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_1ZX6-8_1.PDB 1.10797 -6.15000 -0.03000 0.00000 -5.89000 -0.20000 4.28000 -8.38000 0.05000 2.54000 2.02000 0.00000 0.00000 0.00000 0.11000 0.32000 0.00000 -0.38000 0.00000 -0.27000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_2.PDB 1.33681 -5.04000 -1.47000 -1.44000 -6.64000 -0.19000 6.28000 -8.26000 1.24000 3.66000 2.35000 0.00000 0.00000 0.00000 0.18000 0.39000 0.00000 -0.45000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_3.PDB 2.00812 -6.04000 -0.92000 -0.86000 -5.99000 -0.39000 4.75000 -8.35000 0.06000 3.57000 2.81000 0.00000 0.00000 0.00000 0.07000 0.33000 0.00000 -0.34000 0.00000 -0.46000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_4.PDB 1.98333 -5.00000 -0.88000 -2.54000 -6.30000 -0.69000 7.00000 -7.85000 0.09000 4.13000 2.83000 0.00000 0.00000 0.00000 0.30000 0.24000 0.00000 -0.46000 0.00000 -0.63000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_5.PDB 1.55505 -3.99000 -0.03000 -1.34000 -5.61000 -0.26000 4.86000 -7.59000 0.35000 3.20000 2.75000 0.00000 0.00000 0.00000 0.06000 0.20000 0.00000 -0.02000 0.00000 -0.36000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_6.PDB 1.25037 -5.29000 -0.00000 0.00000 -5.77000 -0.26000 4.26000 -8.26000 0.20000 2.40000 2.64000 0.00000 0.00000 0.00000 0.08000 0.34000 0.00000 -0.23000 0.00000 -0.35000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_7.PDB 1.28500 -5.12000 -0.04000 0.00000 -6.00000 -0.27000 4.57000 -8.40000 0.08000 2.64000 2.70000 0.00000 0.00000 0.00000 0.17000 0.33000 0.00000 -0.21000 0.00000 -0.36000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_8.PDB 1.78503 -4.32000 -0.01000 0.00000 -6.33000 -0.28000 5.59000 -8.41000 0.32000 3.04000 2.40000 0.00000 0.00000 0.00000 0.23000 0.23000 0.00000 -0.52000 0.00000 -0.36000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_9.PDB 1.74714 -4.49000 0.00000 -0.77000 -7.31000 -0.49000 6.61000 -9.92000 1.46000 3.98000 2.69000 0.00000 0.00000 0.00000 0.14000 0.77000 0.00000 -0.44000 0.00000 -0.42000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_10.PDB 1.57065 -6.05000 0.00000 -0.76000 -7.55000 -0.44000 6.03000 -10.74000 1.53000 3.94000 2.27000 0.00000 0.00000 0.00000 0.26000 0.93000 0.00000 -0.24000 0.00000 -0.35000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_11.PDB 1.43202 -5.95000 0.00000 -0.00000 -5.84000 -0.21000 4.39000 -8.45000 0.15000 2.44000 1.98000 0.00000 0.00000 0.00000 0.09000 0.35000 0.00000 -0.22000 0.00000 -0.27000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_12.PDB 1.36145 -4.69000 0.00000 0.00000 -5.96000 -0.12000 4.37000 -8.51000 0.12000 2.65000 3.04000 0.00000 0.00000 0.00000 0.17000 0.31000 0.00000 -0.28000 0.00000 -0.15000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_13.PDB 1.20141 -4.03000 -0.03000 0.00000 -5.52000 -0.26000 4.87000 -7.47000 0.11000 2.48000 2.36000 0.00000 0.00000 0.00000 0.08000 0.21000 0.00000 -0.30000 0.00000 -0.35000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_14.PDB 1.35140 -5.16000 -1.50000 -1.44000 -6.69000 -0.21000 6.41000 -8.28000 1.10000 3.66000 2.39000 0.00000 0.00000 0.00000 0.11000 0.38000 0.00000 -0.41000 0.00000 -0.30000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_15.PDB 1.07606 -5.96000 0.00000 0.00000 -6.11000 -0.22000 4.65000 -8.78000 0.16000 2.60000 2.10000 0.00000 0.00000 0.00000 0.17000 0.36000 0.00000 -0.24000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_16.PDB 1.32838 -4.39000 -0.04000 -1.59000 -5.65000 -0.31000 5.08000 -7.54000 0.12000 3.55000 2.57000 0.00000 0.00000 0.00000 0.16000 0.20000 0.00000 -0.30000 0.00000 -0.44000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_17.PDB 1.48602 -5.23000 -0.00000 -0.00000 -7.49000 -0.19000 6.06000 -10.59000 1.46000 3.56000 2.15000 0.00000 0.00000 0.00000 0.23000 0.98000 0.00000 -0.26000 0.00000 -0.15000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_18.PDB 1.65909 -3.87000 -0.51000 -0.50000 -7.20000 -0.12000 6.52000 -9.68000 1.55000 3.94000 2.54000 0.00000 0.00000 0.00000 0.17000 0.75000 0.00000 -0.47000 0.00000 -0.11000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_19.PDB 1.09732 -5.32000 -0.04000 0.00000 -5.62000 -0.45000 4.40000 -7.80000 0.12000 2.41000 2.42000 0.00000 0.00000 0.00000 0.09000 0.32000 0.00000 -0.34000 0.00000 -0.52000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_20.PDB 1.23777 -5.57000 -0.85000 -0.81000 -6.10000 -0.23000 5.07000 -8.38000 0.13000 3.55000 2.44000 0.00000 0.00000 0.00000 0.14000 0.33000 0.00000 -0.23000 0.00000 -0.30000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_21.PDB 1.35389 -5.99000 0.00000 -0.81000 -7.49000 -0.46000 5.99000 -10.70000 1.48000 3.88000 2.58000 0.00000 0.00000 0.00000 0.16000 0.96000 0.00000 -0.25000 0.00000 -0.37000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_22.PDB 1.45514 -4.40000 -1.44000 -1.42000 -6.62000 -0.50000 6.85000 -7.91000 0.96000 3.75000 2.94000 0.00000 0.00000 0.00000 0.14000 0.41000 0.00000 -0.55000 0.00000 -0.60000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_23.PDB 2.14677 -5.19000 -0.82000 -1.64000 -6.48000 -0.61000 6.73000 -8.30000 0.15000 3.90000 2.76000 0.00000 0.00000 0.00000 0.27000 0.21000 0.00000 -0.56000 0.00000 -0.60000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_24.PDB 1.37794 -3.38000 -0.05000 0.00000 -5.91000 -0.22000 5.37000 -7.74000 0.13000 2.85000 2.62000 0.00000 0.00000 0.00000 0.12000 0.19000 0.00000 -0.29000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_25.PDB 1.75730 -5.48000 -0.89000 -3.09000 -7.81000 -0.53000 7.46000 -10.31000 1.61000 5.91000 2.80000 0.00000 0.00000 0.00000 0.22000 0.77000 0.00000 -0.40000 0.00000 -0.45000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_26.PDB 1.18009 -5.25000 -0.04000 0.00000 -5.88000 -0.14000 4.50000 -8.41000 0.12000 2.53000 2.47000 0.00000 0.00000 0.00000 0.10000 0.34000 0.00000 -0.31000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_27.PDB 1.15471 -5.63000 -0.03000 0.00000 -5.95000 -0.24000 4.48000 -8.48000 0.19000 2.47000 2.70000 0.00000 0.00000 0.00000 0.08000 0.34000 0.00000 -0.61000 0.00000 -0.24000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_28.PDB 1.27378 -5.36000 -0.03000 0.00000 -5.85000 -0.20000 4.25000 -8.30000 0.22000 2.48000 2.59000 0.00000 0.00000 0.00000 0.10000 0.34000 0.00000 -0.33000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_29.PDB 1.31377 -4.52000 -0.05000 -1.76000 -5.77000 -0.28000 5.09000 -7.62000 0.16000 3.58000 2.76000 0.00000 0.00000 0.00000 0.09000 0.20000 0.00000 -0.33000 0.00000 -0.39000 0.00000 2.38000 64.00000 PIN3_1ZX6-8_30.PDB 2.09083 -5.91000 -0.04000 -0.80000 -7.85000 -0.52000 6.49000 -11.07000 1.59000 4.26000 2.54000 0.00000 0.00000 0.00000 0.47000 0.96000 0.00000 -0.52000 0.00000 -0.44000 0.00000 2.38000 64.00000