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 BBC1_1FYN-8_1.PDB 4.53022 -9.46000 -0.56000 -0.51000 -7.22000 -0.39000 4.62000 -10.71000 0.95000 3.52000 1.55000 0.00000 0.00000 0.00000 0.20000 0.48000 0.00000 -0.48000 0.00000 -0.44000 0.00000 2.38000 68.00000 BBC1_1FYN-8_2.PDB 4.63866 -10.28000 -0.55000 -0.51000 -7.03000 -0.38000 3.97000 -10.44000 0.61000 3.19000 1.41000 0.00000 0.00000 0.00000 0.21000 0.43000 0.00000 -0.30000 0.00000 -0.44000 0.00000 2.38000 68.00000 BBC1_1FYN-8_3.PDB 4.75797 -9.91000 -0.34000 -0.29000 -7.42000 -0.40000 4.54000 -11.15000 0.82000 3.55000 1.58000 0.00000 0.00000 0.00000 0.22000 0.50000 0.00000 -0.58000 0.00000 -0.45000 0.00000 2.38000 68.00000 BBC1_1FYN-8_4.PDB 4.48045 -10.14000 -0.55000 -0.51000 -7.24000 -0.43000 4.25000 -10.85000 0.79000 3.40000 1.47000 0.00000 0.00000 0.00000 0.21000 0.42000 0.00000 -0.18000 0.00000 -0.48000 0.00000 2.38000 68.00000 BBC1_1FYN-8_5.PDB 5.02636 -9.74000 -0.55000 -0.51000 -7.57000 -0.37000 4.83000 -11.22000 0.66000 3.56000 2.15000 0.00000 0.00000 0.00000 0.26000 0.52000 0.00000 -0.56000 0.00000 -0.42000 0.00000 2.38000 68.00000 BBC1_1FYN-8_6.PDB 6.99362 -9.18000 -0.56000 -0.53000 -7.25000 -0.39000 5.06000 -10.71000 0.71000 3.52000 1.67000 0.00000 0.00000 0.00000 0.34000 0.48000 0.00000 -0.62000 0.00000 -0.43000 0.00000 2.38000 68.00000 BBC1_1FYN-8_7.PDB 4.49061 -9.04000 -0.56000 -0.51000 -7.26000 -0.33000 4.79000 -10.72000 1.14000 3.47000 1.65000 0.00000 0.00000 0.00000 0.24000 0.47000 0.00000 -0.56000 0.00000 -0.40000 0.00000 2.38000 68.00000 BBC1_1FYN-8_8.PDB 6.69909 -10.36000 -0.56000 -0.52000 -7.45000 -0.42000 4.24000 -10.97000 0.90000 3.51000 1.60000 0.00000 0.00000 0.00000 0.21000 0.47000 0.00000 -0.43000 0.00000 -0.46000 0.00000 2.38000 68.00000 BBC1_1FYN-8_9.PDB 6.41635 -9.92000 -0.46000 -0.49000 -7.44000 -0.41000 4.74000 -11.06000 0.67000 3.37000 1.57000 0.00000 0.00000 0.00000 0.35000 0.44000 0.00000 -0.31000 0.00000 -0.45000 0.00000 2.38000 68.00000 BBC1_1FYN-8_10.PDB 7.52721 -9.69000 -0.62000 -0.54000 -7.68000 -0.36000 5.16000 -11.39000 0.72000 3.72000 1.55000 0.00000 0.00000 0.00000 0.66000 0.54000 0.00000 -0.52000 0.00000 -0.40000 0.00000 2.38000 68.00000 BBC1_1FYN-8_11.PDB 6.81538 -9.66000 -0.56000 -0.51000 -7.09000 -0.37000 4.35000 -10.54000 0.84000 3.24000 1.54000 0.00000 0.00000 0.00000 0.20000 0.41000 0.00000 -0.34000 0.00000 -0.43000 0.00000 2.38000 68.00000 BBC1_1FYN-8_12.PDB 4.64609 -9.81000 -0.56000 -0.51000 -7.39000 -0.33000 4.89000 -11.18000 0.67000 3.53000 1.63000 0.00000 0.00000 0.00000 0.36000 0.51000 0.00000 -0.53000 0.00000 -0.39000 0.00000 2.38000 68.00000 BBC1_1FYN-8_13.PDB 4.55549 -9.08000 -0.56000 -0.51000 -7.03000 -0.39000 4.62000 -10.34000 0.74000 3.47000 1.70000 0.00000 0.00000 0.00000 0.26000 0.50000 0.00000 -0.61000 0.00000 -0.45000 0.00000 2.38000 68.00000 BBC1_1FYN-8_14.PDB 7.75679 -9.49000 -0.60000 -0.51000 -7.34000 -0.39000 4.61000 -10.72000 0.75000 3.44000 1.48000 0.00000 0.00000 0.00000 0.57000 0.47000 0.00000 -0.36000 0.00000 -0.42000 0.00000 2.38000 68.00000 BBC1_1FYN-8_15.PDB 4.62432 -10.31000 -0.56000 -0.51000 -7.53000 -0.40000 4.70000 -11.35000 0.74000 3.60000 1.76000 0.00000 0.00000 0.00000 0.22000 0.54000 0.00000 -0.53000 0.00000 -0.45000 0.00000 2.38000 68.00000 BBC1_1FYN-8_16.PDB 4.71079 -9.86000 -0.55000 -0.52000 -7.09000 -0.43000 4.16000 -10.52000 0.70000 3.25000 1.62000 0.00000 0.00000 0.00000 0.25000 0.45000 0.00000 -0.22000 0.00000 -0.48000 0.00000 2.38000 68.00000 BBC1_1FYN-8_17.PDB 4.65588 -9.51000 -0.56000 -0.51000 -6.94000 -0.36000 4.28000 -10.52000 0.77000 3.11000 1.44000 0.00000 0.00000 0.00000 0.36000 0.42000 0.00000 -0.17000 0.00000 -0.40000 0.00000 2.38000 68.00000 BBC1_1FYN-8_18.PDB 4.56912 -9.98000 -0.55000 -0.51000 -7.50000 -0.35000 4.85000 -11.22000 0.83000 3.54000 1.70000 0.00000 0.00000 0.00000 0.22000 0.50000 0.00000 -0.57000 0.00000 -0.41000 0.00000 2.38000 68.00000 BBC1_1FYN-8_19.PDB 4.73355 -9.82000 -0.55000 -0.51000 -7.46000 -0.41000 5.05000 -11.18000 0.75000 3.60000 1.52000 0.00000 0.00000 0.00000 0.34000 0.51000 0.00000 -0.51000 0.00000 -0.44000 0.00000 2.38000 68.00000 BBC1_1FYN-8_20.PDB 4.80734 -9.96000 -0.56000 -0.51000 -6.98000 -0.37000 4.06000 -10.55000 0.73000 3.11000 1.55000 0.00000 0.00000 0.00000 0.21000 0.44000 0.00000 -0.23000 0.00000 -0.43000 0.00000 2.38000 68.00000 BBC1_1FYN-8_21.PDB 4.61948 -10.49000 -0.56000 -0.53000 -7.77000 -0.40000 4.95000 -11.64000 0.93000 3.61000 1.80000 0.00000 0.00000 0.00000 0.21000 0.55000 0.00000 -0.64000 0.00000 -0.46000 0.00000 2.38000 68.00000 BBC1_1FYN-8_22.PDB 4.52620 -10.20000 -0.55000 -0.51000 -7.21000 -0.33000 4.23000 -10.88000 0.78000 3.22000 1.51000 0.00000 0.00000 0.00000 0.21000 0.45000 0.00000 -0.27000 0.00000 -0.39000 0.00000 2.38000 68.00000 BBC1_1FYN-8_23.PDB 4.69343 -9.49000 -0.56000 -0.51000 -7.13000 -0.37000 4.48000 -10.75000 0.84000 3.26000 1.67000 0.00000 0.00000 0.00000 0.32000 0.42000 0.00000 -0.31000 0.00000 -0.41000 0.00000 2.38000 68.00000 BBC1_1FYN-8_24.PDB 6.52048 -10.05000 -0.55000 -1.30000 -7.62000 -0.77000 5.39000 -11.15000 0.87000 4.27000 2.14000 0.00000 0.00000 0.00000 0.20000 0.47000 0.00000 -0.67000 0.00000 -0.86000 0.00000 2.38000 68.00000 BBC1_1FYN-8_25.PDB 4.79139 -9.76000 -0.34000 -0.32000 -7.27000 -0.42000 4.24000 -10.85000 0.81000 3.26000 1.66000 0.00000 0.00000 0.00000 0.24000 0.45000 0.00000 -0.31000 0.00000 -0.47000 0.00000 2.38000 68.00000 BBC1_1FYN-8_26.PDB 4.62807 -10.49000 -0.56000 -1.30000 -7.38000 -0.80000 4.68000 -10.94000 0.76000 4.14000 2.02000 0.00000 0.00000 0.00000 0.22000 0.43000 0.00000 -0.48000 0.00000 -0.87000 0.00000 2.38000 68.00000 BBC1_1FYN-8_27.PDB 4.90995 -9.24000 -0.56000 -0.51000 -7.49000 -0.40000 5.28000 -11.06000 0.80000 3.55000 1.90000 0.00000 0.00000 0.00000 0.36000 0.49000 0.00000 -0.66000 0.00000 -0.45000 0.00000 2.38000 68.00000 BBC1_1FYN-8_28.PDB 6.78749 -8.51000 -0.55000 -0.53000 -7.43000 -0.39000 5.47000 -10.88000 0.96000 3.61000 1.86000 0.00000 0.00000 0.00000 0.37000 0.49000 0.00000 -0.55000 0.00000 -0.44000 0.00000 2.38000 68.00000 BBC1_1FYN-8_29.PDB 4.58422 -10.27000 -0.56000 -1.25000 -7.68000 -0.78000 5.33000 -11.41000 0.94000 4.25000 2.12000 0.00000 0.00000 0.00000 0.22000 0.48000 0.00000 -0.59000 0.00000 -0.85000 0.00000 2.38000 68.00000 BBC1_1FYN-8_30.PDB 4.48405 -8.89000 -0.55000 -0.51000 -6.66000 -0.39000 4.24000 -9.89000 0.63000 3.05000 1.66000 0.00000 0.00000 0.00000 0.34000 0.43000 0.00000 -0.40000 0.00000 -0.42000 0.00000 2.38000 68.00000