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-7_1.PDB 3.81698 -7.43000 -0.44000 -0.35000 -5.89000 -0.21000 4.34000 -8.58000 0.27000 2.56000 0.99000 0.00000 0.00000 0.00000 0.03000 0.24000 0.00000 -0.03000 0.00000 -0.12000 0.00000 2.38000 68.00000 BBC1_1FYN-7_2.PDB 3.96622 -8.23000 -0.45000 -1.75000 -6.34000 -0.36000 4.78000 -9.11000 0.26000 3.86000 1.20000 0.00000 0.00000 0.00000 0.03000 0.25000 0.00000 -0.04000 0.00000 -0.31000 0.00000 2.38000 68.00000 BBC1_1FYN-7_3.PDB 4.46161 -8.35000 -0.45000 -1.73000 -6.89000 -0.19000 5.21000 -10.05000 0.27000 4.22000 1.39000 0.00000 0.00000 0.00000 0.03000 0.25000 0.00000 -0.06000 0.00000 -0.10000 0.00000 2.38000 68.00000 BBC1_1FYN-7_4.PDB 4.32876 -8.72000 -0.39000 -1.75000 -6.56000 -0.38000 4.82000 -9.71000 0.19000 4.07000 1.32000 0.00000 0.00000 0.00000 0.03000 0.27000 0.00000 -0.08000 0.00000 -0.26000 0.00000 2.38000 68.00000 BBC1_1FYN-7_5.PDB 3.87720 -7.58000 -0.42000 -1.85000 -6.23000 -0.28000 4.87000 -8.84000 0.20000 3.79000 1.43000 0.00000 0.00000 0.00000 0.03000 0.30000 0.00000 -0.07000 0.00000 -0.21000 0.00000 2.38000 68.00000 BBC1_1FYN-7_6.PDB 4.59931 -8.50000 -0.45000 -1.75000 -7.00000 -0.29000 5.15000 -10.24000 0.25000 4.27000 1.81000 0.00000 0.00000 0.00000 0.03000 0.25000 0.00000 -0.06000 0.00000 -0.22000 0.00000 2.38000 68.00000 BBC1_1FYN-7_7.PDB 5.12922 -8.66000 -0.42000 -1.86000 -7.16000 -0.34000 5.20000 -10.32000 0.36000 4.40000 1.80000 0.00000 0.00000 0.00000 0.05000 0.25000 0.00000 -0.10000 0.00000 -0.27000 0.00000 2.38000 68.00000 BBC1_1FYN-7_8.PDB 7.83823 -8.63000 -0.39000 -0.39000 -6.93000 -0.20000 4.67000 -10.34000 0.68000 3.14000 1.33000 0.00000 0.00000 0.00000 0.03000 0.22000 0.00000 -0.10000 0.00000 -0.13000 0.00000 2.38000 68.00000 BBC1_1FYN-7_9.PDB 4.67012 -8.77000 -0.41000 -1.85000 -7.31000 -0.25000 5.13000 -10.63000 0.79000 4.22000 1.80000 0.00000 0.00000 0.00000 0.03000 0.27000 0.00000 -0.13000 0.00000 -0.18000 0.00000 2.38000 68.00000 BBC1_1FYN-7_10.PDB 3.99542 -8.09000 -0.44000 -0.35000 -6.62000 -0.17000 4.70000 -9.59000 0.19000 3.03000 1.28000 0.00000 0.00000 0.00000 0.04000 0.31000 0.00000 -0.06000 0.00000 -0.11000 0.00000 2.38000 68.00000 BBC1_1FYN-7_11.PDB 4.01186 -8.29000 -0.45000 -0.35000 -6.72000 -0.35000 4.74000 -9.74000 0.18000 3.04000 1.68000 0.00000 0.00000 0.00000 0.03000 0.41000 0.00000 -0.05000 0.00000 -0.29000 0.00000 2.38000 68.00000 BBC1_1FYN-7_12.PDB 3.71941 -7.18000 -0.44000 -0.35000 -6.21000 -0.15000 4.85000 -8.91000 0.38000 2.75000 1.06000 0.00000 0.00000 0.00000 0.03000 0.28000 0.00000 -0.06000 0.00000 -0.12000 0.00000 2.38000 68.00000 BBC1_1FYN-7_13.PDB 3.83183 -7.83000 -0.44000 -1.77000 -6.20000 -0.32000 4.90000 -8.84000 0.22000 3.90000 1.11000 0.00000 0.00000 0.00000 0.03000 0.24000 0.00000 -0.11000 0.00000 -0.31000 0.00000 2.38000 68.00000 BBC1_1FYN-7_14.PDB 4.22057 -7.76000 -0.44000 -1.77000 -6.06000 -0.54000 4.84000 -8.64000 0.16000 3.70000 1.51000 0.00000 0.00000 0.00000 0.02000 0.26000 0.00000 -0.05000 0.00000 -0.50000 0.00000 2.38000 68.00000 BBC1_1FYN-7_15.PDB 4.11971 -7.16000 -0.39000 -1.89000 -5.95000 -0.39000 4.94000 -8.45000 0.24000 3.77000 1.36000 0.00000 0.00000 0.00000 0.02000 0.29000 0.00000 -0.18000 0.00000 -0.25000 0.00000 2.38000 68.00000 BBC1_1FYN-7_16.PDB 4.38004 -8.72000 -0.46000 -0.36000 -7.41000 -0.20000 5.15000 -10.93000 0.45000 3.53000 1.67000 0.00000 0.00000 0.00000 0.03000 0.30000 0.00000 -0.06000 0.00000 -0.12000 0.00000 2.38000 68.00000 BBC1_1FYN-7_17.PDB 4.48763 -9.21000 -0.44000 -0.34000 -7.54000 -0.34000 5.19000 -11.15000 0.25000 3.50000 1.99000 0.00000 0.00000 0.00000 0.04000 0.45000 0.00000 -0.09000 0.00000 -0.28000 0.00000 2.38000 68.00000 BBC1_1FYN-7_18.PDB 4.09450 -6.97000 -0.42000 -0.33000 -5.95000 -0.25000 4.64000 -8.58000 0.18000 2.50000 1.41000 0.00000 0.00000 0.00000 0.04000 0.24000 0.00000 -0.05000 0.00000 -0.17000 0.00000 2.38000 68.00000 BBC1_1FYN-7_19.PDB 4.17892 -7.49000 -0.45000 -1.71000 -6.06000 -0.47000 4.87000 -8.64000 0.25000 3.58000 1.52000 0.00000 0.00000 0.00000 0.04000 0.26000 0.00000 -0.04000 0.00000 -0.38000 0.00000 2.38000 68.00000 BBC1_1FYN-7_20.PDB 4.45580 -7.92000 -0.46000 -0.37000 -6.90000 -0.16000 5.30000 -10.12000 0.34000 3.17000 1.42000 0.00000 0.00000 0.00000 0.05000 0.22000 0.00000 -0.06000 0.00000 -0.14000 0.00000 2.38000 68.00000 BBC1_1FYN-7_21.PDB 4.42238 -8.55000 -0.40000 -1.66000 -7.04000 -0.34000 5.45000 -10.19000 0.34000 4.28000 1.46000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.12000 0.00000 -0.35000 0.00000 2.38000 68.00000 BBC1_1FYN-7_22.PDB 4.70329 -8.41000 -0.44000 -1.77000 -7.09000 -0.44000 5.41000 -10.29000 0.30000 4.64000 1.72000 0.00000 0.00000 0.00000 0.03000 0.24000 0.00000 -0.14000 0.00000 -0.32000 0.00000 2.38000 68.00000 BBC1_1FYN-7_23.PDB 3.93503 -7.25000 -0.46000 -1.74000 -6.31000 0.04000 4.84000 -9.02000 0.22000 3.79000 1.12000 0.00000 0.00000 0.00000 0.05000 0.24000 0.00000 -0.06000 0.00000 0.27000 0.00000 2.38000 68.00000 BBC1_1FYN-7_24.PDB 3.70140 -7.69000 -0.44000 -1.73000 -6.46000 -0.15000 4.99000 -9.26000 0.19000 3.67000 1.46000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.06000 0.00000 0.08000 0.00000 2.38000 68.00000 BBC1_1FYN-7_25.PDB 4.79942 -8.17000 -0.46000 -1.90000 -6.44000 -0.55000 5.05000 -9.37000 0.27000 4.23000 1.60000 0.00000 0.00000 0.00000 0.04000 0.30000 0.00000 -0.11000 0.00000 -0.53000 0.00000 2.38000 68.00000 BBC1_1FYN-7_26.PDB 3.23046 -7.46000 -0.42000 -1.94000 -6.25000 -0.23000 5.09000 -8.81000 0.19000 3.96000 1.09000 0.00000 0.00000 0.00000 0.03000 0.29000 0.00000 -0.09000 0.00000 -0.08000 0.00000 2.38000 68.00000 BBC1_1FYN-7_27.PDB 3.83240 -7.45000 -0.45000 -1.86000 -6.14000 -0.35000 4.83000 -8.72000 0.26000 3.89000 1.36000 0.00000 0.00000 0.00000 0.03000 0.27000 0.00000 -0.04000 0.00000 -0.26000 0.00000 2.38000 68.00000 BBC1_1FYN-7_28.PDB 5.63604 -8.23000 -0.42000 -1.91000 -6.82000 -0.66000 5.60000 -9.80000 0.48000 4.12000 1.72000 0.00000 0.00000 0.00000 0.03000 0.25000 0.00000 -0.06000 0.00000 -0.51000 0.00000 2.38000 68.00000 BBC1_1FYN-7_29.PDB 4.39163 -7.86000 -0.41000 -1.84000 -6.85000 -0.31000 5.40000 -9.89000 0.32000 4.32000 1.66000 0.00000 0.00000 0.00000 0.03000 0.23000 0.00000 -0.06000 0.00000 -0.22000 0.00000 2.38000 68.00000 BBC1_1FYN-7_30.PDB 3.86903 -6.98000 -0.40000 -1.73000 -5.39000 -0.33000 4.18000 -7.94000 0.23000 3.46000 1.22000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.07000 0.00000 -0.23000 0.00000 2.38000 68.00000