.72000 -0.28000 -0.67000 -8.73000 -0.47000 5.76000 -12.82000 1.52000 5.55000 2.78000 0.00000 0.00000 0.00000 0.14000 0.76000 0.00000 -0.18000 0.00000 -0.32000 0.00000 2.38000 65.00000 BUD14_1SEM-8_8.PDB 3.66351 -7.15000 -0.62000 -0.48000 -9.05000 -0.62000 6.83000 -12.88000 1.64000 5.67000 3.14000 0.00000 0.00000 0.00000 0.19000 0.66000 0.00000 -0.45000 0.00000 -0.52000 0.00000 2.38000 65.00000 BUD14_1SEM-8_9.PDB 2.83911 -7.22000 -0.13000 -0.14000 -8.42000 -0.46000 6.60000 -12.00000 1.30000 4.50000 2.14000 0.00000 0.00000 0.00000 0.19000 0.53000 0.00000 -0.35000 0.00000 -0.45000 0.00000 2.38000 65.00000 BUD14_1SEM-8_10.PDB 2.89365 -7.65000 -0.26000 -2.59000 -8.22000 -0.60000 5.81000 -11.91000 2.11000 5.82000 2.64000 0.00000 0.00000 0.00000 0.14000 0.54000 0.00000 -0.13000 0.00000 -0.45000 0.00000 2.38000 65.00000 BUD14_1SEM-8_11.PDB 2.42862 -6.43000 -0.19000 -1.55000 -7.48000 -0.06000 4.99000 -11.14000 1.62000 4.34000 2.78000 0.00000 0.00000 0.00000 0.19000 0.68000 0.00000 -0.23000 0.00000 0.29000 0.00000 2.38000 65.00000 BUD14_1SEM-8_12.PDB 3.04831 -4.88000 -0.20000 -0.58000 -7.12000 0.17000 5.13000 -10.57000 1.38000 3.60000 2.70000 0.00000 0.00000 0.00000 0.42000 0.77000 0.00000 -0.16000 0.00000 0.35000 0.00000 2.38000 65.00000 BUD14_1SEM-8_13.PDB 2.17971 -5.99000 -0.18000 -0.09000 -8.47000 -0.27000 5.99000 -12.35000 2.16000 4.46000 2.86000 0.00000 0.00000 0.00000 0.23000 0.50000 0.00000 -0.18000 0.00000 -0.14000 0.00000 2.38000 65.00000 BUD14_1SEM-8_14.PDB 4.38890 -8.57000 -0.58000 -2.19000 -9.13000 -0.64000 6.81000 -13.14000 1.57000 6.23000 2.88000 0.00000 0.00000 0.00000 0.35000 0.86000 0.00000 -0.38000 0.00000 -0.37000 0.00000 2.38000 65.00000 BUD14_1SEM-8_15.PDB 2.95980 -7.80000 -0.17000 -1.33000 -8.20000 -0.07000 5.37000 -12.23000 2.11000 4.35000 2.18000 0.00000 0.00000 0.00000 0.28000 0.85000 0.00000 -0.26000 0.00000 0.16000 0.00000 2.38000 65.00000 BUD14_1SEM-8_16.PDB 3.17691 -6.83000 -0.14000 -1.70000 -7.88000 -0.18000 5.27000 -11.75000 2.86000 4.44000 2.14000 0.00000 0.00000 0.00000 0.26000 0.76000 0.00000 -0.28000 0.00000 0.15000 0.00000 2.38000 65.00000 BUD14_1SEM-8_17.PDB 3.20478 -5.71000 -0.23000 -0.57000 -7.76000 0.07000 5.17000 -11.44000 1.80000 4.01000 2.69000 0.00000 0.00000 0.00000 0.43000 0.71000 0.00000 -0.17000 0.00000 0.28000 0.00000 2.38000 65.00000 BUD14_1SEM-8_18.PDB 2.24103 -6.92000 -0.16000 -0.84000 -7.48000 -0.12000 5.14000 -11.14000 1.63000 3.76000 1.98000 0.00000 0.00000 0.00000 0.28000 0.76000 0.00000 -0.20000 0.00000 0.23000 0.00000 2.38000 65.00000 BUD14_1SEM-8_19.PDB 3.25884 -6.45000 -0.72000 -3.02000 -8.79000 -0.70000 7.63000 -11.79000 2.60000 5.67000 3.37000 0.00000 0.00000 0.00000 0.26000 0.66000 0.00000 -0.55000 0.00000 -0.42000 0.00000 2.38000 65.00000 BUD14_1SEM-8_20.PDB 3.54083 -5.47000 -0.24000 -2.58000 -8.14000 -0.57000 6.30000 -11.58000 3.15000 5.67000 2.77000 0.00000 0.00000 0.00000 0.21000 0.68000 0.00000 -0.11000 0.00000 -0.36000 0.00000 2.38000 65.00000 BUD14_1SEM-8_21.PDB 3.05393 -5.22000 -0.22000 -2.69000 -8.10000 -0.63000 6.50000 -11.36000 2.36000 5.54000 3.77000 0.00000 0.00000 0.00000 0.22000 0.57000 0.00000 -0.21000 0.00000 -0.42000 0.00000 2.38000 65.00000 BUD14_1SEM-8_22.PDB 2.58944 -5.59000 -0.28000 -2.16000 -8.07000 -0.57000 6.38000 -11.36000 2.41000 5.42000 3.02000 0.00000 0.00000 0.00000 0.23000 0.61000 0.00000 -0.17000 0.00000 -0.46000 0.00000 2.38000 65.00000 BUD14_1SEM-8_23.PDB 3.07176 -5.65000 -0.26000 -0.69000 -8.62000 -0.42000 6.54000 -12.12000 1.57000 5.00000 3.54000 0.00000 0.00000 0.00000 0.23000 0.48000 0.00000 -0.26000 0.00000 -0.15000 0.00000 2.38000 65.00000 BUD14_1SEM-8_24.PDB 2.56964 -4.71000 -0.29000 -2.63000 -7.33000 -0.65000 6.18000 -10.27000 2.70000 5.27000 2.64000 0.00000 0.00000 0.00000 0.23000 0.56000 0.00000 -0.12000 0.00000 -0.43000 0.00000 2.38000 65.00000 BUD14_1SEM-8_25.PDB 1.88772 -7.16000 -0.19000 -0.10000 -7.88000 0.09000 4.73000 -11.96000 1.45000 3.83000 2.59000 0.00000 0.00000 0.00000 0.19000 0.63000 0.00000 -0.19000 0.00000 0.28000 0.00000 2.38000 65.00000 BUD14_1SEM-8_26.PDB 2.48658 -7.84000 -0.20000 -0.46000 -8.21000 -0.03000 4.91000 -12.50000 1.65000 4.16000 2.50000 0.00000 0.00000 0.00000 0.20000 0.73000 0.00000 -0.16000 0.00000 0.29000 0.00000 2.38000 65.00000 BUD14_1SEM-8_27.PDB 1.94200 -8.24000 -0.26000 -1.68000 -8.02000 -0.04000 4.90000 -12.14000 1.38000 4.76000 2.52000 0.00000 0.00000 0.00000 0.23000 0.69000 0.00000 -0.18000 0.00000 0.29000 0.00000 2.38000 65.00000 BUD14_1SEM-8_28.PDB 2.65751 -6.72000 -0.71000 -1.03000 -8.76000 -0.48000 7.14000 -12.01000 2.70000 4.66000 2.18000 0.00000 0.00000 0.00000 0.33000 0.60000 0.00000 -0.36000 0.00000 -0.37000 0.00000 2.38000 65.00000 BUD14_1SEM-8_29.PDB 2.68725 -6.24000 -0.27000 -1.60000 -7.77000 -0.36000 6.12000 -10.99000 1.43000 4.79000 2.83000 0.00000 0.00000 0.00000 0.18000 0.65000 0.00000 -0.33000 0.00000 -0.27000 0.00000 2.38000 65.00000 BUD14_1SEM-8_30.PDB 2.32331 -4.80000 -0.25000 -0.14000 -7.76000 -0.12000 6.14000 -10.88000 1.25000 3.59000 3.07000 0.00000 0.00000 0.00000 0.39000 0.56000 0.00000 -0.19000 0.00000 0.11000 0.00000 2.38000 65.00000