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_1ZX6-19_1.PDB 3.20786 -7.10000 -1.47000 -2.17000 -9.83000 -1.39000 10.00000 -12.86000 2.00000 6.39000 4.08000 0.00000 0.00000 0.00000 0.11000 1.04000 0.00000 -1.08000 0.00000 -0.88000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_2.PDB 3.91388 -8.48000 -2.25000 -3.01000 -10.75000 -1.26000 11.09000 -13.75000 1.97000 7.18000 3.82000 0.00000 0.00000 0.00000 0.30000 1.01000 0.00000 -1.07000 0.00000 -0.75000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_3.PDB 3.73398 -6.25000 -0.66000 -1.44000 -10.26000 -1.40000 10.24000 -13.62000 2.27000 5.69000 4.02000 0.00000 0.00000 0.00000 0.26000 1.06000 0.00000 -0.53000 0.00000 -0.82000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_4.PDB 3.60090 -8.29000 -2.30000 -3.07000 -10.96000 -1.36000 11.68000 -13.80000 2.05000 7.22000 3.69000 0.00000 0.00000 0.00000 0.29000 1.11000 0.00000 -0.99000 0.00000 -0.74000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_5.PDB 3.56396 -7.26000 -2.27000 -3.07000 -10.80000 -1.66000 12.50000 -13.68000 2.20000 6.96000 4.16000 0.00000 0.00000 0.00000 0.15000 0.99000 0.00000 -0.81000 0.00000 -0.93000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_6.PDB 3.52601 -8.29000 -2.28000 -3.08000 -10.69000 -1.53000 11.52000 -13.40000 1.92000 7.10000 3.67000 0.00000 0.00000 0.00000 0.23000 1.03000 0.00000 -0.79000 0.00000 -0.97000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_7.PDB 3.20475 -6.23000 -1.56000 -2.26000 -10.15000 -1.17000 10.97000 -12.82000 2.00000 6.27000 3.74000 0.00000 0.00000 0.00000 0.13000 1.17000 0.00000 -0.80000 0.00000 -0.58000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_8.PDB 3.67030 -8.55000 -2.26000 -2.98000 -10.66000 -1.48000 11.23000 -13.49000 1.88000 7.09000 3.59000 0.00000 0.00000 0.00000 0.26000 1.09000 0.00000 -0.79000 0.00000 -0.94000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_9.PDB 3.50239 -7.59000 -2.37000 -3.04000 -10.75000 -1.33000 11.61000 -13.55000 1.91000 7.53000 4.06000 0.00000 0.00000 0.00000 0.18000 1.04000 0.00000 -1.10000 0.00000 -0.73000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_10.PDB 3.95034 -8.12000 -2.34000 -4.79000 -11.24000 -0.56000 11.54000 -14.16000 2.35000 8.03000 4.30000 0.00000 0.00000 0.00000 0.14000 1.21000 0.00000 -0.91000 0.00000 -0.49000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_11.PDB 3.84042 -8.62000 -1.42000 -3.08000 -11.01000 -0.02000 10.23000 -14.50000 2.04000 6.11000 3.63000 0.00000 0.00000 0.00000 0.26000 1.01000 0.00000 -0.77000 0.00000 -0.09000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_12.PDB 3.31193 -7.06000 -3.03000 -3.85000 -10.58000 -1.70000 12.99000 -12.89000 2.10000 7.37000 4.07000 0.00000 0.00000 0.00000 0.13000 1.17000 0.00000 -0.72000 0.00000 -0.95000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_13.PDB 3.38049 -7.08000 -2.03000 -3.78000 -10.68000 -0.52000 11.20000 -13.90000 2.11000 6.92000 4.53000 0.00000 0.00000 0.00000 0.14000 1.00000 0.00000 -0.57000 0.00000 -0.50000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_14.PDB 3.13723 -6.87000 -0.68000 -2.37000 -10.49000 -0.07000 9.48000 -14.18000 2.05000 5.62000 4.12000 0.00000 0.00000 0.00000 0.19000 1.07000 0.00000 -0.39000 0.00000 -0.15000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_15.PDB 3.96969 -8.58000 -2.25000 -3.94000 -11.29000 -0.34000 10.81000 -14.56000 2.21000 7.32000 3.95000 0.00000 0.00000 0.00000 0.30000 1.10000 0.00000 -0.45000 0.00000 -0.34000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_16.PDB 3.18034 -5.85000 -0.66000 -1.40000 -9.63000 -1.15000 9.89000 -12.92000 2.00000 5.28000 3.91000 0.00000 0.00000 0.00000 0.20000 0.88000 0.00000 -0.80000 0.00000 -0.56000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_17.PDB 3.65485 -8.70000 -2.05000 -3.79000 -10.86000 -0.66000 10.65000 -13.86000 2.29000 7.10000 3.74000 0.00000 0.00000 0.00000 0.23000 0.93000 0.00000 -0.77000 0.00000 -0.73000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_18.PDB 3.31903 -7.76000 -2.11000 -2.86000 -10.38000 -1.19000 10.83000 -13.17000 1.94000 6.70000 3.72000 0.00000 0.00000 0.00000 0.22000 1.22000 0.00000 -0.78000 0.00000 -0.68000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_19.PDB 3.39086 -7.65000 -1.40000 -3.08000 -11.16000 -0.16000 10.59000 -14.57000 2.63000 6.31000 3.79000 0.00000 0.00000 0.00000 0.23000 1.04000 0.00000 -0.61000 0.00000 -0.24000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_20.PDB 3.97158 -8.96000 -2.62000 -3.44000 -11.18000 -1.68000 12.84000 -14.18000 1.85000 7.43000 3.62000 0.00000 0.00000 0.00000 0.22000 0.79000 0.00000 -0.88000 0.00000 -0.95000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_21.PDB 3.24042 -7.42000 -2.01000 -2.77000 -10.00000 -1.51000 10.81000 -12.67000 1.92000 6.59000 3.91000 0.00000 0.00000 0.00000 0.13000 1.20000 0.00000 -0.82000 0.00000 -0.99000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_22.PDB 3.34371 -5.54000 -0.66000 -1.46000 -9.77000 -1.23000 10.20000 -12.73000 1.98000 5.14000 3.97000 0.00000 0.00000 0.00000 0.15000 1.04000 0.00000 -0.49000 0.00000 -0.64000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_23.PDB 3.24807 -6.75000 -0.66000 -2.35000 -10.09000 -0.26000 9.30000 -13.54000 2.28000 5.40000 4.00000 0.00000 0.00000 0.00000 0.11000 0.93000 0.00000 -0.65000 0.00000 -0.30000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_24.PDB 3.50743 -7.30000 -2.45000 -3.16000 -10.17000 -1.43000 11.11000 -12.94000 1.97000 7.23000 4.07000 0.00000 0.00000 0.00000 0.13000 0.87000 0.00000 -0.79000 0.00000 -0.88000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_25.PDB 3.35756 -7.12000 -1.41000 -2.21000 -9.75000 -1.20000 10.46000 -12.35000 1.91000 5.43000 2.99000 0.00000 0.00000 0.00000 0.26000 1.08000 0.00000 -0.67000 0.00000 -0.58000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_26.PDB 3.58202 -7.67000 -2.27000 -3.03000 -10.08000 -1.33000 10.97000 -12.58000 1.98000 6.44000 3.37000 0.00000 0.00000 0.00000 0.27000 1.26000 0.00000 -0.70000 0.00000 -0.72000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_27.PDB 3.22800 -5.77000 -0.67000 -1.39000 -9.34000 -1.10000 9.58000 -12.51000 1.93000 5.12000 3.74000 0.00000 0.00000 0.00000 0.14000 0.84000 0.00000 -0.69000 0.00000 -0.59000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_28.PDB 3.24581 -7.24000 -2.41000 -3.16000 -10.21000 -1.49000 11.12000 -12.97000 2.38000 7.41000 4.07000 0.00000 0.00000 0.00000 0.17000 0.94000 0.00000 -1.23000 0.00000 -0.92000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_29.PDB 3.24289 -8.30000 -3.00000 -4.70000 -11.64000 -0.57000 12.62000 -14.79000 2.05000 8.21000 4.61000 0.00000 0.00000 0.00000 0.17000 1.14000 0.00000 -0.76000 0.00000 -0.51000 0.00000 2.38000 65.00000 PIN3_1ZX6-19_30.PDB 3.22024 -5.91000 -0.70000 -1.37000 -9.95000 -1.21000 10.14000 -13.30000 2.20000 5.50000 3.89000 0.00000 0.00000 0.00000 0.18000 0.93000 0.00000 -0.67000 0.00000 -0.62000 0.00000 2.38000 65.00000