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_1YNZ-23_1.PDB 2.90847 -5.05000 -0.65000 -0.61000 -6.32000 -0.13000 4.35000 -9.35000 2.97000 3.31000 1.94000 0.00000 0.00000 0.00000 0.13000 0.19000 0.00000 -0.62000 0.00000 -0.06000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_2.PDB 3.05861 -6.02000 -0.65000 -0.61000 -6.57000 -0.13000 4.39000 -9.82000 2.78000 3.47000 1.63000 0.00000 0.00000 0.00000 0.18000 0.37000 0.00000 -0.64000 0.00000 -0.06000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_3.PDB 3.08293 -6.32000 -0.65000 -0.61000 -6.38000 -0.29000 4.41000 -9.39000 2.60000 3.31000 1.65000 0.00000 0.00000 0.00000 0.11000 0.30000 0.00000 -0.80000 0.00000 -0.27000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_4.PDB 2.89643 -5.95000 -0.65000 -0.61000 -6.47000 -0.31000 4.55000 -9.53000 2.71000 3.52000 1.69000 0.00000 0.00000 0.00000 0.08000 0.24000 0.00000 -0.63000 0.00000 -0.30000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_5.PDB 2.87485 -5.48000 -0.65000 -0.61000 -6.32000 -0.18000 4.37000 -9.40000 2.83000 3.35000 1.54000 0.00000 0.00000 0.00000 0.12000 0.22000 0.00000 -0.40000 0.00000 -0.13000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_6.PDB 3.05996 -6.08000 -0.65000 -0.61000 -6.03000 -0.31000 4.24000 -8.94000 2.67000 3.05000 1.40000 0.00000 0.00000 0.00000 0.10000 0.30000 0.00000 -0.70000 0.00000 -0.29000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_7.PDB 2.92228 -5.52000 -0.50000 -1.03000 -6.17000 -0.22000 4.42000 -9.01000 2.69000 3.65000 1.85000 0.00000 0.00000 0.00000 0.10000 0.19000 0.00000 -1.10000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_8.PDB 3.03339 -5.65000 -0.65000 -0.61000 -6.40000 -0.18000 4.43000 -9.46000 2.74000 3.42000 1.67000 0.00000 0.00000 0.00000 0.09000 0.24000 0.00000 -0.59000 0.00000 -0.12000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_9.PDB 2.93047 -5.99000 -0.65000 -0.61000 -6.33000 -0.27000 4.49000 -9.37000 2.70000 3.38000 1.62000 0.00000 0.00000 0.00000 0.13000 0.26000 0.00000 -0.82000 0.00000 -0.25000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_10.PDB 2.88231 -5.48000 -0.65000 -0.92000 -6.23000 -0.97000 4.79000 -8.92000 2.67000 3.85000 1.94000 0.00000 0.00000 0.00000 0.12000 0.18000 0.00000 -0.53000 0.00000 -0.64000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_11.PDB 2.57249 -4.76000 -0.64000 -0.61000 -5.83000 -0.17000 3.86000 -8.63000 2.67000 3.26000 1.80000 0.00000 0.00000 0.00000 0.16000 0.31000 0.00000 -0.48000 0.00000 -0.14000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_12.PDB 2.73176 -6.26000 -0.65000 -0.61000 -6.18000 -0.36000 4.05000 -9.26000 2.64000 3.18000 1.79000 0.00000 0.00000 0.00000 0.11000 0.43000 0.00000 -0.61000 0.00000 -0.36000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_13.PDB 3.20945 -5.46000 -0.65000 -0.61000 -6.34000 -0.25000 4.34000 -9.40000 2.82000 3.39000 1.73000 0.00000 0.00000 0.00000 0.16000 0.33000 0.00000 -0.47000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_14.PDB 2.77242 -5.71000 -0.65000 -0.90000 -6.33000 -0.99000 4.89000 -9.08000 2.84000 3.95000 1.62000 0.00000 0.00000 0.00000 0.14000 0.25000 0.00000 -0.56000 0.00000 -0.65000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_15.PDB 2.80261 -6.05000 -0.65000 -0.89000 -6.11000 -1.09000 4.70000 -8.81000 2.75000 3.75000 1.57000 0.00000 0.00000 0.00000 0.11000 0.29000 0.00000 -0.56000 0.00000 -0.81000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_16.PDB 2.90504 -6.51000 -0.65000 -0.88000 -6.25000 -1.11000 4.78000 -9.02000 2.64000 3.76000 1.60000 0.00000 0.00000 0.00000 0.10000 0.34000 0.00000 -0.65000 0.00000 -0.84000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_17.PDB 2.72781 -6.19000 -0.65000 -0.61000 -6.87000 -0.38000 4.67000 -10.07000 2.74000 3.77000 2.22000 0.00000 0.00000 0.00000 0.11000 0.47000 0.00000 -0.74000 0.00000 -0.39000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_18.PDB 2.53786 -5.88000 -0.68000 -0.61000 -6.46000 -0.22000 4.39000 -9.61000 2.71000 3.48000 1.81000 0.00000 0.00000 0.00000 0.12000 0.38000 0.00000 -0.61000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_19.PDB 3.27803 -5.65000 -0.66000 -0.61000 -6.07000 -0.24000 4.04000 -9.10000 2.79000 3.09000 1.68000 0.00000 0.00000 0.00000 0.17000 0.44000 0.00000 -0.55000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_20.PDB 2.84686 -5.80000 -0.65000 -0.88000 -6.07000 -0.98000 4.64000 -8.82000 2.85000 3.69000 1.52000 0.00000 0.00000 0.00000 0.15000 0.34000 0.00000 -0.56000 0.00000 -0.70000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_21.PDB 3.43749 -5.56000 -0.64000 -1.22000 -6.22000 -0.11000 4.23000 -9.25000 3.06000 3.58000 1.85000 0.00000 0.00000 0.00000 0.13000 0.24000 0.00000 -0.91000 0.00000 -0.06000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_22.PDB 3.23997 -5.67000 -0.65000 -0.62000 -6.40000 -0.20000 4.26000 -9.54000 2.82000 3.48000 1.78000 0.00000 0.00000 0.00000 0.18000 0.25000 0.00000 -0.62000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_23.PDB 2.84109 -4.70000 -0.65000 -0.61000 -5.53000 -0.31000 3.89000 -8.36000 2.70000 2.89000 1.98000 0.00000 0.00000 0.00000 0.12000 0.32000 0.00000 -0.40000 0.00000 -0.41000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_24.PDB 2.50841 -6.48000 -0.66000 -0.88000 -6.43000 -1.14000 4.97000 -9.27000 2.52000 4.04000 1.76000 0.00000 0.00000 0.00000 0.11000 0.31000 0.00000 -0.61000 0.00000 -0.89000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_25.PDB 2.67341 -5.62000 -0.65000 -0.61000 -5.97000 -0.30000 4.05000 -8.89000 2.70000 3.05000 1.75000 0.00000 0.00000 0.00000 0.10000 0.34000 0.00000 -0.60000 0.00000 -0.25000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_26.PDB 2.86835 -5.25000 -0.64000 -0.61000 -6.17000 -0.13000 4.30000 -9.16000 2.77000 3.37000 1.55000 0.00000 0.00000 0.00000 0.13000 0.28000 0.00000 -0.58000 0.00000 -0.06000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_27.PDB 2.68121 -4.76000 -0.65000 -0.61000 -5.66000 -0.31000 3.91000 -8.51000 2.68000 2.98000 2.04000 0.00000 0.00000 0.00000 0.11000 0.26000 0.00000 -0.36000 0.00000 -0.38000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_28.PDB 2.82308 -5.92000 -0.64000 -0.61000 -6.25000 -0.29000 4.25000 -9.33000 2.64000 3.41000 1.91000 0.00000 0.00000 0.00000 0.09000 0.23000 0.00000 -0.81000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_29.PDB 2.65413 -6.07000 -0.65000 -1.19000 -6.43000 -0.22000 4.29000 -9.55000 3.01000 3.59000 2.20000 0.00000 0.00000 0.00000 0.10000 0.44000 0.00000 -1.03000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1YNZ-23_30.PDB 2.86755 -5.17000 -0.65000 -0.61000 -6.21000 -0.23000 4.30000 -9.16000 3.04000 3.30000 1.73000 0.00000 0.00000 0.00000 0.13000 0.24000 0.00000 -0.61000 0.00000 -0.20000 0.00000 2.38000 64.00000