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 PIN3_1ZX6-28_1.PDB 1.46223 -8.71000 -2.32000 -2.12000 -9.73000 -0.25000 9.13000 -12.89000 2.23000 5.53000 2.75000 0.00000 0.00000 0.00000 0.11000 1.54000 0.00000 -0.89000 0.00000 -0.24000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_2.PDB 3.55145 -6.72000 -3.72000 -4.05000 -10.71000 -1.98000 11.95000 -12.80000 8.37000 6.88000 1.89000 0.00000 0.00000 0.00000 0.28000 1.46000 0.00000 -1.77000 0.00000 -1.05000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_3.PDB 2.31940 -11.62000 -3.45000 -4.85000 -10.88000 -1.66000 12.22000 -13.09000 3.53000 6.98000 1.97000 0.00000 0.00000 0.00000 0.10000 1.56000 0.00000 -1.61000 0.00000 -0.89000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_4.PDB 1.29585 -8.77000 -0.55000 -1.87000 -9.00000 -0.55000 7.54000 -12.75000 1.43000 5.52000 2.68000 0.00000 0.00000 0.00000 0.05000 1.40000 0.00000 -0.96000 0.00000 -0.33000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_5.PDB 3.44419 -0.71000 -1.99000 -1.80000 -8.26000 -0.63000 8.24000 -10.50000 8.87000 4.67000 1.92000 0.00000 0.00000 0.00000 0.07000 1.25000 0.00000 -0.97000 0.00000 -0.33000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_6.PDB 2.62873 -12.10000 -2.53000 -2.46000 -10.20000 -0.88000 9.62000 -13.37000 1.48000 5.81000 2.14000 0.00000 0.00000 0.00000 0.25000 1.64000 0.00000 -1.12000 0.00000 -0.84000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_7.PDB 2.57744 -9.46000 -3.14000 -2.91000 -10.03000 -0.40000 10.16000 -12.53000 1.76000 6.18000 2.69000 0.00000 0.00000 0.00000 0.10000 1.60000 0.00000 -1.01000 0.00000 -0.32000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_8.PDB 2.56585 -10.74000 -2.50000 -2.43000 -9.80000 -0.09000 8.92000 -13.13000 1.57000 5.34000 2.04000 0.00000 0.00000 0.00000 0.33000 1.66000 0.00000 -0.91000 0.00000 -0.08000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_9.PDB 4.64104 -9.94000 -2.50000 -2.45000 -9.08000 -0.14000 8.56000 -12.00000 1.92000 4.65000 1.94000 0.00000 0.00000 0.00000 0.38000 1.55000 0.00000 -1.07000 0.00000 -0.13000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_10.PDB 4.12057 -12.62000 -3.80000 -5.01000 -10.83000 -1.80000 12.52000 -12.79000 2.64000 6.80000 1.71000 0.00000 0.00000 0.00000 0.42000 1.66000 0.00000 -1.49000 0.00000 -1.00000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_11.PDB 2.27133 -8.13000 -2.19000 -2.13000 -9.93000 -0.52000 9.47000 -13.09000 3.63000 5.79000 1.94000 0.00000 0.00000 0.00000 0.16000 1.57000 0.00000 -1.14000 0.00000 -0.11000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_12.PDB 2.71988 -11.52000 -2.38000 -2.16000 -10.19000 -0.52000 9.17000 -13.73000 1.45000 5.48000 2.47000 0.00000 0.00000 0.00000 0.31000 1.49000 0.00000 -0.97000 0.00000 -0.45000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_13.PDB 5.02504 -7.20000 -2.37000 -2.14000 -9.04000 -0.13000 8.56000 -11.80000 3.83000 4.71000 2.09000 0.00000 0.00000 0.00000 0.10000 1.41000 0.00000 -0.96000 0.00000 -0.03000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_14.PDB 3.03606 -10.70000 -3.97000 -3.92000 -10.03000 -0.55000 10.71000 -12.28000 1.80000 6.32000 2.29000 0.00000 0.00000 0.00000 0.24000 1.67000 0.00000 -0.91000 0.00000 -0.42000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_15.PDB 2.10098 -8.44000 -2.44000 -2.36000 -10.15000 -0.60000 9.73000 -13.26000 3.79000 5.98000 1.73000 0.00000 0.00000 0.00000 0.15000 1.63000 0.00000 -0.54000 0.00000 -0.46000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_16.PDB 3.25798 -9.53000 -3.43000 -3.36000 -9.65000 -0.50000 9.94000 -11.85000 1.95000 6.15000 2.35000 0.00000 0.00000 0.00000 0.61000 1.63000 0.00000 -1.33000 0.00000 -0.41000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_17.PDB 2.31057 -8.06000 -2.16000 -2.13000 -9.68000 -0.12000 8.82000 -12.97000 3.56000 5.43000 1.95000 0.00000 0.00000 0.00000 0.24000 1.56000 0.00000 -0.97000 0.00000 -0.02000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_18.PDB 3.04080 -10.53000 -2.12000 -2.04000 -10.96000 -0.86000 9.80000 -14.69000 1.60000 7.10000 2.79000 0.00000 0.00000 0.00000 0.18000 1.78000 0.00000 -0.89000 0.00000 -0.45000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_19.PDB 2.21495 -9.18000 -2.52000 -2.45000 -9.88000 -0.13000 9.16000 -13.14000 3.64000 5.11000 1.87000 0.00000 0.00000 0.00000 0.18000 1.58000 0.00000 -0.99000 0.00000 -0.04000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_20.PDB 2.51146 -6.72000 -2.22000 -1.99000 -8.97000 -0.12000 8.57000 -11.79000 3.83000 4.96000 1.75000 0.00000 0.00000 0.00000 0.06000 1.53000 0.00000 -0.78000 0.00000 -0.02000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_21.PDB 2.78862 -10.72000 -3.22000 -5.38000 -11.33000 -1.13000 11.63000 -14.32000 4.41000 7.12000 2.93000 0.00000 0.00000 0.00000 0.18000 1.67000 0.00000 -1.00000 0.00000 -0.61000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_22.PDB 3.19711 -10.36000 -2.51000 -2.45000 -9.71000 -0.10000 9.00000 -13.01000 1.83000 5.22000 2.18000 0.00000 0.00000 0.00000 0.36000 1.68000 0.00000 -1.12000 0.00000 -0.06000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_23.PDB 2.85178 -10.44000 -4.01000 -3.97000 -9.48000 -0.66000 10.59000 -11.59000 1.72000 6.04000 2.28000 0.00000 0.00000 0.00000 0.26000 1.69000 0.00000 -1.06000 0.00000 -0.55000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_24.PDB 2.22062 -7.99000 -2.12000 -1.89000 -9.70000 -0.65000 9.82000 -12.56000 1.33000 5.99000 2.72000 0.00000 0.00000 0.00000 0.18000 1.76000 0.00000 -0.80000 0.00000 -0.31000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_25.PDB 3.55058 -7.64000 -2.34000 -2.26000 -9.26000 -0.26000 8.74000 -12.19000 3.80000 5.01000 1.89000 0.00000 0.00000 0.00000 0.17000 1.45000 0.00000 -0.75000 0.00000 -0.20000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_26.PDB 2.90114 -10.06000 -2.49000 -2.44000 -9.58000 -0.10000 8.87000 -12.70000 2.06000 5.06000 1.90000 0.00000 0.00000 0.00000 0.31000 1.45000 0.00000 -0.94000 0.00000 -0.02000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_27.PDB 3.16864 -9.95000 -2.54000 -2.45000 -9.64000 -0.40000 9.40000 -12.25000 1.77000 4.88000 2.13000 0.00000 0.00000 0.00000 0.25000 1.77000 0.00000 -0.78000 0.00000 -0.33000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_28.PDB 1.45419 -10.19000 -2.60000 -2.47000 -10.65000 -0.10000 9.21000 -14.92000 3.65000 5.99000 2.61000 0.00000 0.00000 0.00000 0.18000 1.73000 0.00000 -0.99000 0.00000 -0.10000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_29.PDB 3.21799 -8.19000 -2.36000 -2.15000 -9.21000 -0.10000 8.57000 -12.08000 3.50000 4.63000 1.84000 0.00000 0.00000 0.00000 0.17000 1.48000 0.00000 -0.96000 0.00000 -0.03000 0.00000 2.38000 66.00000 PIN3_1ZX6-28_30.PDB 1.68457 -6.98000 -2.34000 -2.29000 -9.77000 -0.18000 9.35000 -12.83000 4.09000 5.32000 2.63000 0.00000 0.00000 0.00000 0.06000 1.66000 0.00000 -0.88000 0.00000 -0.12000 0.00000 2.38000 66.00000